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3QWH

Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus in complex with NADPH and kaempferol

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
AARG78
AASN103
ASER104
AGLY105
ALEU126
ATHR151
ASER152
ASER153
ATYR167
ALYS171
AARG28
APRO197
AGLY198
AGLY199
ATHR200
ATHR202
AASP203
AMET204
AKMP272
AHOH313
AHOH323
AGLY29
AHOH324
AILE30
AALA50
AASN51
ASER52
AASP76
AILE77

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE KMP A 272
ChainResidue
AASN154
APHE159
AGLY199
APHE205
AVAL208
ASER209
ATYR212
AILE213
AALA231
ANAP271

site_idAC3
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP B 271
ChainResidue
BGLY25
BARG28
BGLY29
BILE30
BALA50
BASN51
BSER52
BALA75
BASP76
BILE77
BASN103
BSER104
BGLY105
BLEU126
BTHR151
BSER152
BSER153
BTYR167
BLYS171
BPRO197
BGLY198
BGLY199
BTHR200
BTHR202
BASP203
BMET204
BKMP272
BHOH290
BHOH319
BHOH320
BHOH333
BHOH342

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE KMP B 272
ChainResidue
BASN154
BGLY198
BGLY199
BPHE205
BSER209
BTYR212
BILE213
BALA228
BNAP271

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG B 273
ChainResidue
BTYR49
BGLU57
BVAL60
BALA72
CTYR49
CLYS74

site_idAC6
Number of Residues29
DetailsBINDING SITE FOR RESIDUE NAP C 271
ChainResidue
CGLY105
CLEU126
CTHR151
CSER152
CTYR167
CLYS171
CPRO197
CGLY198
CGLY199
CTHR200
CTHR202
CMET204
CHOH299
CHOH301
CHOH302
CHOH312
CHOH329
CGLY25
CARG28
CGLY29
CILE30
CALA50
CASN51
CSER52
CASP76
CILE77
CARG78
CASN103
CSER104

site_idAC7
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAP D 271
ChainResidue
DGLY25
DARG28
DGLY29
DILE30
DALA50
DASN51
DSER52
DASP76
DILE77
DARG78
DASN103
DSER104
DGLY105
DLEU126
DTHR151
DSER152
DSER153
DTYR167
DLYS171
DPRO197
DGLY198
DGLY199
DTHR200
DTHR202
DMET204
DKMP272
DHOH308

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE KMP D 272
ChainResidue
DASN154
DGLY199
DPHE205
DSER209
DTYR212
DMET227
DALA228
DNAP271
DHOH277

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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