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3MYT

Crystal structure of Ketosteroid Isomerase D38HD99N from Pseudomonas testosteroni (tKSI)

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
C0004769molecular_functionsteroid delta-isomerase activity
C0008202biological_processsteroid metabolic process
C0016853molecular_functionisomerase activity
D0004769molecular_functionsteroid delta-isomerase activity
D0008202biological_processsteroid metabolic process
D0016853molecular_functionisomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 126
ChainResidue
AHIS6
AARG13

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE EQU A 127
ChainResidue
APHE116
DTYR88
DGLN89
DARG91
DHOH134
ATYR14
AHIS38
AVAL84
APHE86
AVAL95
APRO97
AASN99

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 128
ChainResidue
AGLN89
DTYR14
DPHE54
DSER58
DVAL84
DMET112
DHOH150

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 126
ChainResidue
AHOH413
BHIS6
BARG13
BHOH371

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 127
ChainResidue
BASN104
BGLY105
BHOH156

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 128
ChainResidue
BARG102
BSER111
BHOH416

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE EQU B 129
ChainResidue
BGLN89
BHOH277
CTYR14
CLEU18
CHIS38
CPHE54
CVAL84
CPHE86
CASN99
CMET112
CPHE116

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 130
ChainResidue
BASN2
BPRO4
BALA73
BVAL74
BALA75
BHOH396
DHOH417

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 126
ChainResidue
CARG45
CGLU53
CPHE54
CASN57

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 C 127
ChainResidue
BARG91
BHOH400
CARG91
CTHR93
CALA123
CHOH143

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 C 128
ChainResidue
CHIS122
CALA123

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 129
ChainResidue
AHIS100
CHIS100
CARG102
CARG113

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 C 130
ChainResidue
CMET1
CASN76

site_idBC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE EQU C 131
ChainResidue
BTYR14
BHIS38
BPHE54
BPHE86
BVAL95
BASN99
BPHE116
CTYR88
CGLN89
CARG91
CHOH399

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL C 132
ChainResidue
CASP24
CVAL27
CALA28
CARG52
DGLU43

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 D 126
ChainResidue
DHIS6
DARG13
DSO4131
DGOL132
DHOH162

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 D 127
ChainResidue
DASN104
DGLY105
DHOH159

site_idBC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 D 128
ChainResidue
DHIS122
DALA123

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 129
ChainResidue
BARG113
DHIS100
DARG102
DARG113

site_idCC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 D 130
ChainResidue
DMET1
DASN76

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 D 131
ChainResidue
DALA9
DARG13
DASN19
DSO4126
DHOH164
DHOH290

site_idCC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL D 132
ChainResidue
DALA9
DASN19
DLEU63
DALA64
DVAL65
DSO4126

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton donor
ChainResidueDetails
ATYR14
BTYR14
CTYR14
DTYR14

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000269|PubMed:3480517
ChainResidueDetails
AHIS38
BHIS38
CHIS38
DHIS38

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AASN99
BASN99
CASN99
DASN99

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PDB entries from 2024-07-17

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