triangle PDBeMotif: 1klu  
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Classification immune system/toxin    | release date: Wed, Dec 12, 2001
Title crystal structure of hla-dr1/tpi(23-37) complexed with staphylococcal enterotoxin c3 variant 3b2 (sec3-3b2)
Authors A.SETTE, E.J.SUNDBERG, J.SIDNEY, M.W.SAWICKI, P.S.ANDERSEN, R.A.MARIUZZA
Method X-RAY DIFFRACTION (resolution: 1.93Å)
PDBe Citation   
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPIT
NVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDC
RVEHWGLDEPLLKHWEFDA
Chain B sequence:
GDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCR
HNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVM
LETVPRSGEVYTCQVEHPSVTSPLTVEWRA
Chain C sequence:
GELIGTLNAAKVPAD
Chain D sequence:
ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDE
VVDVYGSNYYVNCYFSSKDNVGKVTGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELD
IKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DRALPHA CHAIN;
member of: CATH:search2.60.40.10/search3.10.320.10GENE3D:searchG3DSA_2.60.40.10/searchG3DSA_3.10.320.10PANTHER:searchPTHR19944/searchPTHR19944_SF27PFAM:searchPF00993/searchPF07654PROSITE PATTERNS:searchPS00290, PROSITE PROFILES:searchPS50835, SMART:searchSM00407/searchSM00920SUPERFAMILY:searchSSF48726/searchSSF54452UniProt:searchP01903
sec str:  ...eeeeeeeeeee...eeeeeeee..eeeeeee....eeee...hhhhhee..hhhhhhhhhhhhhhhhhhhhhh..........eeeeee.........eeeeeeeeee.....eeeeee..eee....ee...ee.....eeeeeeeee......eeeeeee.......eeeeee...
sequence :  ..EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDA
seq num:  ..4         14        24        34        44        54        64        74        84        94        104       114       124       134       144       154       164       174      
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..          |  | |      |  |     | || ||     ||||||     |    |      |   ||||||               |  |  |            | | ^***      |||||   |   | |||           |  | | |   |  |            
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE ..          |  | |      |  |     | |**^*     ||||||     |    |      |   ||||||               |  |  |            | |           |||||   |   | |||           |  | | |   |  |            
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..          |  | |      |  |     | || |      ||||||     |    |      |   ^**|||               |  |  |            | |           |||||   |   | |||           |  | | |   |  |            
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..          |  | |      |  |     | || |      ||||||     |    |      |   || |||               ^***  |            | |           |||||   |   | |||           ^*** | |   |  |            
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..          |  | |      |  |     | || |      ||||||     ^*****      |   || |||                  |  |            | |           |||^*****   | |||                | |   |  |            
search RasMol script viewer Motif-ligand binding stats  IG_MHC ..          |  | |      |  |     | || |      ||||||                 |   || |||                  |  |            | |           ||| |       | |||                **^****  |            
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..          |  | |      |  |     | || |      ******                 |   || |||                  |  |            | |           ||| |       | |||                      |  |            
search RasMol script viewer Motif-ligand binding stats  asxturn ..          |  | |      |  |     ***| |      ||||||                 |   || |||                  |  |            | |           ||| |       | ***                      |  |            
search RasMol script viewer Motif-ligand binding stats  betabulgeloop ..          ******      |  |        | |      ||||||                 |   || |||                  |  |            | |           ||| |       | |||                      |  |            
search RasMol script viewer Motif-ligand binding stats  betaturn ..             | |      ****        | |      *****|                 |   |****|                  ****            | |           ||| |       ****|                      ****            
search RasMol script viewer Motif-ligand binding stats  gammaturn ..             | |                  | |        |  |                 |   |  | |                  |  |            ***           ||| |         | |                      |  |            
search RasMol script viewer Motif-ligand binding stats  nest ..             ***                  ***        |  |                 |   |  ***                  |  |                          ||| |         ***                      |  |            
search RasMol script viewer Motif-ligand binding stats  niche ..                                             ****                 |   |    |                  ****                          *****                                  ****            
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..                                                                  |   ******                                                                                                       
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                                  *****                                                                                                            

chain B : HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR-1BETA CHAIN;
member of: CATH:search2.60.40.10/search3.10.320.10GENE3D:searchG3DSA_2.60.40.10/searchG3DSA_3.10.320.10PANTHER:searchPTHR19944/searchPTHR19944_SF42PFAM:searchPF00969/searchPF07654PRODOM:searchPD000328PROSITE PATTERNS:searchPS00290, PROSITE PROFILES:searchPS50835, SMART:searchSM00407/searchSM00921SUPERFAMILY:searchSSF48726/searchSSF54452UniProt:searchP04229
sec str:  ........eeeeeeeeeeee....eeeeeeeee....eeeeee.....eee.hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.......eeeeee.........eeeeeeeeee.....eeeeee..ee....eee...ee.....eeeeeeeee......eeeeeee.......eeeeee.
