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4GLO

Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NAD

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004316molecular_function3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
A0006004biological_processfucose metabolic process
A0016491molecular_functionoxidoreductase activity
A0019317biological_processfucose catabolic process
B0000166molecular_functionnucleotide binding
B0004316molecular_function3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
B0006004biological_processfucose metabolic process
B0016491molecular_functionoxidoreductase activity
B0019317biological_processfucose catabolic process
C0000166molecular_functionnucleotide binding
C0004316molecular_function3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
C0006004biological_processfucose metabolic process
C0016491molecular_functionoxidoreductase activity
C0019317biological_processfucose catabolic process
D0000166molecular_functionnucleotide binding
D0004316molecular_function3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
D0006004biological_processfucose metabolic process
D0016491molecular_functionoxidoreductase activity
D0019317biological_processfucose catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NAD A 301
ChainResidue
AGLY14
ATYR117
AILE138
ASER139
ATYR153
ALYS157
APRO183
AALA184
AVAL186
ALEU190
ASO4302
ASER17
AHOH435
AHOH436
AHOH472
AHOH473
AHOH488
AHOH538
AHOH632
AGLY18
AILE19
AARG39
AVAL62
AGLU63
ALEU64
AASN90

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 302
ChainResidue
AASN94
ASER140
ALYS141
ATHR142
AGLN147
ATYR153
AALA184
ANAD301
AHOH472
AHOH563

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 303
ChainResidue
AGLN65
AARG112
AHOH537
AHOH594
AHOH625

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 304
ChainResidue
AARG132
APHE198
AGLU199
AHOH534
AHOH599
AHOH633
DARG217
DHOH535

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 305
ChainResidue
ATHR220
APRO221
AASP222
AHOH610

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 306
ChainResidue
AALA143
AGLY158
BALA143
BGLY158

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 307
ChainResidue
ATHR145
ATYR250
ATHR251
AHOH433
CTHR251
CHIS252
CLEU253
CARG255
CEDO306

site_idAC8
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NAD B 301
ChainResidue
BGLY14
BSER17
BILE19
BARG39
BVAL62
BGLU63
BLEU64
BASN90
BTYR117
BILE138
BSER139
BSER140
BTYR153
BLYS157
BPRO183
BALA184
BVAL186
BLEU190
BSO4302
BHOH425
BHOH447
BHOH459
BHOH469
BHOH508
BHOH515
BHOH590

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 B 302
ChainResidue
BNAD301
BHOH469
BHOH654
BASN94
BSER140
BLYS141
BTHR142
BGLN147
BTYR153
BALA184

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 303
ChainResidue
BARG39
BGLN65
BARG112
BHOH503
BHOH617

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 304
ChainResidue
BTHR220
BPRO221
BASP222
BHOH510

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO B 305
ChainResidue
BTHR145
BTYR250
BTHR251
DTHR251
DHIS252
DLEU253
DARG255
DEDO305
DHOH420

site_idBC4
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAD C 301
ChainResidue
CGLY14
CSER17
CGLY18
CILE19
CGLY20
CARG39
CVAL62
CGLU63
CLEU64
CGLN65
CASN90
CTYR117
CILE138
CSER139
CSER140
CTYR153
CLYS157
CPRO183
CALA184
CGLU185
CVAL186
CTHR188
CPRO189
CSO4302
CHOH495
CHOH567
CHOH568

site_idBC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 C 302
ChainResidue
CASN94
CSER140
CLYS141
CTHR142
CGLN147
CTYR153
CALA184
CNAD301
CHOH488
CHOH494
CHOH495

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 303
ChainResidue
CARG39
CGLN65
CARG112

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL C 304
ChainResidue
CTHR220
CPRO221
CASP222
CHOH528
CHOH549

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO C 305
ChainResidue
CALA143
CGLY158
DALA143
DGLY158

site_idBC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO C 306
ChainResidue
ATHR251
AHIS252
ALEU253
AARG255
AEDO307
CTHR145
CTYR250
CTHR251
CHOH416

site_idCC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO C 307
ChainResidue
CGLY96
CILE97
CGLY98
CLEU99
CASP100
CALA101
CASN149

site_idCC2
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NAD D 301
ChainResidue
DGLY14
DSER17
DGLY18
DILE19
DGLY20
DARG39
DVAL62
DGLU63
DLEU64
DASN90
DTYR117
DILE138
DSER139
DSER140
DTYR153
DLYS157
DPRO183
DALA184
DVAL186
DTHR188
DSO4302
DHOH459
DHOH489
DHOH543
DHOH549
DHOH588

site_idCC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 D 302
ChainResidue
DASN94
DSER140
DLYS141
DTHR142
DGLN147
DTYR153
DALA184
DNAD301
DHOH447
DHOH489
DHOH546

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 303
ChainResidue
DARG39
DGLN65
DARG112
DHOH541

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL D 304
ChainResidue
DPRO221
DASP222
DHOH502

site_idCC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO D 305
ChainResidue
BTHR251
BHIS252
BLEU253
BARG255
BEDO305
DTHR145
DTYR250
DTHR251
DHOH424

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO D 306
ChainResidue
AASP226
DPRO234
DARG235
DSER237
DHOH481
DHOH505

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:A7IQH5
ChainResidueDetails
ATYR153
BTYR153
CTYR153
DTYR153

site_idSWS_FT_FI2
Number of Residues68
DetailsBINDING: BINDING => ECO:0000269|PubMed:23214453, ECO:0007744|PDB:4GVX
ChainResidueDetails
ASER17
AILE19
AARG39
AHIS40
AGLU63
ALEU64
AASN90
AASN94
ASER140
ALYS141
AGLN147
ATYR153
ALYS157
AALA184
AGLU185
AVAL186
ATHR188
BSER17
BILE19
BARG39
BHIS40
BGLU63
BLEU64
BASN90
BASN94
BSER140
BLYS141
BGLN147
BTYR153
BLYS157
BALA184
BGLU185
BVAL186
BTHR188
CSER17
CILE19
CARG39
CHIS40
CGLU63
CLEU64
CASN90
CASN94
CSER140
CLYS141
CGLN147
CTYR153
CLYS157
CALA184
CGLU185
CVAL186
CTHR188
DSER17
DILE19
DARG39
DHIS40
DGLU63
DLEU64
DASN90
DASN94
DSER140
DLYS141
DGLN147
DTYR153
DLYS157
DALA184
DGLU185
DVAL186
DTHR188

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PDB entries from 2024-06-12

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