Structure of PDB 7by9 Chain A Binding Site BS02

Receptor Information

>7by9 Chain A (length=311) Species: 1422 (Geobacillus stearothermophilus)

AMKRKKISVIGAGFTGATTAFLLAQKELGDVVLVDIPQLENPTKGKALDM
LEASPVLGFDANIIGTSDYADTADSDIVVITAGIARKPGMSRDDLVTTNQ
KIMKQVTKEVVKYSPNCYIIVLTNPVDAMTYTVFKESGFPKNRVIGQSGV
LDTARFRTFVAEELNISVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLEKL
IPKDRLDAIVERTRKGGGEIVNLLGNGSAYYAPAASLVEMVEAILKDQRR
ILPAIAYLEGEYGYEGIYLGVPTILGGNGIEKVIELELTEEEKAALAKSV
ESVKNVMRMLE

Ligand information

• Ligand ID: OAA
• InChI: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
• InChIKey: KHPXUQMNIQBQEV-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04: [O-]C(=O)CC(=O)C(=O)O
  OpenEye OEToolkits 1.5.0: C(C(=O)C(=O)O)C(=O)[O-]
  CACTVS 3.341: OC(=O)C(=O)CC([O-])=O
• Formula: C4 H3 O5
• Name: OXALOACETATE ION
• DrugBank: DB02637
• PDB chain: 7by9 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7by9 Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): L151 R155 H179 G217
• Binding residue (residue number reindexed from 1): L151 R155 H179 G217
• Annotation score: 5

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

External links

• PDB: RCSB:7by9, PDBe:7by9, PDBj:7by9
• PDBsum: 7by9
• PubMed: 33723609
• UniProt: A0A143T1U9