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MolNFT v1 · #123377 · protein

Crystal structure of GDF8

5JI1 · GROWTH/DIFFERENTIATION factor 8: “Crystal structure of GDF8”. X-ray diffraction, 1 pocket (best druggability 0.31). MolNFT v1 #123377 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5JI1
Type
protein
Length
187 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GROWTH/DIFFERENTIATION factor 8
UniProt
O08689
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGROWTH/DIFFERENTIATION factor 8protein954% helix, 52% strandO08689
BGROWTH/DIFFERENTIATION factor 8protein924% helix, 53% strandO08689

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 7 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.310.7619empty

Interfaces

1 interface between chains.

  • A–B · 648 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

  • 5JI1 · Crystal Structure of GDF8 · the same entry in another collection · chain A against A, TM-score 1.00
  • O08689 · AlphaFold monomer V2.0 prediction for GROWTH/DIFFERENTIATION factor 8 (O08689) · a predicted model of the same protein · chain B against A, TM-score 0.89

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