Structure of PDB 1b8u Chain A Binding Site BS01

Receptor Information
>1b8u Chain A (length=327) Species: 87645 (Aquaspirillum arcticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTPMRVAVTGAAGQICYSLLFRIANGDMLGKDQPVILQLLEIPNEKAQKA
LQGVMMEIDDCAFPLLAGMTAHADPMTAFKDADVALLVGARPRGPGMERK
DLLEANAQIFTVQGKAIDAVASRNIKVLVVGNPANTNAYIAMKSAPSLPA
KNFTAMLRLDHNRALSQIAAKTGKPVSSIEKLFVWGNHSPTMYADYRYAQ
IDGASVKDMINDDAWNRDTFLPTVGKRGAAIIDARGVSSAASAANAAIDH
IHDWVLGTAGKWTTMGIPSDGSYGIPEGVIFGFPVTTENGEYKIVQGLSI
DAFSQERINVTLNELLEEQNGVQHLLG
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain1b8u Chain A Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b8u Structural basis for cold adaptation. Sequence, biochemical properties, and crystal structure of malate dehydrogenase from a psychrophile Aquaspirillium arcticum.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R165 H190 G227 K228 G230
Binding residue
(residue number reindexed from 1)		R163 H188 G225 K226 G228
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D162 H190
Catalytic site (residue number reindexed from 1) D160 H188
Enzyme Commision number 1.1.1.37: malate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016615 malate dehydrogenase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0030060 L-malate dehydrogenase (NAD+) activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006107 oxaloacetate metabolic process
GO:0006108 malate metabolic process
GO:0006734 NADH metabolic process
GO:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1b8u, PDBe:1b8u, PDBj:1b8u
PDBsum1b8u
PubMed10206992
UniProtQ9ZF99|MDH_AQUAR Malate dehydrogenase (Gene Name=mdh)

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