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4FJ1

Crystal Structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and genistein

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016491molecular_functionoxidoreductase activity
A0016614molecular_functionoxidoreductase activity, acting on CH-OH group of donors
B0000166molecular_functionnucleotide binding
B0016491molecular_functionoxidoreductase activity
B0016614molecular_functionoxidoreductase activity, acting on CH-OH group of donors
C0000166molecular_functionnucleotide binding
C0016491molecular_functionoxidoreductase activity
C0016614molecular_functionoxidoreductase activity, acting on CH-OH group of donors
D0000166molecular_functionnucleotide binding
D0016491molecular_functionoxidoreductase activity
D0016614molecular_functionoxidoreductase activity, acting on CH-OH group of donors
Functional Information from PDB Data
site_idAC1
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP A 301
ChainResidue
AGLY25
AILE77
AARG78
AASN103
ASER104
AGLY105
ALEU126
ATHR151
ASER152
ATYR167
ALYS171
AARG28
APRO197
AGLY198
AGLY199
ATHR200
ATHR202
AASP203
AMET204
AHOH409
AHOH424
AHOH435
AGLY29
AHOH469
AILE30
ATYR49
AALA50
AASN51
ASER52
AASP76

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 302
ChainResidue
AASN154
APHE159
AGLY198
AGLY199

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DMS A 303
ChainResidue
AHIS211
ATYR212
AILE213

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS A 304
ChainResidue
ALYS74
AALA75
AGLU82
ALYS85
AGLN89

site_idAC5
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP B 301
ChainResidue
BGLY25
BARG28
BGLY29
BILE30
BTYR49
BALA50
BASN51
BSER52
BASP76
BILE77
BARG78
BASN103
BSER104
BGLY105
BLEU126
BTHR151
BSER152
BSER153
BTYR167
BLYS171
BPRO197
BGLY198
BGLY199
BTHR200
BTHR202
BMET204
BGEN302
BHOH414
BHOH427
BHOH450
BHOH458

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE GEN B 302
ChainResidue
BPHE159
BGLY199
BMET204
BPHE205
BVAL208
BSER209
BTYR212
BILE213
BMET227
BALA228
BNAP301
BDMS303
BHOH476
BHOH480

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS B 303
ChainResidue
BASN154
BGLY198
BGLY199
BGEN302

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS B 304
ChainResidue
BGLY14
BGLU254
BHOH473
DPRO13

site_idAC9
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP C 301
ChainResidue
CTYR49
CALA50
CASN51
CSER52
CALA75
CASP76
CILE77
CARG78
CASN103
CSER104
CGLY105
CLEU126
CTHR151
CSER152
CSER153
CTYR167
CLYS171
CPRO197
CGLY198
CGLY199
CTHR200
CTHR202
CMET204
CHOH403
CHOH421
CHOH436
CHOH453
CHOH471
CGLY25
CARG28
CGLY29
CILE30

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DMS C 302
ChainResidue
CASN154
CPHE159
CGLY199

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS C 303
ChainResidue
CLYS19
CGLY145
CARG147
CVAL251
CHOH425
CHOH452

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS C 304
ChainResidue
CASP114
CVAL115
CTHR116
CGLU119
CHOH467

site_idBC4
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP D 301
ChainResidue
DGLY25
DARG28
DGLY29
DILE30
DTYR49
DALA50
DASN51
DSER52
DASP76
DILE77
DARG78
DASN103
DSER104
DGLY105
DLEU126
DTHR151
DSER152
DSER153
DTYR167
DLYS171
DPRO197
DGLY198
DGLY199
DTHR200
DTHR202
DMET204
DGEN302
DHOH406
DHOH436
DHOH466
DHOH484
DHOH486

site_idBC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE GEN D 302
ChainResidue
DPHE159
DGLY199
DMET204
DPHE205
DVAL208
DSER209
DTYR212
DILE213
DMET227
DALA228
DNAP301
DDMS303
DHOH481

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS D 303
ChainResidue
DASN154
DPHE159
DGLY198
DGLY199
DALA228
DGEN302

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS D 304
ChainResidue
DLYS74
DALA75
DGLU82
DLYS85
DLEU86
DGLN89

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS D 305
ChainResidue
DPRO162
DHIS211
DILE213
DPRO214

site_idBC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DMS D 306
ChainResidue
DARG140
DLEU142
DLYS188

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. NtskdfsvpkHslYSGSKGAVdSFVrIFS
ChainResidueDetails
AASN154-SER182

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PDB entries from 2024-06-12

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