MolNFT v1 · #119492 · protein

Igfr-1R complex with a pyrimidine inhibitor.

5FXS · Insulin-like growth factor 1 receptor: “Igfr-1R complex with a pyrimidine inhibitor.”. X-ray diffraction, 1 ligand (OZN), 4 pockets (best druggability 0.64). MolNFT v1 #119492 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5FXS
Type: protein
Length: 308 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Insulin-like growth factor 1 receptor
EC: 2.7.10.1
UniProt: P08069
Ligands: OZN
Pockets: 4 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Insulin-like growth factor 1 receptor (EC 2.7.10.1)	protein	308	37% helix, 18% strand	P08069

Ligands and binding sites

OZN · 2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide · ligand · chains A
ACT · Acetate ion · additive · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	207	0.64	0.83	24	OZN
2	178	0.46	0.75	30	empty
3	65	0.34	0.76	15	empty
4	78	0.31	0.73	17	empty

Compared structures

5FXS · IGFR-1R complex with a pyrimidine inhibitor. · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P08069
Elsewhere: RCSB PDB 5FXS · PDBe 5FXS · UniProt P08069

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