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3FV4

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
AHOH1411

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 318
ChainResidue
AGLU190
AHOH1621
AHOH1623
AGLU177
AASN183
AASP185

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 319
ChainResidue
AASP57
AASP59
AGLN61
AHOH1464
AHOH1625
AHOH1626

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 320
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH1574
AHOH1628

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 321
ChainResidue
AHIS142
AHIS146
AGLU166
A1U4322

site_idAC6
Number of Residues24
DetailsBINDING SITE FOR RESIDUE 1U4 A 322
ChainResidue
ATYR106
AASN111
AASN112
AALA113
APHE114
ATRP115
APHE130
AVAL139
AHIS142
AGLU143
AHIS146
ATYR157
AGLU166
AILE188
ALEU202
AARG203
AHIS231
AZN321
AGOL323
ADMS325
ADMS325
AHOH1515
AHOH1540
AHOH1584

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 323
ChainResidue
APHE114
ATRP115
AGLU143
AHIS146
ATYR157
A1U4322
AHOH1408
AHOH1463
AHOH1479

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 324
ChainResidue
AGLY109
ATYR110
AASN111
AASN112
AGLN158
AHOH1457
AHOH1513
AHOH1565
AHOH1658

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 325
ChainResidue
ATYR110
AASN112
APHE114
A1U4322
A1U4322

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 326
ChainResidue
ATYR66
AHIS216
ASER218
ATYR251
AHOH1600
AHOH1632

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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