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3M8C

Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin 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
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 Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 126
ChainResidue
AGLU87
ATYR88
AGLN89
AGLY90
AHOH493
AHOH561

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 127
ChainResidue
BARG113
AHIS100
AARG113
BHIS100

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 128
ChainResidue
AHIS6
AARG13
AHOH350

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 129
ChainResidue
AHIS122
AALA123

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 130
ChainResidue
AASN104
AGLY105
AHOH547

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 126
ChainResidue
BASN104
BGLY105
BHOH311

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 127
ChainResidue
BARG91
BALA123
BHOH152
BHOH294
DARG91
DTHR93

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 128
ChainResidue
BARG102
BSER111
BHOH362

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 129
ChainResidue
BILE121
BHIS122
BALA123
BHOH367

site_idBC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE EQU B 130
ChainResidue
BTYR14
BLEU18
BASP38
BPHE54
BPHE86
BASN99
BMET112
BPHE116
BHOH237
DTYR88
DGLN89
DARG91

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 C 126
ChainResidue
BHIS6
BARG13
CHOH249
CHOH304

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 127
ChainResidue
CHIS6
CARG13
CHOH513

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 C 128
ChainResidue
CHIS122
CALA123

site_idBC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE EQU C 129
ChainResidue
ATYR88
AGLN89
AARG91
AHOH134
CTYR14
CLEU18
CPHE54
CVAL84
CPHE86
CVAL95
CASN99
CMET112
CPHE116

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 D 126
ChainResidue
DHIS122
DALA123

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 D 127
ChainResidue
DHIS6
DARG13
DHOH407

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 D 128
ChainResidue
DASN104
DGLY105
DHOH354

site_idBC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE EQU D 129
ChainResidue
BTYR88
BGLN89
DTYR14
DLEU18
DASP38
DPHE54
DVAL84
DPHE86
DASN99
DMET112
DPHE116
DHOH138

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
AASP38
BASP38
CASP38
DASP38

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AASN99
BASN99
CASN99
DASN99

226707

PDB entries from 2024-10-30

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