2VWI

Structure of the OSR1 kinase, a hypertension drug target

PDB DOI: https://doi.org/10.2210/pdb2VWI/pdb

Classification: TRANSFERASE
Organism(s): Homo sapiens
Expression System: Escherichia coli BL21
Mutation(s): No

Deposited: 2008-06-25 Released: 2008-07-08
Deposition Author(s): Villa, F., Deak, M., Alessi, D.R., vanAalten, D.M.F.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.15 Å
R-Value Free: 0.287
R-Value Work: 0.253
R-Value Observed: 0.253

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

Structure of the Osr1 Kinase, a Hypertension Drug Target.

Villa, F., Deak, M., Alessi, D.R., Van Aalten, D.M.F.

(2008) Proteins 73: 1082

PubMed: 18831043 Search on PubMed
DOI: https://doi.org/10.1002/prot.22238
Primary Citation of Related Structures:
2VWI

Organizational Affiliation

Division of Biological Chemistry and Drug Discovery, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland.

Macromolecule Content

Total Structure Weight: 140.25 kDa
Atom Count: 8,508
Modelled Residue Count: 1,056
Deposited Residue Count: 1,212
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
SERINE/THREONINE-PROTEIN KINASE OSR1	A, B, C, D	303	Homo sapiens	Mutation(s): 0 EC: 2.7.11.1
UniProt & NIH Common Fund Data Resources
Find proteins for O95747 (Homo sapiens) Explore O95747 Go to UniProtKB: O95747
PHAROS: O95747 GTEx: ENSG00000172939
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O95747
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ANP Query on ANP Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain K [auth B] SDF format, chain P [auth C] SDF format, chain T [auth D] MOL2 format, chain F [auth A] MOL2 format, chain K [auth B] MOL2 format, chain P [auth C] MOL2 format, chain T [auth D]	F [auth A], K [auth B], P [auth C], T [auth D]	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C₁₀ H₁₇ N₆ O₁₂ P₃ PVKSNHVPLWYQGJ-KQYNXXCUSA-N		Interactions Focus chain F [auth A] Focus chain K [auth B] Focus chain P [auth C] Focus chain T [auth D] Interactions & Density Focus chain F [auth A] Focus chain K [auth B] Focus chain P [auth C] Focus chain T [auth D]
AU Query on AU Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain J [auth B] SDF format, chain L [auth B] SDF format, chain M [auth B] SDF format, chain N [auth B] SDF format, chain Q [auth C] SDF format, chain R [auth C] SDF format, chain U [auth D] SDF format, chain V [auth D] MOL2 format, chain E [auth A] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain J [auth B] MOL2 format, chain L [auth B] MOL2 format, chain M [auth B] MOL2 format, chain N [auth B] MOL2 format, chain Q [auth C] MOL2 format, chain R [auth C] MOL2 format, chain U [auth D] MOL2 format, chain V [auth D]	E [auth A] G [auth A] H [auth A] J [auth B] L [auth B] E [auth A], G [auth A], H [auth A], J [auth B], L [auth B], M [auth B], N [auth B], Q [auth C], R [auth C], U [auth D], V [auth D]	GOLD ION Au ZBKIUFWVEIBQRT-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain J [auth B] Focus chain L [auth B] Focus chain M [auth B] Focus chain N [auth B] Focus chain Q [auth C] Focus chain R [auth C] Focus chain U [auth D] Focus chain V [auth D] Interactions & Density Focus chain E [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain J [auth B] Focus chain L [auth B] Focus chain M [auth B] Focus chain N [auth B] Focus chain Q [auth C] Focus chain R [auth C] Focus chain U [auth D] Focus chain V [auth D]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain I [auth B] SDF format, chain O [auth C] SDF format, chain S [auth D] MOL2 format, chain I [auth B] MOL2 format, chain O [auth C] MOL2 format, chain S [auth D]	I [auth B], O [auth C], S [auth D]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain I [auth B] Focus chain O [auth C] Focus chain S [auth D] Interactions & Density Focus chain I [auth B] Focus chain O [auth C] Focus chain S [auth D]