Structure of PDB 3qt9 Chain A Binding Site BS02

Receptor Information

>3qt9 Chain A (length=424) Species: 1502 (Clostridium perfringens)

LSTNELKEIVRKIGKDLSGKIEDKKLQELFYNCFINTMDTTVEVSEGDAF
VITGDIPAMWLRDSTSQVEHYLPFVKEYPELKAIFTGLINRQVKCIFIDP
YANAFNKEPNGQKWDNDITKDSPWVWERKYEIDSLCYPVRLIHKYWKESG
DETFFNYDIKKAFNMIIDLWRVEQYHREKSDYSFQRLNCSVTDTLSHEGL
GTPVTYTGMTWSGFRPSDDACEYGYLIPANMFAVVALRYISEIAEKVYKD
EELKEKADSLREEIDNAIEKHGKVYKEGFGEVYAYETDGMGNYNFMDDAN
VPSLLSIPYLEYKGIEDEVYQNTRKFILSKNNRFFFEGKAAKGIGSPHTP
DQYIWHIALSMQGLTTNNQEEIDQLIKLLKETDAGTGYMHEGFHVDDPTK
FTRDWFAWSNSLFSHFIYEKVINK

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: 3qt9 Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qt9 Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): T55 W62 R64 D65 P218 D220 N302 W357 R405
• Binding residue (residue number reindexed from 1): T53 W60 R62 D63 P216 D218 N300 W355 R403
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:3qt9, PDBe:3qt9, PDBj:3qt9
• PDBsum: 3qt9
• PubMed: 21388958
• UniProt: Q8XNB2