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2VDG

Barley Aldose Reductase 1 complex with butanol

Functional Information from GO Data
ChainGOidnamespacecontents
A0004032molecular_functionaldose reductase (NADPH) activity
A0005829cellular_componentcytosol
A0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NDP A1321
ChainResidue
AGLY30
AGLN188
ATYR214
ASER215
APRO216
ALEU217
AGLY218
ASER219
ASER220
AASN223
AALA225
ATHR31
AILE257
APRO258
ALYS259
ASER260
ASER261
ALYS262
AARG265
AGLU268
AASN269
ALEU295
ATRP32
A1BO1325
AHOH2015
AHOH2222
AHOH2223
AHOH2224
AHOH2225
AASP55
ATYR60
ALYS88
AHIS121
ACYS166
AASN167

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A1322
ChainResidue
AVAL170
AASN174
ALYS206
AHOH2146

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A1323
ChainResidue
ALYS262
AARG265
AHOH2225

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A1324
ChainResidue
ATHR171
AASN174
AARG178
AHOH2124

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 1BO A1325
ChainResidue
ATRP32
AGLU59
ATYR60
ATRP122
AASN235
AASN238
ALEU295
ANDP1321

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 1BO A1326
ChainResidue
AGLU135
AALA136
AASN303
AHIS306
AHOH2123
AHOH2175

Functional Information from PROSITE/UniProt
site_idPS00062
Number of Residues18
DetailsALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MenlvkdglVKDIGVCNY
ChainResidueDetails
AMET151-TYR168

site_idPS00063
Number of Residues16
DetailsALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSSKdeRIkENiQV
ChainResidueDetails
AILE257-VAL272

site_idPS00798
Number of Residues18
DetailsALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRHVDTAaeygvEkeVG
ChainResidueDetails
AGLY50-GLY67

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000250
ChainResidueDetails
ATYR60

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ASER215
AHIS121

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Lowers pKa of active site Tyr => ECO:0000250
ChainResidueDetails
ALYS88

221051

PDB entries from 2024-06-12

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