Structure of PDB 3qt9 Chain A Binding Site BS01

Receptor Information

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

LSTNELKEIVRKIGKDLSGKIEDKKLQELFYNCFINTMDTTVEVSEGDAF
VITGDIPAMWLRDSTSQVEHYLPFVKEYPELKAIFTGLINRQVKCIFIDP
YANAFNKEPNGQKWDNDITKDSPWVWERKYEIDSLCYPVRLIHKYWKESG
DETFFNYDIKKAFNMIIDLWRVEQYHREKSDYSFQRLNCSVTDTLSHEGL
GTPVTYTGMTWSGFRPSDDACEYGYLIPANMFAVVALRYISEIAEKVYKD
EELKEKADSLREEIDNAIEKHGKVYKEGFGEVYAYETDGMGNYNFMDDAN
VPSLLSIPYLEYKGIEDEVYQNTRKFILSKNNRFFFEGKAAKGIGSPHTP
DQYIWHIALSMQGLTTNNQEEIDQLIKLLKETDAGTGYMHEGFHVDDPTK
FTRDWFAWSNSLFSHFIYEKVINK

Ligand information

• Ligand ID: Z4Y
• InChI: InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: OMLRWUJGVBOYQP-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)S
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CS
  CACTVS 3.370: O[C@H]1O[C@H](CS)[C@@H](O)[C@H](O)[C@@H]1O
  CACTVS 3.370: O[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S
• Formula: C6 H12 O5 S
• Name: 6-thio-alpha-D-mannopyranose;
  6-thio-alpha-D-mannose;
  6-thio-D-mannose;
  6-thio-mannose
• PDB chain: 3qt9 Chain B Residue 1

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): W116 E129 K131 R188 D195 D220 H350
• Binding residue (residue number reindexed from 1): W114 E127 K129 R186 D193 D218 H348
• Annotation score: 1

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