Structure of PDB 8h4v Chain A Binding Site BS03

Receptor Information

>8h4v Chain A (length=148) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ELSCYNDGSGSVKNCCPLKWFHFQSSCYLFSPDTMSWRASLKNCSSMGAH
LVVINTQEEQEFLYYTKPRKKEFYIGLTDQVTEGQWQWVDGTPFTKSLSF
WDAGEPNNLVTVEDCATIRDSSNPRQNWNDVPCFFNMFRVCEMPERKI

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

8h4v Chain A Residue 1002 [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	8h4v PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	D142 E146 N171 E176 D177
Binding residue (residue number reindexed from 1)	D79 E83 N108 E113 D114
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8h4v, PDBe:8h4v, PDBj:8h4v
PDBsum	8h4v
PubMed	37521780
UniProt	E1BHM0

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