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3WDS

Crystal structure of 3-quinuclidinone reductase from Agrobacterium tumefaciens

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016491molecular_functionoxidoreductase activity
B0000166molecular_functionnucleotide binding
B0016491molecular_functionoxidoreductase activity
C0000166molecular_functionnucleotide binding
C0016491molecular_functionoxidoreductase activity
D0000166molecular_functionnucleotide binding
D0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAD A 301
ChainResidue
ASER18
AASN90
AALA91
AGLY92
ATHR141
AALA142
ASER143
ATYR156
ALYS160
APRO186
AGLY187
ALYS19
AVAL189
ATHR191
AMET193
AARG196
AHOH409
AHOH419
AHOH431
AHOH484
AHOH485
AHOH503
AGLY20
AHOH509
AILE21
AASP40
ALEU41
AVAL62
AASP63
AVAL64

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE ACY A 302
ChainResidue
AASN252
AVAL253
ATHR254
AGLY255
AGLY256
AARG258
BPHE245
BMET246
BTHR247
BGLN249

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 303
ChainResidue
AGLU61
ASER69
AHOH454

site_idAC4
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAD B 301
ChainResidue
BGLY16
BSER18
BLYS19
BGLY20
BILE21
BASP40
BLEU41
BVAL62
BASP63
BVAL64
BASN90
BALA91
BGLY92
BTHR141
BALA142
BSER143
BTYR156
BLYS160
BPRO186
BGLY187
BVAL189
BTHR191
BMET193
BARG196
BHOH410
BHOH433
BHOH489

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ACY B 302
ChainResidue
APHE245
AMET246
ATHR247
AGLN249
BASN252
BVAL253
BTHR254
BGLY255
BGLY256

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE ACY D 301
ChainResidue
CPHE245
CMET246
CTHR247
CGLN249
DASN252
DVAL253
DTHR254
DGLY255
DGLY256
DARG258

site_idAC7
Number of Residues29
DetailsBINDING SITE FOR RESIDUE NAD C 301
ChainResidue
CASN90
CALA91
CGLY92
CTHR141
CALA142
CSER143
CTYR156
CLYS160
CGLY187
CVAL189
CTHR191
CMET193
CARG196
CHOH404
CHOH468
CHOH481
CHOH484
CHOH486
CHOH554
CGLY16
CSER18
CLYS19
CGLY20
CILE21
CASP40
CLEU41
CVAL62
CASP63
CVAL64

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE ACY C 302
ChainResidue
CASN252
CVAL253
CTHR254
CGLY255
CGLY256
CARG258
DPHE245
DMET246
DTHR247
DGLN249

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. SlaakvgaplLahYSASKFAVfGWTqALA
ChainResidueDetails
ASER143-ALA171

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PDB entries from 2024-06-12

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