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Inhibitor bound to a dfg-in structure of the kinase domain of csf-1R

Analyse Inhibitor bound to a dfg-in structure of the kinase domain of csf-1R in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LCD
Type
protein
Length
290 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Macrophage colony-stimulating factor 1 receptor
EC
2.7.10.1
UniProt
P07333
Ligands
BDY, SO4
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMacrophage colony-stimulating factor 1 receptor (EC 2.7.10.1)protein29041% helix, 19% strandP07333

Ligands and binding sites

  • BDY · N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

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
14250.670.7938BDY

Compared structures

  • 3LCD · Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R · the same entry in another collection · chain A against A, TM-score 1.00
  • P07333 · AlphaFold monomer V2.0 prediction for macrophage colony-stimulating factor 1 receptor… · a predicted model of the same protein · chain A against A, TM-score 0.91

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