Structure of PDB 1ss9 Chain A Binding Site BS01

Receptor Information

>1ss9 Chain A (length=280) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDIVFAADDNYAAYLCVAAKSVEAAHPDTEIRFHVLDAGISEANRAAVAA
NLRGGGGNIRFIDVNPEDFAGFPLNIRHISITTYARLKLGEYIADCDKVL
YLDIDVLVRDSLTPLWDTDLGDNWLGACIDLFVERQEGYKQKIGMADGEY
YFNAGVLLINLKKWRRHDIFKMSCEWVEQYKDVMQYQDEDILNGLFKGGV
CYANSRFNFMPTNYAFMANASRHTDPLYRDRTNTVMPVAVSHYCGPAKPW
HRDCTAWGAERFTELAGSLTTVPEEWRGKL

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

1ss9 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1ss9 Intermediate trapping on a mutant retaining alpha-galactosyltransferase identifies an unexpected aspartate residue.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	D103 D105 H244
Binding residue (residue number reindexed from 1)	D103 D105 H242
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H78 D103 D105 D130 D188 E189 H244 K250
Catalytic site (residue number reindexed from 1)	H78 D103 D105 D130 D188 E189 H242 K248
Enzyme Commision number	2.4.1.44: lipopolysaccharide 3-alpha-galactosyltransferase.

Gene Ontology

	Molecular Function
GO:0016740	transferase activity
GO:0016757	glycosyltransferase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:1ss9, PDBe:1ss9, PDBj:1ss9
PDBsum	1ss9
PubMed	15075344
UniProt	Q93EK7

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