GL1X · GenesisL1 explorer

MolNFT v1 · #90194 · protein

Cobra ngf in complex with lipid

4EC7 · Venom nerve growth factor: “Cobra ngf in complex with lipid”. X-ray diffraction, 1 ligand (L44), 3 pockets (best druggability 0.72). MolNFT v1 #90194 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4EC7
Type
protein
Length
216 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Venom nerve growth factor
UniProt
P61898
Ligands
L44
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 65% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BVenom nerve growth factorprotein1080% helix, 65% strandP61898

Ligands and binding sites

  • L44 · (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate · ligand · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12540.720.8631L44
2570.290.7513empty
3500.290.7614empty

Interfaces

1 interface between chains.

  • A–B · 1429 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 4EC7 · Cobra NGF in complex with lipid · the same entry in another collection · chain A against A, TM-score 1.00
  • P61898 · AlphaFold monomer V2.0 prediction for venom nerve growth factor (P61898) · a predicted model of the same protein · chain A against A, TM-score 0.96

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