Structure of PDB 4zvz Chain C Binding Site BS01

Receptor Information

>4zvz Chain C (length=309) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PKLEDGKVTISFMKELMQWYKDQKKLHRKCAYQILVQVKEVLSKLSTLVE
TTLKETEKITVCGDTHGQFYDLLNIFELNGLPSETNPYIFNGDFVDRGSF
SVEVILTLFGFKLLYPDHFHLLRGNHETDNMNQIYGFEGEVKAKYTAQMY
ELFSEVFEWLPLAQCINGKVLIMHGGLFSEDGVTLDDIRKIERNRQPPDS
GPMCDLLWSDPQPQNGRSISKRGVSCQFGPDVTKAFLEENNLDYIIRSHE
VKAEGYEVAHGGRCVTVFSAPNYCDQMGNKASYIHLLRPQFHQFTAVPHP
NVKPMAYAN

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

4zvz Chain C 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	4zvz Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D242 H244 D271
Binding residue (residue number reindexed from 1)	D64 H66 D93
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D242 H244 D271 D274 R275 N303 H304 H352 R400 H427
Catalytic site (residue number reindexed from 1)	D64 H66 D93 D96 R97 N125 H126 H174 R222 H249
Enzyme Commision number	3.1.3.16: protein-serine/threonine phosphatase.

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity

View graph for
Molecular Function

External links

PDB	RCSB:4zvz, PDBe:4zvz, PDBj:4zvz
PDBsum	4zvz
PubMed	27002182
UniProt	P53041\|PPP5_HUMAN Serine/threonine-protein phosphatase 5 (Gene Name=PPP5C)

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