Structure of PDB 5oce Chain A Binding Site BS01

Receptor Information
>5oce Chain A (length=255) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GARYAARNGGPEQLRRNLARVVGKPPADVPDDLIRASLASYARYWREAFR
LPAMDHGRLGEQLDVIDIDHLWSALDAGRGAVLALPHSGNWDMAGVWLVQ
NYGPFTTVAERLKPESLYRRFVEYRESLGFEVLPLTGGERPPFEVLAERL
TDNRPICLMAERDLTRSGVQVDFFGEATRMPAGPAKLAIETGAALFPVHC
WFEGDGWGMRVYPELDTSSGDVTAITQALADRFAANIATYPADWHMLQPQ
WIADL
Ligand information
Ligand IDBMA
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain5oce Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5oce The Molecular Mechanism of Substrate Recognition and Catalysis of the Membrane Acyltransferase PatA from Mycobacteria.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		Y83 W84 H126 W130
Binding residue
(residue number reindexed from 1)		Y44 W45 H87 W91
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.265: phosphatidylinositol dimannoside acyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0008654 phospholipid biosynthetic process
GO:0009247 glycolipid biosynthetic process
GO:0046488 phosphatidylinositol metabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5oce, PDBe:5oce, PDBj:5oce
PDBsum5oce
PubMed29185694
UniProtA0QWG5|ACYLT_MYCS2 Phosphatidylinositol mannoside acyltransferase (Gene Name=patA)

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