5HHW: Insulin receptor kinase domain

Crystal structure of insulin receptor kinase domain in complex with cis-(R)-7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-((tetrahydro-2H-pyran-2-yl)methoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine. Determined by X-ray diffraction at 1.79 Å resolution. Released 13 Apr 2016.

Method: X-ray diffraction
Resolution: 1.79 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,800
Mol. weight: 35.45 kDa
Ligands: 60O
Released: 13 Apr 2016

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

Secondary structure: helices and β-sheets

5HHW contains 21 α-helices and 12 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: 21 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	1007-1009	3
β-strand	1017	1	1
α-helix	1020-1022	3
β-strand	1023-1031	9	1
β-strand	1036-1046	11	1
β-strand	1049-1058	10	1
α-helix	1065-1078	14
β-strand	1086	1	2
α-helix	1087-1088	2
β-strand	1089-1093	5	1
β-strand	1100-1104	5	1
β-strand	1110	1	2
α-helix	1111-1117	7
α-helix	1129	1
α-helix	1131-1132	2
α-helix	1133-1152	20
α-helix	1162-1164	3
β-strand	1165-1167	3	2
β-strand	1173-1175	3	2
β-strand	1190-1192	3	3
β-strand	1196-1198	3	3
α-helix	1200-1202	3
α-helix	1205-1210	6
α-helix	1215-1231	17
α-helix	1234-1235	2
α-helix	1242-1250	9
α-helix	1255-1258	4
α-helix	1263-1272	10
α-helix	1277-1279	3
α-helix	1281-1282	2
α-helix	1283-1290	8
α-helix	1291-1293	3
α-helix	1298-1301	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

>5HHW_1 Insulin receptor (chains A)
MVFPSSVYVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESA
SLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAE
NNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRNLAARNCMVAHDFTVKIGDFGMTRD
IYETDYYRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNE
QVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPKMRPTFLEIVNLLKDDLHPSFPEVSF
FHSEENK

Ligands and cofactors

ID	Name	Formula	Copies
60O	7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]p…	C26 H33 N5 O2	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors. Stauffer, F., Cowan-Jacob, S.W., Scheufler, C. et al. Bioorg Med Chem Lett (2016) 26:2065-2067. DOI 10.1016/j.bmcl.2016.02.074 · 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
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
5E1S 2.26 Å, The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578

Browse structure collections

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