Structure of PDB 4pet Chain A Binding Site BS02

Receptor Information

>4pet Chain A (length=329) Species: 167879 (Colwellia psychrerythraea 34H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DKKYRWKLAETWGPNFPIFGDATKNMAKMVKEMSNGRLTIRIDSSNKHKS
ALGIFDFVKSGQYQMGHSASYYWKGKNFNTMFFTTVPFGMIASEQHAWFY
YGGGMELMKKVYDQYGIMSFPGGNTGNQMGGWFKKEINSVEDLKGLKMRI
PGFAGEVLAKLGAKPTNIPSGELYTALERNTIDALEWVGPSLDLRMGFHK
IAPYYYTGWHEPGTELQFMVNQKAYNSLPKDLQKILTVAMKAAAYDMYSQ
SMHASGVNLASLKKDYPNVQMRSFPKPVMEAIVQANDELLEEFAAKDPMT
AEILKSLNDYKHQIRAWTNLSDRAYLDNF

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

4pet Chain A Residue 403 [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	4pet Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	Q158 E216 W217 E241
Binding residue (residue number reindexed from 1)	Q128 E186 W187 E211
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0046872	metal ion binding

	Biological Process
GO:0055085	transmembrane transport

	Cellular Component
GO:0031317	tripartite ATP-independent periplasmic transporter complex

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Cellular Component

External links

PDB	RCSB:4pet, PDBe:4pet, PDBj:4pet
PDBsum	4pet
PubMed	25540822
UniProt	Q48AL6

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