Structure of PDB 1xuz Chain A Binding Site BS02

Receptor Information
>1xuz Chain A (length=348) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNNNEFKIGNRSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAGAEV
VKHQTHIVEDEMSDEAKQVIPGNADVSIYEIMERCALNEEDEIKLKEYVE
SKGMIFISTPFSRAAALRLQRMDIPAYKIGSGECNNYPLIKLVASFGKPI
ILSTGMNSIESIKKSVEIIREAGVPYALLHCTNIYPTPYEDVRLGGMNDL
SEAFPDAIIGLSDHTLDNYACLGAVALGGSILERHFTDRMDRPGPDIVCS
MNPDTFKELKQGAHALKLARGGKKDTIIAGEKPTKDFAFASVVADKDIKK
GELLSGDNLWVKRPGNGDFSVNEYETLFGKVAACNIRKGAQIKKTDIE
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 chain1xuz Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xuz Structural and mechanistic analysis of sialic acid synthase NeuB from Neisseria meningitidis in complex with Mn2+, phosphoenolpyruvate, and N-acetylmannosaminitol.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H215 H236
Binding residue
(residue number reindexed from 1)		H214 H235
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:1xuz, PDBe:1xuz, PDBj:1xuz
PDBsum1xuz
PubMed15516336
UniProtQ57265

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