triangle PDBeMotif: 1klg  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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coner
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Classification immune system/toxin    | release date: Tue, Dec 11, 2001
Title crystal structure of hla-dr1/tpi(23-37, thr28-->ile mutant) 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: 2.40Å)
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
RVEHWGLDEPLLKHWEF
Chain B sequence:
GDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCR
HNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVM
LETVPRSGEVYTCQVEHPSVTSPLTVEWRA
Chain C sequence:
GELIGILNAAKVPAD
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:  ....eeeeeeeeee...eeeeeeee..eeeeeee....eeee...hhhhhee..hhhhhhhhhhhhhhhhhhhhhh..........eeeeee.........eeeeeeeeee.....eeeeee..ee.....ee...ee.....eeeeeeeee......eeeeeee.......eeeeee.
sequence :  ..EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEF
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  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........eee...ee.....eeeeeeeee......eeeeeee.......eeeeee.
sequence :  ..GDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQ..HHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA
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  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 :  ..GELIGILNAAKVPAD
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.........eeee...........eeeee..hhhhhhhhh...eeeee...............eeeee..eee...........eeeeeeeee..eeeeeeeeee...eeehhhhhhhhhhhhhhhhh..........eeeeeee.....eeeee.........hhhhhhhhhhhh.eee....eeeeeee....
sequence :  ..ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSK..GKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
seq num:  ..1         11        21        31        41        51        61        71        81        91      ..107       117       127       137       147       157       167       177       187       197       207       217       227          
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  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  stmotif ..                                                                                                  ..                                          | |   *****                   | |                                                          
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                  ..                                          ***                           ***                                                          

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