Structure of PDB 1pzg Chain A Binding Site BS01

Receptor Information

>1pzg Chain A (length=328) Species: 508771 (Toxoplasma gondii ME49)

PALVQRRKKVAMIGSGMIGGTMGYLCALRELADVVLYDVVKGMPEGKALD
LSHVTSVVDTNVSVRAEYSYEAALTGADCVIVTAGLTKVPGKPDSEWSRN
DLLPFNSKIIREIGQNIKKYCPKTFIIVVTNPLDCMVKVMCEASGVPTNM
ICGMACMLDSGRFRRYVADALSVSPRDVQATVIGTHGDCMVPLVRYITVN
GYPIQKFIKDGVVTEKQLEEIAEHTKVSGGEIVRFLGQGSAYYAPAASAV
AMATSFLNDEKRVIPCSVYCNGEYGLKDMFIGLPAVIGGAGIERVIELEL
NEEEKKQFQKSVDDVMALNKAVAALQAP

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1pzg Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1pzg Structure of Toxoplasma gondii LDH1: Active-Site Differences from Human Lactate Dehydrogenases and the Structural Basis for Efficient APAD+ Use.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): R109 R171 H195 G236
• Binding residue (residue number reindexed from 1): R99 R162 H186 G229
• Annotation score: 1

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:1pzg, PDBe:1pzg, PDBj:1pzg
• PDBsum: 1pzg
• PubMed: 14744130
• UniProt: P90613