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MolNFT v1 · #163588 · protein

Native crystal structure of ergothioneine degrading enzyme ergothionase from treponema denticola

6S7J · Uncharacterized protein: “Native crystal structure of ergothioneine degrading enzyme ergothionase from treponema denticola”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #163588 on GenesisL1: 3D structure…

PDB
6S7J
Type
protein
Length
3,973 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
M2BPW8
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 60% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, D, E, GUncharacterized proteinprotein49759% helix, 7% strandM2BPW8
CUncharacterized proteinprotein49660% helix, 7% strandM2BPW8
F, HUncharacterized proteinprotein49660% helix, 7% strandM2BPW8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.800.9842empty
21060.790.9832empty
31010.780.9830empty
4940.770.9728empty
5900.770.9831empty

Interfaces

14 interfaces between chains.

  • E–F · 3667 Ų buried · 58 hydrogen bonds · protein-protein
  • G–H · 3663 Ų buried · 61 hydrogen bonds · protein-protein
  • C–D · 3624 Ų buried · 58 hydrogen bonds · protein-protein
  • A–B · 3612 Ų buried · 52 hydrogen bonds · protein-protein
  • E–G · 3537 Ų buried · 53 hydrogen bonds · protein-protein

Compared structures

  • 6S7J · Native crystal structure of ergothioneine degrading enzyme Ergothionase from Treponema… · the same entry in another collection · chain G against G, TM-score 1.00

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