MolNFT v1 · #49246 · protein

Crystal structure of drug resistant src kinase domain

2QI8 · Proto-oncogene tyrosine-protein kinase src: “Crystal structure of drug resistant src kinase domain”. X-ray diffraction, 3 pockets (best druggability 0.73). MolNFT v1 #49246 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2QI8
Type: protein
Length: 504 residues
Chains: 2
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: P00523
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2)	protein	255	41% helix, 15% strand	P00523
B	Proto-oncogene tyrosine-protein kinase src (EC 2.7.10.2)	protein	249	36% helix, 16% strand	P00523

Ligands and binding sites

GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	984	0.73	0.77	93	empty
2	171	0.52	0.78	22	empty
3	120	0.35	0.73	24	empty

Interfaces

1 interface between chains.

A–B · 395 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2QI8 · Crystal structure of drug resistant SRC kinase domain · the same entry in another collection · chain B against B, 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 P00523
Elsewhere: RCSB PDB 2QI8 · PDBe 2QI8 · UniProt P00523

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