Structure of PDB 7r2c Chain B Binding Site BS02

Receptor Information

>7r2c Chain B (length=305) Species: 1133049 (Thermoascus aurantiacus ATCC 26904)

AKVFQWFGSNESGAEFGSQNLPGVEGKDYIWPDPNTIDTLISKGMNIFRV
PFMMERLVPNSMTGSPDPNYLADLIATVNAITQKGAYAVVDPHNYGRYYN
SIISSPSDFQTFWKTVASQFASNPLVIFDTNNEYHDMDQTLVLNLNQAAI
DGIRSAGATSQYIFVEGNSWTGAWTWTNVNDNMKSLTDPSDKIIYEMHQF
LDSDGSGTSATCVSSTIGQERITSATQWLRANGKKGIIGEFAGGANDVCE
TAITGMLDYMAQNTDVWTGAIWWAAGPWWGDYIFSMEPDNGIAYQQILPI
LTPYL

Ligand information

• Ligand ID: P9P
• InChI: InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
• InChIKey: BOFRXDMCQRTGII-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.4: c1cc(c(cc1N(=O)=O)Cl)O
  CACTVS 3.385: Oc1ccc(cc1Cl)[N](=O)=O
• Formula: C6 H4 Cl N O3
• Name: 2-chloranyl-4-nitro-phenol
• ChEMBL: CHEMBL150824
• ZINC: ZINC000012358970
• PDB chain: 7r2c Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r2c Crystal structure of TaCel5A Y200F variant in complex with 2-chloro-4-nitrophenyl-glucose
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): W174 D204
• Binding residue (residue number reindexed from 1): W174 D204
• Annotation score: 1

Enzymatic activity

• 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:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0009251 glucan catabolic process
• GO:0030245 cellulose catabolic process

External links

• PDB: RCSB:7r2c, PDBe:7r2c, PDBj:7r2c
• PDBsum: 7r2c
• UniProt: Q8TG26