3EKK: Insulin receptor kinase

Insulin receptor kinase complexed with an inhibitor. Determined by X-ray diffraction at 2.1 Å resolution. Released 23 Dec 2008.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,666
Mol. weight: 35.38 kDa
Ligands: GS2
Released: 23 Dec 2008

Explore 3EKK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3EKK 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	1009-1019	11	1
β-strand	1022-1030	9	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	1083	1	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	1188-1203	16
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	307	Homo sapiens	P06213 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3EKK_1 Insulin receptor (chains A)
GVFPSSVYVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESA
SLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAE
NNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRNLAARNCMVAHDFTVKIGDFGMTRD
IYETDYYRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNE
QVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPNMRPTFLEIVNLLKDDLHPSFPEVSF
FHSEENK

Ligands and cofactors

ID	Name	Formula	Copies
GS2	2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]…	C27 H27 F N8 O3	1

Primary citation

Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase. Chamberlain, S.D., Wilson, J.W., Deanda, F. et al. Bioorg Med Chem Lett (2009) 19:469-473. DOI 10.1016/j.bmcl.2008.11.046 · 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
8DWN 2.15 Å, Crystal structure of bis-phosphorylated insulin receptor kinase domain
3EKN 2.2 Å, Insulin receptor kinase complexed with an inhibitor
5E1S 2.26 Å, The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578

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