5FXS: IGFR-1R complex with a pyrimidine inhibitor

IGFR-1R complex with a pyrimidine inhibitor. Determined by X-ray diffraction at 1.9 Å resolution. Released 19 Oct 2016.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: HOMO SAPIENS
Chains: 1
Atoms: 2,730
Mol. weight: 35.85 kDa
Ligands: OZN
Released: 19 Oct 2016

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

Secondary structure: helices and β-sheets

5FXS contains 23 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: 23 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	993	1	1
α-helix	996-998	3
β-strand	999-1007	9	1
β-strand	1012-1022	11	1
β-strand	1025-1035	11	1
α-helix	1041-1051	11
α-helix	1052-1056	5
β-strand	1062	1	2
α-helix	1063-1064	2
β-strand	1065-1069	5	1
β-strand	1075-1080	6	1
β-strand	1086	1	2
α-helix	1087-1093	7
α-helix	1096-1097	2
α-helix	1104-1108	5
α-helix	1109-1128	20
α-helix	1138-1140	3
β-strand	1141-1143	3	2
β-strand	1149-1151	3	2
α-helix	1152	1
α-helix	1162-1164	3
β-strand	1166-1167	2	3
β-strand	1173-1174	2	3
α-helix	1176-1178	3
α-helix	1181-1186	6
α-helix	1191-1207	17
α-helix	1210-1211	2
α-helix	1218-1226	9
α-helix	1231-1234	4
α-helix	1239-1248	10
α-helix	1253-1255	3
α-helix	1257-1258	2
α-helix	1259-1266	8
α-helix	1267-1269	3
α-helix	1274-1277	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Insulin-like growth factor 1 receptor	A	protein	308	HOMO SAPIENS	P08069 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5FXS_1 INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR (chains A)
SYFSAADVYVPDEWEVAREKITMSRELGQGSFGMVYEGVAKGVVKDEPETRVAIKTVNEA
ASMRERIEFLNEASVMKEFNCHHVVRLLGVVSQGQPTLVIMELMTRGDLKSYLRSLRPEM
ENNPVLAPPSLSKMIQMAGEIADGMAYLNANKFVHRDLAARNCMVAEDFTVKIGDFGMTR
AIYETDYYRKGGKGLLPVRWMSPESLKDGVFTTYSDVWSFGVVLWEIATLAEEPYQGLSN
EQVLRFVMEGGLLDKPDNCPDMLFELMRMCWQYNPKMRPSFLEIISSIKEEMEPGFREVS
FYYSEENK

Ligands and cofactors

ID	Name	Formula	Copies
OZN	2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl…	C25 H30 Cl N9 O	1

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

Primary citation

Discovery of a Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-ylamino)-pyrimidine Inhibitor of the Insulin-like Growth Factor-1 Receptor (IGF-1R). Degorce, S.L., Boyd, S., Curwen, J.O. et al. J Med Chem (2016) 59:4859-4866. DOI 10.1021/acs.jmedchem.6b00203 · 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
2OJ9 2.0 Å, Structure of IGF-1R kinase domain complexed with a benzimidazole inhibitor
3I81 2.08 Å, Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with…
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…

Browse structure collections

About this viewer

MolViewer shows 5FXS directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.