3I81: Insulin-like growth factor 1 receptor

Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]. Determined by X-ray diffraction at 2.08 Å resolution. Released 22 Dec 2009.

Method: X-ray diffraction
Resolution: 2.08 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,583
Mol. weight: 36.37 kDa
Ligands: EBI
Released: 22 Dec 2009

Explore 3I81 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3I81 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
β-strand	963	1	1
α-helix	966-968	3
β-strand	969-977	9	1
β-strand	982-988	7	1
β-strand	998-1004	7	1
α-helix	1011-1021	11
α-helix	1022-1026	5
β-strand	1032	1	2
α-helix	1033-1034	2
β-strand	1035-1039	5	1
β-strand	1046-1050	5	1
β-strand	1056	1	2
α-helix	1057-1063	7
α-helix	1074-1078	5
α-helix	1079-1098	20
α-helix	1108-1110	3
β-strand	1111-1113	3	2
β-strand	1119-1121	3	2
α-helix	1132-1134	3
β-strand	1136	1	3
β-strand	1144	1	3
α-helix	1146-1148	3
α-helix	1151-1156	6
α-helix	1161-1177	17
α-helix	1180-1181	2
α-helix	1188-1196	9
α-helix	1201-1204	4
α-helix	1209-1218	10
α-helix	1223-1225	3
α-helix	1227-1228	2
α-helix	1229-1236	8
α-helix	1237-1239	3
α-helix	1244-1247	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Insulin-like growth factor 1 receptor	A	protein	315	Homo sapiens	P08069 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3I81_1 Insulin-like growth factor 1 receptor (chains A)
MVSAADVYVPDEWEVAREKITMSRELGQGSFGMVYEGVAKGVVKDEPETRVAIKTVNEAA
SMRERIEFLNEASVMKEFNCHHVVRLLGVVSQGQPTLVIMELMTRGDLKSYLRSLRPEME
NNPVLAPPSLSKMIQMAGEIADGMAYLNANKFVHRDLAARNCMVAEDFTVKIGDFGMTRD
IYETDYYRKGGKGLLPVRWMSPESLKDGVFTTYSDVWSFGVVLWEIATLAEQPYQGLSNE
QVLRFVMEGGLLDKPDNCPDMLFELMRMCWQYNPKMRPSFLEIISSIKEEMEPGFREVSF
YYSEENKMENNPVLA

Ligands and cofactors

ID	Name	Formula	Copies
EBI	1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N…	C23 H24 F N9 O	1

Primary citation

Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. Wittman, M.D., Carboni, J.M., Yang, Z. et al. J Med Chem (2009) 52:7360-7363. DOI 10.1021/jm900786r · PubMed

Other PDB entries of the same protein (UniProt P08069 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1P4O 1.5 Å, Structure of Apo unactivated IGF-1R KInase domain at 1.5A resolution.
8PYN 1.71 Å, Human IGF1R with inhibitor 56
3LW0 1.79 Å, IGF-1RK in complex with ligand MSC1609119A-1
5FXS 1.9 Å, IGFR-1R complex with a pyrimidine inhibitor.
2OJ9 2.0 Å, Structure of IGF-1R kinase domain complexed with a benzimidazole inhibitor
1JQH 2.1 Å, IGF-1 receptor kinase domain
1K3A 2.1 Å, Structure of the Insulin-like Growth Factor 1 Receptor Kinase
3O23 2.1 Å, Human unphosphorylated IGF1-R Kinase domain in complex with an hydantoin inhibitor
4D2R 2.1 Å, Human IGF in complex with a Dyrk1B inhibitor
3NW7 2.11 Å, Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a…
3NW5 2.14 Å, Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a…
3NW6 2.2 Å, Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a…

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