Structure of PDB 2bvt Chain A Binding Site BS01

Receptor Information

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

TIAIVDADATAETRSLLSYLDGVRGEGILFGHQHTTSFGLTTGPTDGTTS
DVKNVTGDFPAVFGWDTLIIEGNERPGLAENTRDENIALFADYIRKADAI
GGVNTVSAHVENFVTGGSFYDTSGDTLRAVLPGGSHHAELVAYLDDIAEL
ADASRRDDGTLIPIVFRPWHENAGSWFWWGAAYGSPGEYQELYRFTVEYL
RDVKGVSNFLYAWGPGGGFGGNRDVYLRTYPGDAFVDVLGLDTYDSTGSD
AFLAGLVADLRMIAEIADEKGKVSAFTEFGVSGGVGTNGSSPAQWFTKVL
AAIKADPVASRNAYMETWANFDAGQHFVPVPGDALLEDFQAYAADPFTLF
ASEVTGAFDRTVAAAPAQPVVHIASPADGARVASAPTTVRVRVGGTDVQS
VTVEVAQVVDTLDLAYDGALWWTAPWSPYTVTATATTAAGTLDVTNEVAA
A

Ligand information

• Ligand ID: BMA
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-RWOPYEJCSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 2bvt Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bvt The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): E78 W322 Q329
• Binding residue (residue number reindexed from 1): E74 W318 Q325
• Annotation score: 4

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:2bvt, PDBe:2bvt, PDBj:2bvt
• PDBsum: 2bvt
• PubMed: 16171384
• UniProt: Q9XCV5