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MolNFT v1 · #114280 · protein

Human FGFR1 kinase in complex with CH5183284

5B7V · Fibroblast growth factor receptor 1: “Human FGFR1 kinase in complex with CH5183284”. X-ray diffraction, 2 ligands (LWJ, SO4), 4 pockets (best druggability 0.73). MolNFT v1 #114280 on GenesisL1: 3D structure, binding sites and…

PDB
5B7V
Type
protein
Length
559 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibroblast growth factor receptor 1
EC
2.7.10.1
UniProt
P11362
Ligands
LWJ, SO4
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFibroblast growth factor receptor 1 (EC 2.7.10.1)protein28239% helix, 15% strandP11362
BFibroblast growth factor receptor 1 (EC 2.7.10.1)protein27740% helix, 16% strandP11362

Ligands and binding sites

  • LWJ · [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17590.730.7890empty
25620.680.7755LWJ
36060.670.7758LWJ
4620.270.7317empty

Interfaces

1 interface between chains.

  • A–B · 481 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5B7V · Human FGFR1 kinase in complex with CH5183284 · the same entry in another collection · chain A against A, TM-score 1.00
  • P11362 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 1 (P11362) · a predicted model of the same protein · chain B against A, TM-score 0.93

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