Structure of PDB 5vug Chain A Binding Site BS01

Receptor Information

>5vug Chain A (length=268) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DDPMIVAHRAGTRDFPENTVLAITNAVAAGVDGMWLTVQVSSDGVPVLYR
PSDLATLTDGAGPVNSKTVQQLQQLNAGWNFTTPGVEGHPYRQRATPIPT
LEQAIGATPPDMTLFLDLQPLVSAVAQVLTRTGAAGRSIVYSTNADITAA
ASRQEGLQVAESRDVTRQRLFNMALNHHCDPQPDPGKWAGFELHRDVTVT
EEFTLGSGISAVNAELWDEASVDCFRSQSGMKVMGFAVKTVDDYRLAHKI
GLDAVLVDSPLAAQQWRH

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

5vug Chain A Residue 301 [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	5vug Crystal Structure of Glycerophosphoryl Diester Phosphodiesterase Domain of Uncharacterized Protein Rv2277c from Mycobacterium tuberculosis
Resolution	1.5 Å
Binding residue (original residue number in PDB)	D116 T118
Binding residue (residue number reindexed from 1)	D111 T113
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H13 R14 W40 T42 R55 D122 D268
Catalytic site (residue number reindexed from 1)	H8 R9 W35 T37 R50 D117 D258
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0008081	phosphoric diester hydrolase activity

	Biological Process
GO:0006629	lipid metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:5vug, PDBe:5vug, PDBj:5vug
PDBsum	5vug
PubMed
UniProt	P9WLF1\|Y2277_MYCTU Uncharacterized protein Rv2277c (Gene Name=Rv2277c)

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