Structure of PDB 3gkr Chain A Binding Site BS02

Receptor Information
>3gkr Chain A (length=335) Species: 1629 (Weissella viridescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVLNLNDPQAVERYEEFMRQSPYGQVTQDLGWAKVKNNWEPVDVYLEDDQ
GAIIAAMSMLLGDTPTDKKFAYASKGPVMDVTDVDLLDRLVDEAVKALDG
RAYVLRFDPEVAYSDEFNTTLQDHGYVTRNRNVADAGMHATIQPRLNMVL
DLTKFPDAKTTLDLYPSKTKSKIKRPFRDGVEVHSGNSATELDEFFKTYT
TMAERHGITHRPIEYFQRMQAAFDADTMRIFVAEREGKLLSTGIALKYGR
KIWYMYAGSMDGNTYYAPYAVQSEMIQWALDTNTDLYDLGGIESESTDDS
LYVFKHVFVKDAPREYIGEIDKVLDPEVYAELVKD
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 chain3gkr Chain A Residue 401 [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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PDB3gkr Structure of Weissella viridescens FemX with the UDP-MurNAc-hexapeptide product of the alanine transfer reaction
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T64 T66
Binding residue
(residue number reindexed from 1)		T64 T66
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K36 D108 R211 F304 K305 E319
Catalytic site (residue number reindexed from 1) K36 D108 R211 F304 K305 E319
Enzyme Commision number 2.3.2.10: UDP-N-acetylmuramoylpentapeptide-lysine N(6)-alanyltransferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016755 aminoacyltransferase activity
GO:0047206 UDP-N-acetylmuramoylpentapeptide-lysine N6-alanyltransferase activity
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0044038 cell wall macromolecule biosynthetic process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3gkr, PDBe:3gkr, PDBj:3gkr
PDBsum3gkr
PubMed
UniProtQ9EY50|FEMX_WEIVI UDP-N-acetylmuramoylpentapeptide-lysine N(6)-alanyltransferase (Gene Name=femX)

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