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3NN7

Crystal structure of Thermolysin in complex with 2-bromoacetate

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 401
ChainResidue
AHIS142
AHIS146
AGLU166
AHOH1001
AHOH1018

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 501
ChainResidue
AGLU190
AHOH1089
AASP138
AGLU177
AASP185
AGLU187

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 502
ChainResidue
AASP57
AASP59
AGLN61
AHOH1003
AHOH1044
AHOH1128

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 503
ChainResidue
ATYR193
ATHR194
AILE197
AASP200
AHOH1068

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 504
ChainResidue
AGLU177
AASN183
AASP185
AGLU190

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE BXA A 601
ChainResidue
AASN112
AALA113
AHIS142
AGLU143
AILE188
AARG203
AHOH1018
AHOH1085

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 2024-11-06

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