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3NHX

Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound

Functional Information from GO Data
ChainGOidnamespacecontents
A0004769molecular_functionsteroid Delta-isomerase activity
A0006629biological_processlipid metabolic process
A0008202biological_processsteroid metabolic process
A0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ASD A 126
ChainResidue
AMET1
ATYR14
AASP38
APHE86
AASN99
AMET112
APHE116
AHOH246

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 127
ChainResidue
AGLY47
ATHR48
AALA49
AHOH199
AHOH257
AASP32

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 128
ChainResidue
AHIS122
AALA123
AHOH160

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 129
ChainResidue
AARG45
AASN57
AGLY105

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 130
ChainResidue
AHIS100
AARG102
ASER111
AARG113
ASO4132
ASO4132
ASO4136
AHOH190

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 131
ChainResidue
AARG102
ASER111

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 132
ChainResidue
AHIS100
AARG102
AARG102
AARG113
ASO4130
ASO4130
ASO4133
ASO4136

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 133
ChainResidue
AALA79
AILE98
AASN99
AHIS100
AARG113
ALEU115
ASO4132
ASO4136

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 134
ChainResidue
AHIS6
AARG13
ATYR88
AHOH137
AHOH222
AHOH250
AHOH266

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 135
ChainResidue
ALEU67
ATHR68
AGLN69
AHOH170
AHOH172
AHOH173
AHOH260

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 136
ChainResidue
AGLU77
AHIS100
AHIS100
AARG102
AARG113
ASO4130
ASO4132
ASO4133

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor
ChainResidueDetails
ATYR14

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000269|PubMed:3480517
ChainResidueDetails
AASP38

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING:
ChainResidueDetails
AASN99

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PDB entries from 2025-06-11

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