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Crystal structure of monophosphorylated FGF receptor 2 isoform iiib with PTR657

Analyse Crystal structure of monophosphorylated FGF receptor 2 isoform iiib with PTR657 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6V6Q
Type
protein
Length
1,132 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, MG
Pockets
12 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFibroblast growth factor receptor 2 (EC 2.7.10.1)protein28641% helix, 17% strandP21802
BFibroblast growth factor receptor 2 (EC 2.7.10.1)protein29140% helix, 15% strandP21802
CFibroblast growth factor receptor 2 (EC 2.7.10.1)protein27939% helix, 18% strandP21802
DFibroblast growth factor receptor 2 (EC 2.7.10.1)protein27641% helix, 18% strandP21802

Ligands and binding sites

  • ACP · Phosphomethylphosphonic acid adenylate ester · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111350.840.8599ACP, MG
211770.820.8387ACP, MG
33640.610.7737empty
42020.470.7521empty
5660.440.8213empty

Interfaces

4 interfaces between chains.

  • A–B · 1530 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 1346 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 743 Ų buried · 18 hydrogen bonds · protein-protein
  • A–D · 80 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 2 modified (disulfide, phosphorylation).

Compared structures

  • 6V6Q · Crystal Structure of Monophosphorylated FGF Receptor 2 isoform IIIb with PTR657 · 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 0.99

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