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3PGX

Crystal structure of a putative carveol dehydrogenase from Mycobacterium paratuberculosis bound to nicotinamide adenine dinucleotide

Functional Information from GO Data
ChainGOidnamespacecontents
A0016491molecular_functionoxidoreductase activity
B0016491molecular_functionoxidoreductase activity
C0016491molecular_functionoxidoreductase activity
D0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAD A 277
ChainResidue
AGLY18
AASP81
AVAL82
AASN108
AALA109
AGLY110
AVAL111
AVAL131
AVAL159
ASER160
ATYR174
AARG21
ALYS178
APRO204
ASER206
AVAL207
ATHR209
APRO210
AMET211
AILE212
AHOH298
AHOH303
AGLY22
AHOH311
AHOH397
AGLN23
AASP42
AILE43
AVAL47
AALA56
ALEU80

site_idAC2
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAD B 277
ChainResidue
BGLY18
BARG21
BGLN23
BASP42
BILE43
BVAL47
BALA56
BLEU80
BASP81
BVAL82
BASN108
BALA109
BGLY110
BVAL111
BVAL131
BVAL159
BSER160
BSER161
BTYR174
BLYS178
BPRO204
BSER206
BVAL207
BTHR209
BPRO210
BMET211
BILE212
BHOH284
BHOH292
BHOH302
BHOH323
BHOH503

site_idAC3
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAD C 277
ChainResidue
CGLY18
CARG21
CGLY22
CGLN23
CASP42
CILE43
CVAL47
CALA56
CLEU80
CASP81
CVAL82
CASN108
CALA109
CGLY110
CVAL111
CVAL131
CVAL159
CSER160
CSER161
CTYR174
CLYS178
CPRO204
CSER206
CVAL207
CTHR209
CPRO210
CMET211
CILE212
CHOH313
CHOH326
CHOH377
CHOH748
CHOH753

site_idAC4
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAD D 277
ChainResidue
DGLN23
DASP42
DILE43
DVAL47
DALA56
DLEU80
DASP81
DVAL82
DASN108
DALA109
DGLY110
DVAL111
DVAL131
DVAL159
DSER160
DSER161
DTYR174
DLYS178
DPRO204
DSER206
DVAL207
DTHR209
DPRO210
DMET211
DILE212
DHOH278
DHOH301
DHOH369
DHOH752
DHOH782
DGLY18
DARG21
DGLY22

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. SsaglkatpgNghYSASKHGLtALTnTLA
ChainResidueDetails
ASER161-ALA189

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10001
ChainResidueDetails
ATYR174
BTYR174
CTYR174
DTYR174

site_idSWS_FT_FI2
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|Ref.2
ChainResidueDetails
ALYS178
AVAL207
BARG21
BASP42
BASP81
BASN108
BLYS178
BVAL207
CARG21
CASP42
CASP81
CASN108
CLYS178
CVAL207
DARG21
DASP42
DASP81
DASN108
DLYS178
DVAL207
AARG21
AASP42
AASP81
AASN108

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ASER161
BSER161
CSER161
DSER161

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PDB entries from 2024-06-12

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