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4FJ0

Crystal structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and 3,7-dihydroxy flavone

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
AARG78
AASN103
ASER104
AGLY105
ALEU126
ATHR151
ASER152
ATYR167
ALYS171
APRO197
AARG28
AGLY198
AGLY199
ATHR200
ATHR202
AASP203
AMET204
AHOH409
AHOH433
AHOH454
AHOH455
AGLY29
AHOH456
AILE30
AALA50
AASN51
ASER52
AASP76
AILE77

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

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 303
ChainResidue
ALYS19
AGLY145
AVAL251
ALYS253

site_idAC4
Number of Residues30
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
BTYR167
BLYS171
BPRO197
BGLY198
BGLY199
BTHR200
BTHR202
BMET204
BHHF302
BHOH406
BHOH407
BHOH433
BHOH438

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HHF B 302
ChainResidue
BSER153
BASN154
BTHR155
BPRO197
BGLY199
BMET204
BPHE205
BVAL208
BSER209
BTYR212
BALA228
BNAP301
BEDO303

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 303
ChainResidue
BASN154
BGLY198
BGLY199
BALA269
BHHF302

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 304
ChainResidue
BGLY145
BARG147
BVAL251

site_idAC8
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP C 301
ChainResidue
CARG78
CASN103
CSER104
CGLY105
CLEU126
CTHR151
CSER152
CTYR167
CLYS171
CPRO197
CGLY198
CGLY199
CTHR200
CTHR202
CMET204
CHOH403
CHOH419
CHOH425
CHOH445
CHOH472
CGLY25
CARG28
CGLY29
CILE30
CTYR49
CALA50
CASN51
CSER52
CASP76
CILE77

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO C 302
ChainResidue
CASN154
CGLY199
CALA269

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO C 303
ChainResidue
CLYS19
CGLY145
CVAL251

site_idBC2
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
DTYR167
DLYS171
DPRO197
DGLY198
DGLY199
DTHR200
DTHR202
DMET204
DHHF302
DHOH403
DHOH423
DHOH428
DHOH453
DHOH462
DHOH467

site_idBC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HHF D 302
ChainResidue
DSER153
DASN154
DTHR155
DPRO197
DGLY199
DMET204
DPHE205
DVAL208
DSER209
DTYR212
DALA228
DNAP301
DEDO303

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO D 303
ChainResidue
DASN154
DPHE159
DGLY199
DALA269
DHHF302

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO D 304
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 2024-07-24

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