Structure of PDB 4cvm Chain A Binding Site BS04

Receptor Information
>4cvm Chain A (length=443) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEPLRLSQLTVALDARLIGEDAVFSAVSTDSRAIGPGELFIALSGPRFD
GHDYLAEVAAKGAVAALVEREVADAPLPQLLVRDTRAALGRLGALNRRKF
TGPLAAMTGSSGKTTVKEMLASILRTQAGDAESVLATRGNLNNDLGVPLT
LLQLAPQHRSAVIELGASRIGEIAYTVELTRPHVAIITNAGTAHVGGPEK
IVEAKGEILEGLAADGTAVLNLDDKAFDTWKARASGRPLLTFSLDRPQAD
FRAADLQRDARGCMGFRLQGVAGEAQVQLNLLGRHNVANALAAAAAAHAL
GVPLDGIVAGLQALQPVKGRAVAQLTASGLRVIDDSYNANPASMLAAIDI
LSGFSGRTVLVLGDMGAEQAHREVGAYAAGKVSALYAVGPLMAHAVQAFG
ATGRHFADQASLIGALATEDPTTTILIKGSRSAAMDKVVAALC
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 chain4cvm Chain A Residue 1457 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cvm Pamurf in Complex with AMP-Pnp and Udp-Murnac-Tripeptide
Resolution2.06 Å
Binding residue
(original residue number in PDB)		T114 N140
Binding residue
(residue number reindexed from 1)		T114 N140
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K113 T114 D144 E164 H194
Catalytic site (residue number reindexed from 1) K113 T114 D144 E164 H194
Enzyme Commision number 6.3.2.10: UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008766 UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanine ligase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
GO:0047480 UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4cvm, PDBe:4cvm, PDBj:4cvm
PDBsum4cvm
PubMed
UniProtQ9HVZ7

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