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MolNFT v1 · #68516 · protein

Crystal structure of uncharacterized protein WS1659 from wolinella succinogenes

3JYG: “Crystal structure of uncharacterized protein WS1659 from wolinella succinogenes”. X-ray diffraction, 1 ligand (ZN), 10 pockets (best druggability 0.80). MolNFT v1 #68516 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3JYG
Type
protein
Length
1,080 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
Q7MR56
Ligands
ZN
Pockets
10 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FUncharacterized proteinprotein18033% helix, 35% strandQ7MR56

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111030.800.8286empty
27350.720.7866empty
38030.720.7863empty
41320.480.7925empty
51210.480.7926empty

Interfaces

8 interfaces between chains.

  • A–E · 1270 Ų buried · 18 hydrogen bonds · protein-protein
  • C–F · 1261 Ų buried · 21 hydrogen bonds · protein-protein
  • D–F · 1256 Ų buried · 15 hydrogen bonds · protein-protein
  • B–E · 1236 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 1230 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3JYG · Crystal structure of uncharacterized protein WS1659 from Wolinella succinogenes · the same entry in another collection · chain A against A, TM-score 1.00

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