MolNFT v1 · #38759 · protein

Src kinase in complex with a quinazoline inhibitor

2H8H · Proto-oncogene tyrosine-protein kinase src: “Src kinase in complex with a quinazoline inhibitor”. X-ray diffraction, 1 ligand (H8H), 3 pockets (best druggability 0.72). MolNFT v1 #38759 on GenesisL1: 3D structure, binding sites and…

PDB: 2H8H
Type: protein
Length: 445 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proto-oncogene tyrosine-protein kinase src
EC: 2.7.10.2
UniProt: P12931
Ligands: H8H
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2)	protein	445	30% helix, 24% strand	P12931

Ligands and binding sites

H8H · N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	402	0.72	0.83	42	H8H
2	1045	0.72	0.76	87	empty
3	425	0.57	0.74	34	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

2H8H · Src kinase in complex with a quinazoline 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 P12931
Elsewhere: RCSB PDB 2H8H · PDBe 2H8H · UniProt P12931

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