Structure of PDB 4msp Chain B Binding Site BS01

Receptor Information

>4msp Chain B (length=189) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IPEPEVKIEVLQKPFICHRKTKGGDLMLVHYEGYLEKDGSLFHSTHKHNN
GQPIWFTLGILEALKGWDQGLKGMCVGEKRKLIIPPALGYGKEGKGKIPP
ESTLIFNIDLLEIRNGPRSHESFQEMDLNDDWKLSKDEVKAYLKKEFEKH
GAVVNESHHDALVEDIFDKEDEDKDGFISAREFTYKHDE

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

4msp Chain B Residue 201 [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	4msp Structure of human peptidyl-prolyl cis-trans isomerase FKBP22 containing two EF-hand motifs.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D129 N131 D133 K135 E140
Binding residue (residue number reindexed from 1)	D127 N129 D131 K133 E138
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y33 F44 H45 L66 Y92 F108
Catalytic site (residue number reindexed from 1)	Y31 F42 H43 L64 Y90 F106
Enzyme Commision number	5.2.1.8: peptidylprolyl isomerase.

Gene Ontology

	Molecular Function
GO:0003755	peptidyl-prolyl cis-trans isomerase activity
GO:0005509	calcium ion binding
GO:0005515	protein binding
GO:0046872	metal ion binding

	Cellular Component
GO:0005783	endoplasmic reticulum
GO:0005788	endoplasmic reticulum lumen

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4msp, PDBe:4msp, PDBj:4msp
PDBsum	4msp
PubMed	24272907
UniProt	Q9NWM8\|FKB14_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP14 (Gene Name=FKBP14)

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