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MolNFT v1 · #161066 · protein

Cryo-EM structure of RET/GFRA1/GDNF extracellular complex

6Q2N · Glial cell line-derived neurotrophic factor: “Cryo-EM structure of RET/GFRA1/GDNF extracellular complex”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.77). MolNFT v1 #161066 on GenesisL1: 3D structure, binding…

PDB
6Q2N
Type
protein
Length
1,678 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glial cell line-derived neurotrophic factor; Gdnf family receptor alpha-1; Proto-oncogene…
EC
2.7.10.1
UniProt
P39905, P56159, P07949
Ligands
CA
Pockets
20 · best druggability 0.77

Structure

electron microscopy · 3 distinct chains · 20% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlial cell line-derived neurotrophic factorprotein8610% helix, 28% strandP39905
C, DGdnf family receptor alpha-1protein20059% helix, 3% strandP56159
E, FProto-oncogene tyrosine-protein kinase receptor ret (EC 2.7.10.1)protein5537% helix, 38% strandP07949

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains E, F

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11320.770.9522empty
29820.760.7979empty
310070.760.7880empty
41290.750.9424empty
55760.730.8070empty

Interfaces

9 interfaces between chains.

  • D–F · 1073 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 1041 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1035 Ų buried · 10 hydrogen bonds · protein-protein
  • C–E · 995 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 948 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 51 disulfide (disulfide).

Compared structures

  • 6Q2N · Cryo-EM structure of RET/GFRa1/GDNF extracellular complex · the same entry in another collection · chain F against F, TM-score 1.00
  • P56159 · AlphaFold monomer V2.0 prediction for gdnf family receptor alpha-1 (P56159) · a predicted model of the same protein · chain D against A, TM-score 0.96
  • P07949 · AlphaFold monomer V2.0 prediction for proto-oncogene tyrosine-protein kinase receptor ret… · a predicted model of the same protein · chain E against A, TM-score 0.96
  • P39905 · AlphaFold monomer V2.0 prediction for glial cell line-derived neurotrophic factor (P39905) · a predicted model of the same protein · chain B against A, TM-score 0.85

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