sequence :  ..GDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA
seq num:  ..1         11        21        31        41        51        61        71        81        91        101       111       121       131       141       151       161       171       181       
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION .. | |              ^***| |      || | | | | |||||             | ||||      |  ||      | |  ||  |          | | | |        |  | | |            | || | |   |||||           |  | | |   |  |          
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE .. | |               |^** |      || | ^** | |||||             | ^**|      |  ||      | |  ||  |          | | | |        |  | | |            | || | |   |||||           |  | | |   |  |          
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE .. | |               |  | |      || |   | | |||||             | ^***      |  ||      | |  ||  |          | | | |        |  | | |            | || | |   |||||           |  | | |   |  |          
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE .. | |               |  | *******^| |   ********^             |  |        |  ||      | |  ||  |          | | | |        |  | | |            | || | |   |||||           |  | | |   |  |          
search RasMol script viewer Motif-ligand binding stats  MYRISTYL .. | |               |  |         | |     | ||||              |  |        |  ||      ^*****|  |          | | | |        |  | | |            | ^*****   |||||           |  | | |   |  |          
search RasMol script viewer Motif-ligand binding stats  IG_MHC .. | |               |  |         | |     | ||||              |  |        |  ||        |   |  |          | | | |        |  | | |            |  | | |   |||||           |  | **^****  |          
search RasMol script viewer Motif-ligand binding stats  alphabetamotif .. | |               |  |         | |     *****|              |  |        *****        |   |  |          | | | |        |  | | |            |  | | |   |||||           |  |       |  |          
search RasMol script viewer Motif-ligand binding stats  asxmotif .. | |               |  |         | |     *****|              |  |        |  |         |   |  |          | | | |        |  | | |            |  | | |   |||||           |  |       |  |          
search RasMol script viewer Motif-ligand binding stats  asxturn .. ***               |  |         | |     ***| |              |  |        |  |         |   |  |          | | | |        |  | | |            |  | | |   |||||           |  |       |  |          
search RasMol script viewer Motif-ligand binding stats  betaturn .. | |               |  |         | |     **** |              ****        ****         |   ****          | | | |        |  | | |            |  | | |   |||||           ****       |  |          
search RasMol script viewer Motif-ligand binding stats  gammaturn .. | |               |  |         | |        | |                                       |   |  |          | | ***        |  | | |            |  | | |   |||||           |  |       |  |          
search RasMol script viewer Motif-ligand binding stats  nest .. | |               |  |         | |        ***                                       |   |  |          | |            |  | | |            |  | | |   *****           |  |       |  |          
search RasMol script viewer Motif-ligand binding stats  niche .. ***               ****         ***                                                  |   ****          | |            **** ***            **** | |                   ****       ****          
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                                                     *****             | |                                     | |                                            
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                       ***                                     ***                                            

chain C : TRIOSEPHOSPHATE ISOMERASE PEPTIDE
member of: GENE3D:searchG3DSA_3.20.20.70HAMAP:searchMF_00147_BPANTHER:searchPTHR21139PFAM:searchPF00121PROSITE PROFILES:searchPS51440, SUPERFAMILY:searchSSF51351TIGRFAMS:searchTIGR00419UniProt:searchP60174
sec str:  ...ee............
sequence :  ..GELIGTLNAAKVPAD
seq num:  ..23        33   
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..    ^*****     

chain D : ENTEROTOXIN TYPE C-3
member of: CATH:search2.40.50.110/search3.10.20.120GENE3D:searchG3DSA_2.40.50.110/searchG3DSA_3.10.20.120PFAM:searchPF01123/searchPF02876PRINTS:searchBACTRLTOXIN/searchSAGSUPRFAMLYPROSITE PATTERNS:searchPS00277/searchPS00278, SUPERFAMILY:searchSSF50203/searchSSF54334UniProt:searchP0A0L5
sec str:  ........hhhhh.hhhhh...hhhhhhhhh...eeeeee.........eeeee..........eeeee..hhhhhhhhhh..eeeee..............eeeee..eee...........eeeeeeeee..eeeeeeeeee...eeehhhhhhhhhhhhhhhhh..........eeeeeee.....eeeee.........hhhhhhhhhhhh.eee....eeeeeee....
