Structure of PDB 1pzf Chain A Binding Site BS01

Receptor Information

>1pzf Chain A (length=328) Species: 5811 (Toxoplasma gondii)

PALVQRRKKVAMIGSGMIGGTMGYLCALRELADVVLYDVVKGMPEGKALD
LSHVTSVVDTNVSVRAEYSYEAALTGADCVIVTAGLTKVPGKPDSEWSRN
DLLPFNSKIIREIGQNIKKYCPKTFIIVVTNPLDCMVKVMCEASGVPTNM
ICGMACMLDSGRFRRYVADALSVSPRDVQATVIGTHGDCMVPLVRYITVN
GYPIQKFIKDGVVTEKQLEEIAEHTKVSGGEIVRFLGQGSAYYAPAASAV
AMATSFLNDEKRVIPCSVYCNGEYGLKDMFIGLPAVIGGAGIERVIELEL
NEEEKKQFQKSVDDVMALNKAVAALQAP

Ligand information

• Ligand ID: OXL
• InChI: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
• InChIKey: MUBZPKHOEPUJKR-UHFFFAOYSA-L
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-]C(=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(=O)(C(=O)[O-])[O-]
• Formula: C2 O4
• Name: OXALATE ION
• PDB chain: 1pzf Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1pzf Structure of Toxoplasma gondii LDH1: Active-Site Differences from Human Lactate Dehydrogenases and the Structural Basis for Efficient APAD+ Use.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): W107 R109 N140 R171 H195 G236
• Binding residue (residue number reindexed from 1): W97 R99 N131 R162 H186 G229
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): R109 D168 R171 H195
• Catalytic site (residue number reindexed from 1): R99 D159 R162 H186
• Enzyme Commision number: 1.1.1.27: L-lactate 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

Biological Process

• GO:0006089 lactate metabolic process
• GO:0006090 pyruvate metabolic process
• GO:0019752 carboxylic acid metabolic process

External links

• PDB: RCSB:1pzf, PDBe:1pzf, PDBj:1pzf
• PDBsum: 1pzf
• PubMed: 14744130
• UniProt: P90613