5E1S: INSR Tyrosine Kinase

The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578. Determined by X-ray diffraction at 2.26 Å resolution. Released 14 Oct 2015.

Method: X-ray diffraction
Resolution: 2.26 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,445
Mol. weight: 35.48 kDa
Ligands: 5JA
Released: 14 Oct 2015

Explore 5E1S in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5E1S contains 19 α-helices and 10 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 19 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	990	1	1
α-helix	993-995	3
β-strand	996-1004	9	1
β-strand	1009-1016	8	1
β-strand	1024-1031	8	1
α-helix	1038-1051	14
β-strand	1059	1	2
α-helix	1060-1061	2
β-strand	1062-1066	5	1
β-strand	1073-1077	5	1
β-strand	1082-1083	2	2
α-helix	1084-1090	7
α-helix	1102-1105	4
α-helix	1106-1125	20
α-helix	1135-1137	3
β-strand	1138-1140	3	2
β-strand	1146-1148	3	2
α-helix	1173-1175	3
α-helix	1178-1183	6
α-helix	1188-1204	17
α-helix	1207-1208	2
α-helix	1215-1223	9
α-helix	1228-1231	4
α-helix	1236-1245	10
α-helix	1250-1252	3
α-helix	1254-1255	2
α-helix	1256-1263	8
α-helix	1264-1266	3
α-helix	1271-1274	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Insulin receptor	A	protein	308	Homo sapiens	P06213 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5E1S_1 Insulin receptor (chains A)
GSVFPSSVYVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNES
ASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEA
ENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRNLAARNCMVAHDFTVKIGDFGMTR
DIYETDYYRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSN
EQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPKMRPTFLEIVNLLKDDLHPSFPEVS
FFHSEENK

Ligands and cofactors

ID	Name	Formula	Copies
5JA	(5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dime…	C29 H37 N9 O	1

Primary citation

BI 885578, a Novel IGF1R/INSR Tyrosine Kinase Inhibitor with Pharmacokinetic Properties That Dissociate Antitumor Efficacy and Perturbation of Glucose Homeostasis. Sanderson, M.P., Apgar, J., Garin-Chesa, P. et al. Mol Cancer Ther (2015) 14:2762-2772. DOI 10.1158/1535-7163.MCT-15-0539 · PubMed

Other PDB entries of the same protein (UniProt P06213 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3BU3 1.65 Å, Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB peptide
5HHW 1.79 Å, Crystal structure of insulin receptor kinase domain in complex with…
4IBM 1.8 Å, Crystal structure of insulin receptor kinase domain in complex with an inhibitor Irfin-1
5U1M 1.8 Å, Structure of the IRS-1 PTB Domain Bound to the Juxtamembrane Region of the Insulin…
1IR3 1.9 Å, Phosphorylated insulin receptor tyrosine kinase in complex with peptide substrate and…
1P14 1.9 Å, Crystal structure of a catalytic-loop mutant of the insulin receptor tyrosine kinase
3BU6 1.95 Å, Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB phosphopeptide
1IRK 2.1 Å, Crystal structure of the tyrosine kinase domain of the human insulin receptor
3BU5 2.1 Å, Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB peptide and ATP
3EKK 2.1 Å, Insulin receptor kinase complexed with an inhibitor
8DWN 2.15 Å, Crystal structure of bis-phosphorylated insulin receptor kinase domain
3EKN 2.2 Å, Insulin receptor kinase complexed with an inhibitor

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