sequence :  ..ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFS..GGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
seq num:  ..1         11        21        31        41        51        61        71        81        91    ..106       116       126       136       146       156       166       176       186       196       206       216       226       236 
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION .. |  | || || || || | |  ||| ||  |            |  |   ^***| ||||        |   |  |  |        ||| |  |..|  | ||   || ||||| ||    |       | ||      | |   |  |            ||||    | ||       | |||    | |       |   |     |^*** | |||     | |  
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE .. |  | || || || || | |  ||| ||  |            |  |     | | ||||        |   |  |  |        ||| |  |..|  | ||   || ||||| ||    |       **^*      | |   |  |            ||||    | ||       | |||    | |       |   |     | |   | |||     | |  
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE .. |  | || || || || | |  ||| ||  |            |  |     ^** ||||        |   |  |  |        ||| |  ^..|  | ||   || ||||| ||    |                 ^**   |  |            ||||    | ||       | |||    | |       |   |     | |   | ^**     ^**  
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE .. ^*** || || || || | |  ||| ||  |            |  |         ||||        |   |  |  |        ||| |  ^..|  | ||   ^***|||| ||    |                 | |   ^***            ||||    ^***       | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..      || || || || | |  |*******^            |  |         ||||        |   |  |  |        ||| |   ..|  | ||    | ||||| ||    |                 | |                   ||||    | |        | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..      || || || || ^*****|| ||               |  |         ||||        |   |  |  |        ||| |   ..^*****|    | ||||| |^*****                 | |                   ||||    | |        | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  ATP_GTP_A ..      || || || ||   |  ||| ||               |  |         ||||        |   |  |  |        ||| |   ..****  |    | ||||| |                       | |                   ||||    | |        | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  STAPH_STREP_TOXIN_1 ..      || || || ||   |  ||| ||               |  |         ||||        |   |  |  |        ||| |   ..      **********|| |                       | |                   ||||    | |        | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  STAPH_STREP_TOXIN_2 ..      || || || ||   |  ||| ||               |  |         ||||        |   |  |  |        ||| |   ..           | || || |                       | ************************    | |        | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..      || || || ||   *********               |  |         ||||        |   |  |  |        ||| |   ..           | || || |                       | |                   ||||    | |        | |||    | |       |   |     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  asxmotif ..      || || || ||   |  ||| ||               |  |         ||||        *****  |  |        ||| |   ..           | || || |                       | |                   ||||    | |        | |||    | |       *****     | |   |  |           
search RasMol script viewer Motif-ligand binding stats  asxturn ..      || || || ||   |  ||| ||               |  |         ||||               |  |        ||| |   ..           | || || |                       | |                   ||||    | |        | |||    ***                 | |   |  |           
search RasMol script viewer Motif-ligand binding stats  betabulgeloop ..      || || || ||   |  ||| ||               |  |         ||||               |  |        ||| |   ..           | || || |                       | |                   ||||    | |        *****    | |                 | |   |  |           
search RasMol script viewer Motif-ligand binding stats  betaturn ..      ****| *****   ********|               |  |         ||||               |  |        ||| |   ..           | || || |                       | |                   ||||    | |        ****|    | |                 | |   |  |           
search RasMol script viewer Motif-ligand binding stats  gammaturn ..       |  |  |  |        |  |               |  |         ||||               |  |        ||| |   ..           | || |***                       | |                   ||||    | |          | |    | |                 | |   |  |           
search RasMol script viewer Motif-ligand binding stats  nest ..       |  |  |  |        |  |               |  |         ****               |  |        ||| |   ..           | |***                          | |                   ****    | |          ***    | |                 ***   |  |           
search RasMol script viewer Motif-ligand binding stats  niche ..       ****  ****        ****               ****                            ****        *****   ..           ***                             | |                           ***                 ***                       ****           
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                ..                                           ***                           ***                                                          

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