Structure of PDB 1ks4 Chain A Binding Site BS01

Receptor Information

>1ks4 Chain A (length=223) Species: 5061 (Aspergillus niger)

QTMCSQYDSASSPPYSVNQNLWGEYQGTGSQCVYVDKLSSSGASWHTEWT
WSGGEGTVKSYSNSGVTFNKKLVSDVSSIPTSVEWKQDNTNVNADVAYDL
FTAANVDHATSSGDYELMIWLARYGNIQPIGKQIATATVGGKSWEVWYGS
TTQAGAEQRTYSFVSESPINSYSGDINAFFSYLTQNQGFPASSQYLINLQ
FGTEAFTGGPATFTVDNWTASVN

Ligand information

• Ligand ID: PD
• InChI: InChI=1S/Pd/q+2
• InChIKey: MUJIDPITZJWBSW-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Pd++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Pd+2]
• Formula: Pd
• Name: PALLADIUM ION
• PDB chain: 1ks4 Chain A Residue 224

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ks4 Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): E116 M118
• Binding residue (residue number reindexed from 1): E116 M118
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E116 E204
• Catalytic site (residue number reindexed from 1): E116 E204
• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0008810 cellulase activity
• GO:0016740 transferase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0000272 polysaccharide catabolic process

External links

• PDB: RCSB:1ks4, PDBe:1ks4, PDBj:1ks4
• PDBsum: 1ks4
• PubMed: 11914491
• UniProt: O74705