Structure of PDB 1s4p Chain B Binding Site BS01

Receptor Information

>1s4p Chain B (length=335) Species: 4932 (Saccharomyces cerevisiae)

TKTTMDYITPSFKPKACYVTLVRNKELKGLLSSIKYVENKINKKFPYPWV
FLNDEPFTEEFKEAVTKAVSSEVKFGILPKEHWSYPEWINQTKAAEIRAD
AATKYIYGGSESYRHMCRYQSGFFWRHELLEEYDWYWRVEPDIKLYCDIN
YDVFKWMQENEKVYGFTVSIHEYEVTIPTLWQTSMDFIKKNPEYLDENNL
MSFLSNDNGKTYNLCHFWSNFEIANLNLWRSPAYREYFDTLDHQGGFFYE
RWGDAPVHSIAAALFLPKDKIHYFSDIGYHHPPYDNCPLDKEVYNSNNCE
CDQGNDFTFQGYSCGKEYYDAQGLVKPKNWKKFRE

Ligand information

• Ligand ID: MMA
• InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
• InChIKey: HOVAGTYPODGVJG-VEIUFWFVSA-N
• SMILES:
  CACTVS 3.341: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(O)C(OC1OC)CO
  OpenEye OEToolkits 1.5.0: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  CACTVS 3.341: CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: COC1C(C(C(C(O1)CO)O)O)O
• Formula: C7 H14 O6
• Name: methyl alpha-D-mannopyranoside;
  O1-METHYL-MANNOSE;
  methyl alpha-D-mannoside;
  methyl D-mannoside;
  methyl mannoside
• ChEMBL: CHEMBL195368
• DrugBank: DB01979
• ZINC: ZINC000004261920
• PDB chain: 1s4p Chain B Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1s4p Structure of Kre2p/Mnt1p: A YEAST {alpha}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPROTEIN BIOSYNTHESIS
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): Y220 E279 H323 W325 R358
• Binding residue (residue number reindexed from 1): Y113 E172 H216 W218 R251
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.4.1.-

Gene Ontology

Molecular Function

• GO:0000030 mannosyltransferase activity

Biological Process

• GO:0006486 protein glycosylation

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:1s4p, PDBe:1s4p, PDBj:1s4p
• PDBsum: 1s4p
• PubMed: 14752117
• UniProt: P27809|KRE2_YEAST Glycolipid 2-alpha-mannosyltransferase (Gene Name=KRE2)