Structure of PDB 2bvy Chain A Binding Site BS01

Receptor Information

>2bvy Chain A (length=451) Species: 1708 (Cellulomonas fimi)

TIAIVDADATAETRSLLSYLDGVRGEGILFGHQHTTSFGLTTGPTDGTTS
DVKNVTGDFPAVFGWDTLIIEGNERPGLAENTRDENIALFADYIRKADAI
GGVNTVSAHVENFVTGGSFYDTSGDTLRAVLPGGSHHAELVAYLDDIAEL
ADASRRDDGTLIPIVFRPWHENAGSWFWWGAAYGSPGEYQELYRFTVEYL
RDVKGVSNFLYAWGPGGGFGGNRDVYLRTYPGDAFVDVLGLDTYDSTGSD
AFLAGLVADLRMIAEIADEKGKVSAFTEFGVSGGVGTNGSSPAQWFTKVL
AAIKADPVASRNAYMETWANFDAGQHFVPVPGDALLEDFQAYAADPFTLF
ASEVTGAFDRTVAAAPAQPVVHIASPADGARVASAPTTVRVRVGGTDVQS
VTVEVAQVVDTLDLAYDGALWWTAPWSPYTVTATATTAAGTLDVTNEVAA
A

Ligand information

• Ligand ID: CAC
• InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
• InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.0: C[As](=O)(C)[O-]
  CACTVS 3.370: C[As](C)([O-])=O
  ACDLabs 12.01: [O-][As](=O)(C)C
• Formula: C2 H6 As O2
• Name: CACODYLATE ION;
  dimethylarsinate
• PDB chain: 2bvy Chain A Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bvy The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): H113 H174 E175 E282 W322 A467
• Binding residue (residue number reindexed from 1): H109 H170 E171 E278 W318 A451
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 3.2.1.78: mannan endo-1,4-beta-mannosidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016985 mannan endo-1,4-beta-mannosidase activity

Biological Process

• GO:0006080 substituted mannan metabolic process

External links

• PDB: RCSB:2bvy, PDBe:2bvy, PDBj:2bvy
• PDBsum: 2bvy
• PubMed: 16171384
• UniProt: Q9XCV5