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MolNFT v1 · #56731 · protein

Crystal structure of human F-spondin reeler domain (fragment 2)

2ZOU · Spondin-1: “Crystal structure of human F-spondin reeler domain (fragment 2)”. X-ray diffraction, 3 pockets (best druggability 0.64). MolNFT v1 #56731 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2ZOU
Type
protein
Length
275 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spondin-1
UniProt
Q9HCB6
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpondin-1protein1352% helix, 46% strandQ9HCB6
BSpondin-1protein1402% helix, 43% strandQ9HCB6

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 6 copies · 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
1530.640.9417empty
2800.330.7512empty
3560.290.7520empty

Interfaces

1 interface between chains.

  • A–B · 525 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 2ZOU · Crystal structure of human F-spondin reeler domain (fragment 2) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HCB6 · AlphaFold monomer V2.0 prediction for spondin-1 (Q9HCB6) · a predicted model of the same protein · chain A against A, TM-score 0.94

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