Structure of PDB 7by9 Chain C Binding Site BS02

Receptor Information
>7by9 Chain C (length=302) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKRKKISVIGAGFTGATTAFLLAQKELGDVVLVDIPQLENPTKGKALDM
LEASPVLGFDANIIGTSDYADTADSDIVVITAGIALVTTNQKIMKQVTKE
VVKYSPNCYIIVLTNPVDAMTYTVFKESGFPKNRVIGQSGVLDTARFRTF
VAEELNISVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLEKLIPKDRLDAI
VERTRKGGGEIVNLLGNGSAYYAPAASLVEMVEAILKDQRRILPAIAYLE
GEYGYEGIYLGVPTILGGNGIEKVIELELTEEEKAALAKSVESVKNVMRM
LE
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 chain7by9 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7by9 Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N124 R155 H179 G217 S228
Binding residue
(residue number reindexed from 1)		N115 R146 H170 G208 S219
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:7by9, PDBe:7by9, PDBj:7by9
PDBsum7by9
PubMed33723609
UniProtA0A143T1U9

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