Structure of PDB 7bya Chain D Binding Site BS02

Receptor Information
>7bya Chain D (length=311) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKRKKISVIGAGFTGATTAFLLAQKELGDVVLVDIPQLENPTKGKALDM
LEASPVLGFDANIIGTSDYADTADSDIVVITAGIARKPGMSRDDLVTTNQ
KIMKQVTKEVVKYSPNCYIIVLTNPVDAMTYTVFKESGFPKNRVIGQSGV
LDTARFRTFVAEELNISVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLEKL
IPKDRLDAIVERTRKGGGEIVNLLGNGSAYYAPAASLVEMVEAILKDQRR
ILPAIAYLEGEYGYEGIYLGVPTILGGNGIEKVIELELTEEEKAALAKSV
ESVKNVMRMLE
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 chain7bya Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bya Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R86 R92 N124 L151 R155 H179 G217
Binding residue
(residue number reindexed from 1)		R86 R92 N124 L151 R155 H179 G217
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.37: malate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004459 L-lactate dehydrogenase activity
GO:0016491 oxidoreductase 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:0006089 lactate metabolic process
GO:0006090 pyruvate metabolic process
GO:0006099 tricarboxylic acid cycle
GO:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7bya, PDBe:7bya, PDBj:7bya
PDBsum7bya
PubMed33723609
UniProtA0A143T1U9

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