Structure of PDB 4hgp Chain A Binding Site BS01

Receptor Information

>4hgp Chain A (length=179) Species: 71421 (Haemophilus influenzae Rd KW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MQQKLENIKFVITDVDGVLTDGQLHYDANGEAIKSFHVRDGLGIKMLMDA
DIQVAVLSGRDSPILRRRIADLGIKLFFLGKLEKETACFDLMKQAGVTAE
QTAYIGDDSVDLPAFAACGTSFAVADAPIYVKNAVDHVLSTHGGKGAFRE
MSDMILQAQGKSSVFDTAQGFLKSVKSMG

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

4hgp Chain A Residue 201 [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	4hgp Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	D14 D16 D107
Binding residue (residue number reindexed from 1)	D14 D16 D107
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.3.45: 3-deoxy-manno-octulosonate-8-phosphatase.

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016788	hydrolase activity, acting on ester bonds
GO:0019143	3-deoxy-manno-octulosonate-8-phosphatase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009103	lipopolysaccharide biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:4hgp, PDBe:4hgp, PDBj:4hgp
PDBsum	4hgp
PubMed	23848398
UniProt	P45314\|KDSC_HAEIN 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC (Gene Name=HI_1679)

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