Structure of PDB 4zzv Chain A Binding Site BS01

Receptor Information

>4zzv Chain A (length=436) Species: 1173061 (Geotrichum candidum)

EQIGTLTTETHPPLTWQTCTSGGSCTTNNGKVVLDANWRWLHSTSGSTNC
YTGNTWNTTLCPDDTTCAQNCALDGADYEGTYGITASGNSLRLNFVTNGS
QKNVGSRTYLMKDDTHYQTFNLLNQEFTFDVDVSGLPCGLNGALYMVPMA
ADGGVSNEPNNKAGAQYGVGYCDSQCPRDLKFIAGSANVQGWEPASNSAN
SGLGGNGSCCAELDIWEANSISAALTPHSADTVTQTVCNGDDCGGTYSND
RYSGTTDPDGCDFNSYRQGDTSFYGPGKTVDTNSKFTVVTQFLTDSSGNL
NEIKRFYVQNGVVIPNSQSTIAGISGNSITQDYCTAQKQVFGDTNTWEDH
GGFQSMTNAFKAGMVLVMSLWDDYYADMLWLDSVAYPTDADPSTPGVARG
TCSTTSGVPSDIESSAASAYVIYSNIKVGPINSTFS

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4zzv Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zzv Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
• Resolution: 1.37 Å
• Binding residue (original residue number in PDB): P177 D179
• Binding residue (residue number reindexed from 1): P177 D179
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E212 D214 E217 H228
• Catalytic site (residue number reindexed from 1): E212 D214 E217 H228
• Enzyme Commision number: 3.2.1.-
  3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:4zzv, PDBe:4zzv, PDBj:4zzv
• PDBsum: 4zzv
• PubMed: 26367132
• UniProt: A0A088T0J9