Structure of PDB 4ipj Chain A Binding Site BS01

Receptor Information
>4ipj Chain A (length=351) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMQNNNEFKIGNRSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAG
AEVVKHQTHIVEDEMSDEAKQVIPGNADVSIYEIMERCALNEEDEIKLKE
YVESKGMIFISTPFSRAAALRLQRMDIPAYKIGSGECNNYPLIKLVASFG
KPIILSTGMNSIESIKKSVEIIREAGVPYALLHCTNIYPTPYEDVRLGGM
NDLSEAFPDAIIGLSDHTLDNYACLGAVALGGSILERHFTDRMDRPGPDI
VCSMNPDTFKELKQGAHALKLARGGKKDTIIAGEKPTKDFAFASVVADKD
IKKGELLSGDNLWVKKPGNGDFSVNEYETLFGKVAACNIRKGAQIKKTDI
E
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4ipj 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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PDB4ipj Arg314 Is Essential for Catalysis by N-Acetyl Neuraminic Acid Synthase from Neisseria meningitidis.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H215 H236
Binding residue
(residue number reindexed from 1)		H217 H238
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.56: N-acetylneuraminate synthase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0047444 N-acylneuraminate-9-phosphate synthase activity
Biological Process
GO:0016051 carbohydrate biosynthetic process
GO:0070085 glycosylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4ipj, PDBe:4ipj, PDBj:4ipj
PDBsum4ipj
PubMed23534460
UniProtQ57265

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