Structure of PDB 4buc Chain A Binding Site BS01

Receptor Information
>4buc Chain A (length=427) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSHMKIGFLGFGKSNRSLLKYLLNHQEAKFFVSEAKTLDGETKKFLEE
HSVEYEEGGHTEKLLDCDVVYVSPGIKPDTSMIELLSSRGVKLSTELQFF
LDNVDPKKVVGITGTDGKSTATALMYHVLSGRGFKTFLGGNFGTPAVEAL
EGEYDYYVLEMSSFQLFWSERPYLSNFLVLNISEDHLDWHSSFKEYVDSK
LKPAFLQTEGDLFVYNKHIERLRNLEGVRSRKIPFWTDENFATEKELIVR
GKKYTLPGNYPYQMRENILAVSVLYMEMFNELESFLELLRDFKPLPHRME
YLGQIDGRHFYNDSKATSTHAVLGALSNFDKVVLIMCGIGKKENYSLFVE
KASPKLKHLIMFGEISKELAPFVGKIPHSIVENMEEAFEKAMEVSEKGDV
ILLSPGGASFAKRGEHFREIFKRHGGD
Ligand information
Ligand IDPO3
InChIInChI=1S/O3P/c1-4(2)3/q-3
InChIKeyAQSJGOWTSHOLKH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P-]([O-])=O
ACDLabs 10.04[O-][PH2-]([O-])=O
OpenEye OEToolkits 1.5.0[O-][P-](=O)[O-]
FormulaO3 P
NamePHOSPHITE ION
ChEMBL
DrugBank
ZINC
PDB chain4buc Chain A Residue 1008 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4buc Mreb and Murg as Scaffolds for the Cytoplasmic Steps of Peptidoglycan Biosynthesis
Resolution2.17 Å
Binding residue
(original residue number in PDB)		S96 M97
Binding residue
(residue number reindexed from 1)		S81 M82
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K133 N156 H201
Catalytic site (residue number reindexed from 1) K118 N141 H186
Enzyme Commision number 6.3.2.9: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008764 UDP-N-acetylmuramoylalanine-D-glutamate ligase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4buc, PDBe:4buc, PDBj:4buc
PDBsum4buc
PubMed23826965
UniProtQ9WY76|MURD_THEMA UDP-N-acetylmuramoylalanine--D-glutamate ligase (Gene Name=murD)

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