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3FVP

Thermolysin inhibition

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 317
ChainResidue
AASP138
AGLU177
AASP185
AGLU187
AGLU190
AHOH1479

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 318
ChainResidue
AGLU190
AHOH1570
AHOH1599
AGLU177
AASN183
AASP185

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 319
ChainResidue
AASP57
AASP59
AGLN61
AHOH1530
AHOH1601
AHOH1602

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 320
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH1589
AHOH1604

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 321
ChainResidue
AHIS142
AHIS146
AGLU166
AUB2323

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 322
ChainResidue
APHE114
ATRP115
AGLU143
AHIS146
ATYR157
AUB2323
AHOH1422
AHOH1426
AHOH1448

site_idAC7
Number of Residues19
DetailsBINDING SITE FOR RESIDUE UB2 A 323
ChainResidue
ATYR106
AASN111
AASN112
AALA113
ATRP115
AHIS142
AGLU143
AHIS146
ATYR157
AGLU166
AARG203
AHIS231
AZN321
AGOL322
ADMS324
ADMS324
AHOH1485
AHOH1549
AHOH1616

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 324
ChainResidue
ATYR110
AASN112
APHE114
AUB2323
AUB2323

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 325
ChainResidue
AGLY109
ATYR110
AASN111
AASN112
AASN227
AHOH1457
AHOH1481
AHOH1576
AHOH1622

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL A 326
ChainResidue
AGLY247
AGLY248
AVAL255
AGLN273
ATYR274
ALEU275
AHOH1482
AHOH1507
AHOH1569
AHOH1628
AHOH1653

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 327
ChainResidue
ATYR66
AHIS216
ATYR251
AHOH1643

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VVAHELTHAV
ChainResidueDetails
AVAL139-VAL148

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703
ChainResidueDetails
AGLU143

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703
ChainResidueDetails
AHIS231

site_idSWS_FT_FI3
Number of Residues16
DetailsBINDING:
ChainResidueDetails
AASP57
AASP185
AGLU187
AGLU190
ATYR193
ATHR194
AILE197
AASP200
AASP59
AGLN61
AASP138
AHIS142
AHIS146
AGLU166
AGLU177
AASN183

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 176
ChainResidueDetails
AHIS142metal ligand
AGLU143electrostatic stabiliser, metal ligand
AHIS146metal ligand
ATYR157electrostatic stabiliser, hydrogen bond donor, steric role
AGLU166metal ligand
AASP226activator, electrostatic stabiliser, hydrogen bond acceptor
AHIS231hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

222415

PDB entries from 2024-07-10

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