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MolNFT v1 · #167687 · protein

Single particle reconstruction of hemq from geobacillus based on data acquired in the presence of substantial aberrations

6VSA: “Single particle reconstruction of hemq from geobacillus based on data acquired in the presence of substantial…”. Electron microscopy, 20 pockets (best druggability 0.67). MolNFT v1 #167687 on GenesisL1: 3D structure, binding sites…

PDB
6VSA
Type
protein
Length
1,175 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemq
EC
1.11.1.-
UniProt
A0A0E0TGF4
Pockets
20 · best druggability 0.67

Structure

electron microscopy · 1 distinct chain · 40% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
V, W, X, Y, ZHemq (EC 1.11.1.-)protein23540% helix, 31% strandA0A0E0TGF4

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15870.670.7636empty
25080.660.7737empty
35190.650.7742empty
45580.650.7641empty
55030.640.7639empty

Interfaces

5 interfaces between chains.

  • X–Y · 1759 Ų buried · 31 hydrogen bonds · protein-protein
  • V–W · 1756 Ų buried · 30 hydrogen bonds · protein-protein
  • X–Z · 1754 Ų buried · 30 hydrogen bonds · protein-protein
  • W–Y · 1750 Ų buried · 31 hydrogen bonds · protein-protein
  • V–Z · 1750 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 6VSA · Single particle reconstruction of HemQ from Geobacillus based on data acquired in the… · the same entry in another collection · chain V against V, TM-score 1.00

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