Structure of PDB 5jpf Chain A Binding Site BS02

Receptor Information

>5jpf Chain A (length=290) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DIDSLIDKLLNAGFSGKRTKNVCLKNTEIELICASAREIFLSQPSLLELA
PPVKVVGDVHGQYHDLIRIFSKCGFPPKTNYLFLGDYVNRGKQSLETILL
LLCYKIKYPENFFLLRGNHECANVTRVYGFYDECKRRCNIKTWKLFIDTF
NTLPIAAIVAGKIFCVHGGLSPVLNSMDEIRNIARPTDVPDFGLLNDLLW
SDPADTINEWEDNERGVSYVFSKVAINKFLSKFNFDLVCRAHMVVEDGYE
FFNDRTLVTVFSAPNYCDNWGAVMGVSEDLLCSFELLDPL

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

5jpf Chain A Residue 501 [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	5jpf Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Resolution	2.3993 Å
Binding residue (original residue number in PDB)	D257 N289 H338 H413
Binding residue (residue number reindexed from 1)	D86 N118 H167 H242
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D229 H231 D257 N260 R261 N289 H290 H338 R386 H413
Catalytic site (residue number reindexed from 1)	D58 H60 D86 N89 R90 N118 H119 H167 R215 H242
Enzyme Commision number	3.1.3.16: protein-serine/threonine phosphatase.

Gene Ontology

	Molecular Function
GO:0004722	protein serine/threonine phosphatase activity
GO:0016787	hydrolase activity

View graph for
Molecular Function

External links

PDB	RCSB:5jpf, PDBe:5jpf, PDBj:5jpf
PDBsum	5jpf
PubMed	27578752
UniProt	C4YM68

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