Structure of PDB 4kav Chain A Binding Site BS03

Receptor Information
>4kav Chain A (length=334) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNIPYTQLDMAVVQNRPAGSLRRFVVLVVGETTRAANWGLNGYSRQTTPL
LAARGDEIVNFPQVRSCGTSTAHSLPCMFSTFDRTDYDEIKAEHQDNLLD
IVQRAGVEVTWLENDSGCKGVCGKVPNTDVTSLNLPEYCRNGECLDNILL
TKFDEVLNKNDKDAVLILHTIGSHGPTYYERYTEAERKFTPTCDTNEINK
CTRATLVNTYDNTVLYVDQFIDKVIRKLENRDDLESVVHYVSDHGESLGE
NGMYLHAAPYAIAPSGQTHIPMVMWFSKAFRQHGGIDFQCLKQKAAENEY
SHDHYFSTVLGLMDISNSQTYRKEMDILAACRRP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4kav Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kav The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
Resolution1.433 Å
Binding residue
(original residue number in PDB)		C286 S289 F291
Binding residue
(residue number reindexed from 1)		C77 S80 F82
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.27: phosphatidylglycerophosphatase.
Gene Ontology
Molecular Function
GO:0016772 transferase activity, transferring phosphorus-containing groups

View graph for
Molecular Function
External links
PDB RCSB:4kav, PDBe:4kav, PDBj:4kav
PDBsum4kav
PubMed23810904
UniProtQ7DD94

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