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MolNFT v1 · #48523 · protein

Crystal structure of FGF receptor 2 (FGFR2) kinase domain harboring the pathogenic K659N mutation responsible for an unclassified craniosynostosis syndrome.

2PVY · Fibroblast growth factor receptor 2: “Crystal structure of FGF receptor 2 (FGFR2) kinase domain harboring the pathogenic K659N mutation responsible…”. X-ray diffraction, 2 ligands (ACP, SO4), 19 pockets (best druggability 0.73).…

PDB
2PVY
Type
protein
Length
1,142 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibroblast growth factor receptor 2
EC
2.7.10.1
UniProt
P21802
Ligands
ACP, SO4
Pockets
19 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFibroblast growth factor receptor 2 (EC 2.7.10.1)protein28840% helix, 18% strandP21802
BFibroblast growth factor receptor 2 (EC 2.7.10.1)protein28640% helix, 15% strandP21802
CFibroblast growth factor receptor 2 (EC 2.7.10.1)protein28539% helix, 16% strandP21802
DFibroblast growth factor receptor 2 (EC 2.7.10.1)protein28339% helix, 18% strandP21802

Ligands and binding sites

  • ACP · Phosphomethylphosphonic acid adenylate ester · ligand · 4 copies · chains A, B, D, C
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

19 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16190.730.8073ACP
24670.680.7952ACP
36950.650.7453SO4
44240.610.7644empty
51720.570.8128ACP

Interfaces

4 interfaces between chains.

  • A–C · 1477 Ų buried · 22 hydrogen bonds · protein-protein
  • B–D · 1375 Ų buried · 19 hydrogen bonds · protein-protein
  • A–D · 838 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 812 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 2PVY · Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic K659N… · the same entry in another collection · chain D against D, TM-score 1.00
  • P21802 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 2 (P21802) · a predicted model of the same protein · chain D against A, TM-score 0.98

Analyse

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