triangle PDBeMotif: 1h1b  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
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Enzyme   3.4.21.37
Classification hydrolase    | release date: Fri, Jul 5, 2002
Title crystal structure of human neutrophil elastase complexed with an inhibitor (gw475151)
Authors A.AMOUR, A.J.WONACOTT, C.R.MOLLOY, D.C.HUMPHREYS, G.D.E.CLARKE, G.FLEETWOOD, G.G.A.INGLIS, G.W.HARDY, L.A.HARRISON, M.D.DOWLE, M.DIXON, M.R.JOHNSON, O.M.P.SINGH, R.A.SMITH, R.E.GODWARD, S.J.F.MACDONALD, S.T.HODGSON
Method X-RAY DIFFRACTION (resolution: 2.00Å)
PDBe Citation   
Small molecules:    search NAG NAG binding statistics NAG   search 151 151 binding statistics 151   search FUC FUC binding statistics FUC
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B sequence:
IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGY
DPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTL
VRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQ
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 : LEUKOCYTE ELASTASE
member of: CATH:search2.40.10.10GENE3D:searchG3DSA_2.40.10.10PANTHER:searchPTHR24257/searchPTHR24257_SF16PFAM:searchPF00089PRINTS:searchCHYMOTRYPSINPROSITE PATTERNS:searchPS00134/searchPS00135, PROSITE PROFILES:searchPS50240, SMART:searchSM00020SUPERFAMILY:searchSSF50494UniProt:searchP08246
JMol viewer RasMol script viewer  FUC 412A  ..                                                * **                  *                                                                                                                                                   
JMol viewer RasMol script viewer  NAG 411A  ..                                                | ||                  |                       *                                                                                                                           
JMol viewer RasMol script viewer  FUC 402A  ..                                                | ||                  |                       |                         * *                                                      ****                                     
JMol viewer RasMol script viewer  NAG 401A  ..                                                | ||                  |                       |                         | |                    *                                 ||||                                     
JMol viewer RasMol script viewer  151 400A  ..                                        *       | ||                  |             *         |                         | |                    |                        **  *    ||||      ***                            
sec str:  ......ee........eeeeee..eeeeeeeeee..eeeehhhhhhh.hhh......................eeeeeeeee.........eeeee..........................eeeeee..............eeeeeee.........eeee...............eeee..eeeeeeee...........eeeee...hhhhhhhhhh
sequence :  ..IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQ
seq num:  ..16        26        36        47        57        65        74        84        95        105       115       125       135       145       156       167       185       193       205       217       226       236     
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  AMIDATION ..  ^*** | |||  |                |  | |   ||     |  |  |  | |  | |  |                | | |            | ||    | |^*** |  |         |                 | |  |  |          | |||||||  |                |||||             |  || 
search RasMol script viewer Motif-ligand binding stats  LEUCINE_ZIPPER ..       | |||  |                |  | |   ||     |  |  |  | |  | |  |                | | |            | ||    **********************                 | |  |  |          | |||||||  |                |||||             |  || 
search RasMol script viewer Motif-ligand binding stats  TRYPSIN_HIS ..       | |||  |                |  | ****^*     |  |  |  | |  | |  |                | | |            | ||      |  |  |  |                           | |  |  |          | |||||||  |                |||||             |  || 
search RasMol script viewer Motif-ligand binding stats  TRYPSIN_SER ..       | |||  |                |  |     |      |  |  |  | |  | |  |                | | |            | ||      |  |  |  |                           | |  |  |          ******^*****                |||||             |  || 
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  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  stturn ..                                        |                                              |                                                                                ||||||                     ***                    
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                        *                                              *                                                                                ******                                            

chain B : LEUKOCYTE ELASTASE
member of: CATH:search2.40.10.10GENE3D:searchG3DSA_2.40.10.10PANTHER:searchPTHR24257/searchPTHR24257_SF16PFAM:searchPF00089PRINTS:searchCHYMOTRYPSINPROSITE PATTERNS:searchPS00134/searchPS00135, PROSITE PROFILES:searchPS50240, SMART:searchSM00020SUPERFAMILY:searchSSF50494UniProt:searchP08246
JMol viewer RasMol script viewer  FUC 412B  ..                                                                      *                                                                                                                                                   
JMol viewer RasMol script viewer  NAG 411B  ..                                                                      *                       *                                                                                                                           
JMol viewer RasMol script viewer  FUC 402B  ..           *                                                          |                       |                         *                                                        ****                                     
JMol viewer RasMol script viewer  NAG 401B  ..    *      |                                                          |                       |                         |                      *                                 ||||                                     
JMol viewer RasMol script viewer  151 400B  ..    |      |                                                          |             *         |                         |                      |                        **  *    ||||      ***                            
sec str:  ......ee........eeeeee..eeeeeeeeee..eeeehhhhhh..hhhh.eeee............eeeeeeeeeeeee.........eeeee..........................eeeeee..............eeeeeeee........eeee...............eeee..eeeeeeee...........eeeee...hhhhhhhhhh
sequence :  ..IVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQ
seq num:  ..16        26        36        47        57        65        74        84        95        105       115       125       135       145       156       167       185       193       205       217       226       236     
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  AMIDATION ..  ^*** | |||  |                |  | |   ||    || ||  |  | |  | |  |                | | |            |  |    | |^*** |  |     | | |                 | |  |  |    |  |  | |||||||  |                |||||                   
search RasMol script viewer Motif-ligand binding stats  LEUCINE_ZIPPER ..       | |||  |                |  | |   ||    || ||  |  | |  | |  |                | | |            |  |    **********************                 | |  |  |    |  |  | |||||||  |                |||||                   
search RasMol script viewer Motif-ligand binding stats  TRYPSIN_HIS ..       | |||  |                |  | ****^*    || ||  |  | |  | |  |                | | |            |  |      |  |  |  |     | |                   | |  |  |    |  |  | |||||||  |                |||||                   
search RasMol script viewer Motif-ligand binding stats  TRYPSIN_SER ..       | |||  |                |  |     |     || ||  |  | |  | |  |                | | |            |  |      |  |  |  |     | |                   | |  |  |    |  |  ******^*****                |||||                   
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  stturn ..                                        |                                              |                                                                                ||||||                     ***                    
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                        *                                              *                                                                                ******                                            

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