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3NUV

Crystal structure of ketosteroid isomerase D38ND99N from Pseudomonas testosteroni (tKSI) with 4-Androstene-3,17-dione Bound

Functional Information from GO Data
ChainGOidnamespacecontents
A0004769molecular_functionsteroid delta-isomerase activity
A0008202biological_processsteroid metabolic process
A0016853molecular_functionisomerase activity
B0004769molecular_functionsteroid delta-isomerase activity
B0008202biological_processsteroid metabolic process
B0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE ASD A 126
ChainResidue
ATYR14
AASN99
AMET112
AALA114
APHE116
AHOH217
AASN38
APHE54
ASER58
ALEU63
APHE82
AVAL84
APHE86
APRO97

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 127
ChainResidue
AHIS122
AALA123

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE ASD B 126
ChainResidue
AMET1
AASN2
AGLY105
BTYR14
BASN38
BSER58
BLEU63
BPHE82
BVAL84
BPRO97
BASN99
BMET112
BALA114

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 127
ChainResidue
AASN104
AGLY105
BARG45
BPHE54
BASN57
BHOH188

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 128
ChainResidue
BILE121
BHIS122
BALA123

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 129
ChainResidue
AALA79
AILE98
AHIS100
BALA79
BILE98
BASN99
BHIS100
BHOH218
BHOH228

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 130
ChainResidue
AHOH224
BHIS100
BARG113
BHOH228

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor
ChainResidueDetails
ATYR14
BTYR14

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000269|PubMed:3480517
ChainResidueDetails
AASN38
BASN38

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING:
ChainResidueDetails
AASN99
BASN99

221371

PDB entries from 2024-06-19

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