Structure of PDB 6ftb Chain A Binding Site BS04

Receptor Information
>6ftb Chain A (length=210) Species: 1242971 (Staphylococcus aureus MW2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGHMDNVDELRKIENKSSFVSADNMPEYVKGAFISMQDERFYNHH
GFDLKGTTRALFSTISDRDVQGGSTITQQVVKNYFYDNDRSFTRKVKELF
VAHRVEKQYNKNEILSFYLNNIYFGDNQYTLEGAANHYFGTTVNKNSTTM
SHITVLQSAILASKVNAPSVYNINNMSENFTQRVSTNLEKMKQQNYINET
QYQQAMSQLN
Ligand information
Ligand ID1QW
InChIInChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1
InChIKeyARIWANIATODDMH-CQSZACIVSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCC(=O)OC[C@H](O)CO
ACDLabs 12.01O=C(OCC(O)CO)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(=O)OC[C@@H](CO)O
CACTVS 3.370CCCCCCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(=O)OCC(CO)O
FormulaC15 H30 O4
Name(2R)-2,3-dihydroxypropyl dodecanoate;
1-Lauroyl-rac-glycerol
ChEMBL
DrugBank
ZINCZINC000008437476
PDB chain6ftb Chain A Residue 314 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ftb The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D184 Y196 K222 S227 Y229 N230 I231
Binding residue
(residue number reindexed from 1)		D126 Y138 K164 S169 Y171 N172 I173
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.99.28: peptidoglycan glycosyltransferase.
External links
PDB RCSB:6ftb, PDBe:6ftb, PDBj:6ftb
PDBsum6ftb
PubMed30046666
UniProtQ7A0I6|MGT_STAAW Monofunctional glycosyltransferase (Gene Name=mgt)

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