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2WHZ

Dipeptide Inhibitors of Thermolysin

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1317
ChainResidue
AHIS142
AHIS146
AGLU166
AHOH2351

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1318
ChainResidue
AHOH2232
AASP138
AGLU177
AASP185
AGLU187
AGLU190

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1319
ChainResidue
AGLU177
AASN183
AASP185
AGLU190
AHOH2240
AHOH2241

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1320
ChainResidue
AASP57
AASP59
AGLN61
AHOH2109
AHOH2112
AHOH2128

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1321
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH2236
AHOH2243

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ILE A 1001
ChainResidue
AASN112
AALA113
AHIS142
AGLU143
AARG203
AHIS231
ATYR1002
AHOH2351

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TYR A 1002
ChainResidue
AASN111
AASN112
APHE130
AHIS231
AILE1001
APEG1324
AHOH2352
AHOH2353

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PEG A 1324
ChainResidue
AGLY109
ATYR110
AASN111
AASN112
AGLN158
ATYR1002
AHOH2186
AHOH2187

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

218853

PDB entries from 2024-04-24

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