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1B8Y

X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008237molecular_functionmetallopeptidase activity
A0008270molecular_functionzinc ion binding
A0031012cellular_componentextracellular matrix
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 301
ChainResidue
AHIS201
AHIS205
AHIS211
AIN7502

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 302
ChainResidue
AHIS151
AASP153
AHIS166
AHIS179

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 303
ChainResidue
AASP158
AGLY159
AGLY161
AVAL163
AASP181
AGLU184

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 304
ChainResidue
AASP141
AGLY173
AASN175
AASP177
AHOH403
AHOH404

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 305
ChainResidue
AASP107
AASP182
AGLU184
AHOH401

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 501
ChainResidue
APRO109
APRO109
ALYS110
ALYS110
AHOH444

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE IN7 A 502
ChainResidue
ALEU164
AALA165
AHIS201
AGLU202
AHIS211
AALA217
ALEU218
ATYR220
APRO221
ALEU222
ATYR223
AHIS224
AZN301
AHOH406

site_idCA1
Number of Residues6
DetailsCA1 IS THE FIRST CALCIUM BINDING SITE OF CA 303.
ChainResidue
AASP158
AGLY159
AGLY161
AVAL163
AASP181
AGLU184

site_idCA2
Number of Residues6
DetailsCA2 IS THE SECOND CALCIUM BINDING SITE OF CA 304.
ChainResidue
AASP141
AGLY173
AASN175
AASP177
AHOH403
AHOH404

site_idCA3
Number of Residues4
DetailsCA3 IS THE THIRD CALCIUM BINDING SITE OF CA 305.
ChainResidue
AASP107
AASP182
AGLU184
AHOH401

site_idIN7
Number of Residues1
DetailsIN7 IS THE BINDING SITE FOR THE DIPHENYLPIPERIDINE SULFONAMIDE INHIBITOR.
ChainResidue
AIN7502

site_idZN1
Number of Residues4
DetailsZN1 IS THE CATALYTIC ZINC BINDING SITE OF ZN 301.
ChainResidue
AHIS201
AHIS205
AHIS211
AIN7502

site_idZN2
Number of Residues4
DetailsZN2 IS THE STRUCTURAL ZINC BINDING SITE OF ZN 302.
ChainResidue
AHIS151
AASP153
AHIS166
AHIS179

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEIGHSL
ChainResidueDetails
AVAL198-LEU207

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE:
ChainResidueDetails
AGLU202

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING:
ChainResidueDetails
AASP107
AGLY173
AASN175
AASP177
AHIS179
AASP181
AASP182
AGLU184
AASP141
AHIS151
AASP153
AASP158
AGLY159
AGLY161
AVAL163
AHIS166

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000269|PubMed:8740360
ChainResidueDetails
AHIS201
AHIS205
AHIS211

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 591
ChainResidueDetails
AHIS201metal ligand
AGLU202proton acceptor, proton donor
AHIS205metal ligand
AHIS211metal ligand

218853

PDB entries from 2024-04-24

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