MolNFT v1 · #88687 · protein

Human igf in complex with a DYRK1B inhibitor

4D2R · Insulin-like growth factor 1 receptor: “Human igf in complex with a DYRK1B inhibitor”. X-ray diffraction, 2 ligands (DYK, CL), 4 pockets (best druggability 0.65). MolNFT v1 #88687 on GenesisL1: 3D structure, binding sites and…

PDB: 4D2R
Type: protein
Length: 300 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: DYK, CL
Pockets: 4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Insulin-like growth factor 1 receptor (EC 2.7.10.1)	protein	300	39% helix, 18% strand	P08069

Ligands and binding sites

DYK · N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine · ligand · chains A
CL · Chloride ion · ion · 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	233	0.65	0.83	30	DYK
2	152	0.44	0.75	26	empty
3	69	0.36	0.77	18	empty
4	110	0.35	0.73	18	empty

Compared structures

4D2R · Human IGF in complex with a Dyrk1B 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 4D2R · PDBe 4D2R · UniProt P08069

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