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MolNFT v1 · #63747 · protein

Crystal structure of the C-src-SH3 domain

3FJ5 · Proto-oncogene tyrosine-protein kinase src: “Crystal structure of the C-src-SH3 domain”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.65). MolNFT v1 #63747 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3FJ5
Type
protein
Length
114 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
Ligands
SO4
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProto-oncogene tyrosine-protein kinase src (EC 2.7.10.2)protein575% helix, 44% strandP00523

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A, B
  • ACT · Acetate ion · additive · 3 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.650.9214PGE

Interfaces

1 interface between chains.

  • A–B · 2418 Ų buried · 40 hydrogen bonds · protein-protein

Compared structures

  • 3FJ5 · Crystal structure of the c-src-SH3 domain · the same entry in another collection · chain B against B, TM-score 1.00

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