Structure of PDB 5ezm Chain A Binding Site BS10

Receptor Information
>5ezm Chain A (length=537) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAATGWVVLFVAVALVVWFVSLDMRHLVGPDEGRYAEISREMFASGDWVT
IRYNALKYFEKPPFHMWVTVVGYELFGLGEWQARLAVALSGLLGIGVSMM
AARRWFGARAAAFTGLALLAAPMWSVAAHFNTLDMTLAGVMSCVLAFMLM
GQHPDASVAARRGWMVACWAAMGVAILTKGLVGIALPGLVLVVYTLVTRD
WGLWRRLHLALGVVVMLVITVPWFYLVSVRNPEFPNFFFIHEHWQRRSGS
VFYFLPLVIGGFLPWAGIFPKLWTAMRARFRPALMAGIWAIAIFVFFSIS
RSKLPGYIVPVIPALGILAGVALDRLSPRSWGKQLIGMAIVAACGLLASP
VVATLNANHIPNSFYRAYAVWVAVAFVVMLLGIAVARLLLRRGVLPSVAV
YAMGMYLGFTVALLGHETVGRPASGADIAPQIAQKLTPEMPLYGVQMLDH
TLPFYLRHPLMMVGQADELTFGATVEPQRVVPDVDSFTKLWKNGQPAMAV
MSPDTYLALAPTLSMYVVARDWRRVVVANVASLAGPQ
Ligand information
Ligand IDMPG
InChIInChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKeyJPJYKWFFJCWMPK-GDCKJWNLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O
CACTVS 3.385CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCCCCOC(=O)C(CO)O
FormulaC21 H40 O4
Name[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
ChEMBL
DrugBankDB03831
ZINCZINC000064436846
PDB chain5ezm Chain A Residue 642 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ezm Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S281 F283 Y284
Binding residue
(residue number reindexed from 1)		S250 F252 Y253
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.43: lipid IVA 4-amino-4-deoxy-L-arabinosyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0010041 response to iron(III) ion
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:5ezm, PDBe:5ezm, PDBj:5ezm
PDBsum5ezm
PubMed26912703
UniProtQ1LDT6

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