Structure of PDB 7bbv Chain B Binding Site BS04

Receptor Information

>7bbv Chain B (length=298) Species: 498257 (Verticillium dahliae VdLs.17)

ASVTESCNIGYASTNGGTTGGKGGATTTVSTLAQFTKAAESSGKLNIVVK
GKISGGAKVRVQSDKTIIGQKGSELVGTGLYINKVKNVIVRNMKISKVKD
SNGDAIGIQASKNVWVDHCDLSSDLKSGKDYYDGLLDITHGSDWVTVSNT
FLHDHFKASLIGHTDSNAKEDKGKLHVTYANNYWYNVNSRNPSVRFGTVH
IYNNYYLEVGSSAVNTRMGAQVRVESTVFDKSTKNGIISVDSKEKGYATV
GDISWGSSTNTAPKGTLGSSNIPYSYNLYGKNNVKARVYGTAGQTLGF

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  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
  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([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: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 7bbv Chain B Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7bbv The specificity of pectate lyase VdPelB from Verticilium dahliae is highlighted by structural, dynamical and biochemical characterizations.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): T22 K40
• Binding residue (residue number reindexed from 1): T4 K22
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0030570 pectate lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000272 polysaccharide catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:7bbv, PDBe:7bbv, PDBj:7bbv
• PDBsum: 7bbv
• PubMed: 36639075
• UniProt: G2X3Y1