Structure of PDB 3ngj Chain A Binding Site BS01

Receptor Information

>3ngj Chain A (length=218) Species: 5759 (Entamoeba histolytica)

MDKATLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCA
ELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMV
KAKKYDDVEKDVKAVVDASGKALTKVIIECCYLTNEEKVEVCKRCVAAGA
EYVKTSTGFGTHGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINN
GASRIGASAGIAILNGIH

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3ngj Chain A Residue 250

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ngj Crystal structure of a putative deoxyribose-phosphate aldolase from Entamoeba histolytica
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D192 H218
• Binding residue (residue number reindexed from 1): D192 H218
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D92 K154 K183
• Catalytic site (residue number reindexed from 1): D92 K154 K183
• Enzyme Commision number: 4.1.2.4: deoxyribose-phosphate aldolase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004139 deoxyribose-phosphate aldolase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009264 deoxyribonucleotide catabolic process
• GO:0016052 carbohydrate catabolic process
• GO:0046386 deoxyribose phosphate catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3ngj, PDBe:3ngj, PDBj:3ngj
• PDBsum: 3ngj
• UniProt: C4M5C6