Structure of PDB 1p4n Chain A Binding Site BS02

Receptor Information
>1p4n 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 chain1p4n Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p4n Crystal structures of Weissella viridescens FemX and its complex with UDP-MurNAc-pentapeptide: insights into FemABX family substrates recognition.
Resolution1.9 Å
Binding residue
(original residue number in PDB)
F308 V309 K310
Binding residue
(residue number reindexed from 1)
F308 V309 K310
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

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Molecular Function

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Biological Process
External links
PDB RCSB:1p4n, PDBe:1p4n, PDBj:1p4n
PDBsum1p4n
PubMed14962386
UniProtQ9EY50|FEMX_WEIVI UDP-N-acetylmuramoylpentapeptide-lysine N(6)-alanyltransferase (Gene Name=femX)

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