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3WLE

Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with NAD

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004022molecular_functionalcohol dehydrogenase (NAD+) activity
A0008270molecular_functionzinc ion binding
A0016491molecular_functionoxidoreductase activity
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0004022molecular_functionalcohol dehydrogenase (NAD+) activity
B0008270molecular_functionzinc ion binding
B0016491molecular_functionoxidoreductase activity
B0046872molecular_functionmetal ion binding
C0000166molecular_functionnucleotide binding
C0004022molecular_functionalcohol dehydrogenase (NAD+) activity
C0008270molecular_functionzinc ion binding
C0016491molecular_functionoxidoreductase activity
C0046872molecular_functionmetal ion binding
D0000166molecular_functionnucleotide binding
D0004022molecular_functionalcohol dehydrogenase (NAD+) activity
D0008270molecular_functionzinc ion binding
D0016491molecular_functionoxidoreductase activity
D0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAD A 401
ChainResidue
ACYS44
AASP201
ALYS202
ALYS203
APHE237
AVAL238
AVAL260
AGLY261
ALEU262
ASER284
APHE285
AHIS45
ATRP286
ALEU323
AASN326
AARG331
AZN402
AHOH514
AHOH515
AHOH516
AHOH518
ASER46
AHIS49
AASP154
ATHR158
AGLY180
AGLY181
ALEU182

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 402
ChainResidue
ACYS44
ASER46
AHIS65
AASP154
ANAD401
AHOH501

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 403
ChainResidue
ACYS95
AGLY96
ACYS98
ACYS101
ACYS109

site_idAC4
Number of Residues37
DetailsBINDING SITE FOR RESIDUE NAD B 401
ChainResidue
BCYS44
BHIS45
BSER46
BHIS49
BASP154
BTHR158
BGLY180
BGLY181
BLEU182
BASP201
BLYS202
BLYS203
BALA206
BPHE237
BVAL238
BTHR243
BVAL260
BGLY261
BLEU262
BSER284
BPHE285
BTRP286
BLEU323
BASN326
BARG331
BZN402
BHOH501
BHOH520
BHOH521
BHOH522
BHOH524
BHOH587
BHOH588
BHOH650
BHOH651
BHOH667
BHOH734

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 402
ChainResidue
BCYS44
BSER46
BHIS65
BASP154
BNAD401
BHOH501

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 403
ChainResidue
BCYS95
BGLY96
BCYS98
BCYS101
BCYS109

site_idAC7
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAD C 401
ChainResidue
CPHE237
CVAL238
CVAL260
CGLY261
CLEU262
CSER284
CPHE285
CTRP286
CLEU323
CASN326
CARG331
CZN402
CHOH501
CHOH514
CHOH516
CHOH517
CHOH565
CHOH570
CHOH732
CHOH733
CCYS44
CHIS45
CSER46
CHIS49
CASP154
CTHR158
CGLY180
CGLY181
CLEU182
CASP201
CLYS202
CALA206

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN C 402
ChainResidue
CCYS44
CSER46
CHIS65
CASP154
CNAD401
CHOH501

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN C 403
ChainResidue
CCYS95
CGLY96
CCYS98
CCYS101
CCYS109

site_idBC1
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAD D 401
ChainResidue
BASN325
DCYS44
DHIS45
DSER46
DHIS49
DASP154
DTHR158
DGLY180
DGLY181
DLEU182
DASP201
DLYS202
DLYS203
DALA206
DPHE237
DVAL238
DVAL260
DGLY261
DLEU262
DSER284
DPHE285
DTRP286
DLEU323
DASN326
DARG331
DZN402
DHOH502
DHOH509
DHOH543
DHOH582
DHOH585
DHOH594
DHOH597
DHOH656

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN D 402
ChainResidue
DCYS44
DSER46
DHIS65
DASP154
DNAD401
DHOH502

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN D 403
ChainResidue
DCYS95
DGLY96
DCYS98
DCYS101
DCYS109

Functional Information from PROSITE/UniProt
site_idPS00059
Number of Residues15
DetailsADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEiAGTvaavGddV
ChainResidueDetails
AGLY64-VAL78

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PDB entries from 2024-10-30

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