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2XAA

Alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541 at pH 8.5 in complex with NAD and butane-1,4-diol

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 Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 1346
ChainResidue
ACYS38
ASER40
AHIS62
AASP153
ANAD503

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1347
ChainResidue
ACYS92
ACYS95
ACYS98
ACYS106

site_idAC3
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NAD A 503
ChainResidue
ACYS38
AHIS39
ASER40
AASP153
ATHR157
AGLY181
AGLY182
ALEU183
AASP203
ALEU204
AARG208
ASER223
APHE246
AVAL247
AVAL269
AILE271
APRO293
ATYR294
ATRP295
AARG340
AZN1346
AHOH2010
DPHE281

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1346
ChainResidue
BCYS38
BSER40
BHIS62
BASP153
BNAD503
BBU11347

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BU1 B 1347
ChainResidue
BSER40
BILE271
BNAD503
BZN1346

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 1348
ChainResidue
BCYS92
BCYS95
BCYS98
BCYS106

site_idAC7
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAD B 503
ChainResidue
BHIS39
BSER40
BASP153
BTHR157
BGLY179
BVAL180
BGLY181
BGLY182
BLEU183
BASP203
BLEU204
BARG208
BSER223
BPHE246
BVAL247
BTHR252
BVAL269
BGLY270
BILE271
BPRO293
BTYR294
BTRP295
BLEU332
BARG340
BZN1346
BBU11347
BHOH2039
CPHE281

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN C 1346
ChainResidue
CCYS38
CSER40
CHIS62
CASP153
CNAD503
CBU11348

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 1347
ChainResidue
CCYS92
CCYS95
CCYS98
CCYS106

site_idBC1
Number of Residues29
DetailsBINDING SITE FOR RESIDUE NAD C 503
ChainResidue
CSER223
CPHE246
CVAL247
CVAL269
CGLY270
CILE271
CPRO293
CTYR294
CTRP295
CLEU332
CARG340
CZN1346
CBU11348
CHOH2038
BPHE281
CHIS39
CSER40
CASP153
CTHR157
CILE178
CGLY179
CVAL180
CGLY181
CGLY182
CLEU183
CVAL202
CASP203
CLEU204
CARG208

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN D 1346
ChainResidue
DCYS38
DSER40
DHIS62
DASP153
DNAD503
DBU11347

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE BU1 D 1347
ChainResidue
DSER40
DHIS62
DASP153
DNAD503
DZN1346

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 1348
ChainResidue
DCYS92
DCYS95
DCYS98
DCYS106

site_idBC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAD D 503
ChainResidue
DHIS39
DSER40
DASP153
DGLY179
DVAL180
DGLY181
DGLY182
DLEU183
DASP203
DLEU204
DARG208
DSER223
DPHE246
DVAL247
DVAL269
DGLY270
DILE271
DPRO293
DTYR294
DTRP295
DARG340
DZN1346
DBU11347
DHOH2015
DHOH2020
DHOH2036
DHOH2037

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BU1 C 1348
ChainResidue
CSER40
CILE271
CNAD503
CZN1346

Functional Information from PROSITE/UniProt
site_idPS00059
Number of Residues15
DetailsADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEgVGTvaelGegV
ChainResidueDetails
AGLY61-VAL75

223166

PDB entries from 2024-07-31

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