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3FLF

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 2000
ChainResidue
AASP138
AGLU177
AASP185
AGLU187
AGLU190
AHOH2268

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 2001
ChainResidue
AGLU190
AHOH2220
AHOH2269
AGLU177
AASN183
AASP185

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 2002
ChainResidue
AASP57
AASP59
AGLN61
AHOH2270
AHOH2271
AHOH2281

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 2003
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH2272
AHOH2273

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2004
ChainResidue
AHIS142
AHIS146
AGLU166
AUB33000

site_idAC6
Number of Residues17
DetailsBINDING SITE FOR RESIDUE UB3 A 3000
ChainResidue
ATYR106
AASN111
AASN112
AALA113
ATRP115
AHIS142
AGLU143
AHIS146
ATYR157
AGLU166
AARG203
AHIS231
AZN2004
AHOH2227
AHOH2233
AHOH2309
AGOL5000

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 5000
ChainResidue
APHE114
ATRP115
AHIS146
ATYR157
AHOH2106
AHOH2248
AUB33000

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 6000
ChainResidue
AGLY109
ATYR110
AASN111
AASN112
AHOH2277
AHOH2303

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

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PDB entries from 2024-07-24

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