MolNFT v1 · #166939 · protein

EGFR(T790M/V948R) in complex with LN2725

6V5P · Epidermal growth factor receptor: “EGFR(T790M/V948R) in complex with LN2725”. X-ray diffraction, 2 ligands (QP4, CL), 20 pockets (best druggability 0.86). MolNFT v1 #166939 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6V5P
Type: protein
Length: 1,216 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Epidermal growth factor receptor
EC: 2.7.10.1
UniProt: P00533
Ligands: QP4, CL
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Epidermal growth factor receptor (EC 2.7.10.1)	protein	314	40% helix, 16% strand	P00533
B	Epidermal growth factor receptor (EC 2.7.10.1)	protein	299	41% helix, 17% strand	P00533
C	Epidermal growth factor receptor (EC 2.7.10.1)	protein	295	42% helix, 16% strand	P00533
D	Epidermal growth factor receptor (EC 2.7.10.1)	protein	308	43% helix, 17% strand	P00533

Ligands and binding sites

QP4 · 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine · ligand · 4 copies · chains A, D, B, C
CL · Chloride ion · ion · 3 copies · chains A, B, D

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1198	0.86	0.86	109	QP4, CL
2	766	0.85	0.88	78	QP4, CL
3	762	0.82	0.85	85	QP4, CL
4	298	0.70	0.84	41	QP4
5	224	0.67	0.85	25	empty

Interfaces

6 interfaces between chains.

C–D · 1704 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1636 Å² buried · 22 hydrogen bonds · protein-protein
A–D · 605 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 433 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 69 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6V5P · EGFR(T790M/V948R) in complex with LN2725 · the same entry in another collection · chain D against D, TM-score 1.00
P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain C against A, TM-score 0.90

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 P00533
Elsewhere: RCSB PDB 6V5P · PDBe 6V5P · UniProt P00533

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.