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3W8D

Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0003858molecular_function3-hydroxybutyrate dehydrogenase activity
A0016491molecular_functionoxidoreductase activity
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAD A 301
ChainResidue
AGLY11
ALEU64
AASN90
AGLY92
ALEU113
AILE140
AALA141
ASER142
ATYR155
ALYS159
APRO185
ATHR13
AGLY186
ATRP187
AVAL188
ATHR190
APRO191
ALEU192
AVAL193
ADXX302
AHOH412
AHOH432
ASER14
AHOH534
AHOH564
AHOH570
AHOH583
AGLY15
AILE16
AASN34
APHE36
AALA62
AASP63

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE DXX A 302
ChainResidue
AGLN94
ASER142
AHIS144
ALYS152
ATYR155
ATRP187
ALEU192
AGLN196
ATRP257
ANAD301

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 303
ChainResidue
ASER149
AVAL150
ALYS219

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE NA A 304
ChainResidue
AVAL147
AVAL147
AARG260
AARG260
AHOH476
AHOH476
AHOH705
AHOH705

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NA A 305
ChainResidue
ALEU64
ASER65
AALA112
ASER116
AALA117
AHOH447
AHOH454

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 306
ChainResidue
AGLY4
ALYS6
AASP85
AHOH640

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. SahglvasvnKsaYVAAKHGVvGLTkVTA
ChainResidueDetails
ASER142-ALA170

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PDB entries from 2024-06-12

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