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1D5J

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008237molecular_functionmetallopeptidase activity
A0008270molecular_functionzinc ion binding
A0031012cellular_componentextracellular matrix
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008237molecular_functionmetallopeptidase activity
B0008270molecular_functionzinc ion binding
B0031012cellular_componentextracellular matrix
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 301
ChainResidue
AHIS201
AHIS205
AHIS211
AMM3401

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
AGLY159
AGLY161
AVAL163
AASP181
AGLU184
AASP158

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 304
ChainResidue
AASP107
AASP182
AGLU184
AHOH449

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 305
ChainResidue
AALA140
AASP141
AGLY173
AASN175
AASP177
AHOH408
AHOH412

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 801
ChainResidue
BHIS701
BHIS705
BHIS711
BMM3901

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 802
ChainResidue
BHIS651
BASP653
BHIS666
BHIS679

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA B 803
ChainResidue
BASP658
BGLY659
BGLY661
BVAL663
BASP681
BGLU684

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA B 804
ChainResidue
BHOH14
BHOH21
BASP607
BASP682
BGLU684

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA B 805
ChainResidue
BHOH16
BASP641
BGLY673
BASN675
BASP677

site_idBC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE MM3 A 401
ChainResidue
AASN162
AVAL163
ALEU164
AALA165
ALEU197
AVAL198
AHIS201
AGLU202
AHIS205
AHIS211
APRO221
ALEU222
ATYR223
AZN301

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE MM3 B 901
ChainResidue
BARG593
BVAL663
BLEU664
BALA665
BVAL698
BHIS701
BGLU702
BHIS705
BHIS711
BTYR723
BZN801

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 Residues2
DetailsActive site: {}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues32
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues6
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"8740360","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
AMET219
AGLU202

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
BGLU702
BMET719

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
AGLU202

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1hfs
ChainResidueDetails
BGLU702

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

site_idMCSA2
Number of Residues4
DetailsM-CSA 591
ChainResidueDetails
BHIS701metal ligand
BGLU702proton acceptor, proton donor
BHIS705metal ligand
BHIS711metal ligand

238895

PDB entries from 2025-07-16

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