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3QWI

Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol

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 271
ChainResidue
AGLY25
AILE77
AARG78
AASN103
ASER104
AGLY105
ALEU126
ATHR151
ASER152
ASER153
ATYR167
AARG28
ALYS171
APRO197
AGLY198
AGLY199
ATHR200
ATHR202
AMET204
ACUE272
AHOH313
AHOH327
AGLY29
AHOH366
AILE30
AALA50
AASN51
ASER52
AALA75
AASP76

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CUE A 272
ChainResidue
AASN154
APHE159
AGLY199
AMET204
ATYR212
AILE213
AMET227
AALA228
ANAP271

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 273
ChainResidue
AASP242
AASN245

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 274
ChainResidue
AALA92

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 275
ChainResidue
ASER160
ATYR212
AEDO276

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 276
ChainResidue
APRO162
AHIS211
AEDO275

site_idAC7
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP B 271
ChainResidue
BGLY25
BARG28
BGLY29
BILE30
BTYR49
BALA50
BASN51
BSER52
BALA75
BASP76
BILE77
BARG78
BASN103
BSER104
BGLY105
BLEU126
BTHR151
BSER152
BTYR167
BLYS171
BPRO197
BGLY198
BGLY199
BTHR200
BTHR202
BMET204
BCUE272
BHOH287
BHOH289
BHOH294
BHOH318
BHOH320
BHOH329

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE CUE B 272
ChainResidue
BASN154
BPHE159
BGLY199
BMET204
BPHE205
BTYR212
BILE213
BMET227
BALA228
BNAP271
BHOH306

site_idAC9
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP C 271
ChainResidue
CALA75
CASP76
CILE77
CARG78
CASN103
CSER104
CGLY105
CLEU126
CTHR151
CSER152
CSER153
CTYR167
CLYS171
CPRO197
CGLY198
CGLY199
CTHR200
CTHR202
CMET204
CHOH276
CHOH280
CHOH288
CHOH300
CHOH323
CGLY25
CARG28
CGLY29
CILE30
CALA50
CASN51
CSER52

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO C 272
ChainResidue
CLYS19
CGLY145
CARG147
CVAL251
CLYS253

site_idBC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO C 273
ChainResidue
CSER160

site_idBC3
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP D 271
ChainResidue
DGLY25
DARG28
DGLY29
DILE30
DALA50
DASN51
DSER52
DASP76
DILE77
DARG78
DASN103
DSER104
DGLY105
DLEU126
DTHR151
DSER152
DTYR167
DLYS171
DPRO197
DGLY198
DGLY199
DTHR200
DTHR202
DMET204
DCUE272
DHOH290
DHOH302
DHOH320
DHOH386
DHOH420

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE CUE D 272
ChainResidue
DASN154
DPHE159
DGLY199
DPHE205
DTYR212
DMET227
DALA228
DNAP271
DHOH416

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO D 273
ChainResidue
DARG236
DASP242

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO D 274
ChainResidue
DLYS74
DGLU82
DLYS85
DGLN89

site_idBC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO D 275
ChainResidue
DARG122

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

221051

PDB entries from 2024-06-12

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