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MolNFT v1 · #153846 · protein

The structure of co-crystals of 8R-B-EGFR wt complex

6JRK · Epidermal growth factor receptor: “The structure of co-crystals of 8R-B-EGFR wt complex”. X-ray diffraction, 1 ligand (C6O), 2 pockets (best druggability 0.57). MolNFT v1 #153846 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6JRK
Type
protein
Length
283 residues
Chains
1
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
C6O
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEpidermal growth factor receptor (EC 2.7.10.1)protein28340% helix, 17% strandP00533

Ligands and binding sites

  • C6O · 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12440.570.7828C6O
21560.460.7621empty

Compared structures

  • 6JRK · The structure of co-crystals of 8r-B-EGFR WT complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain A against A, TM-score 0.95

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