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MolNFT v1 · #170546 · protein

Crystal structure of a parallel hexameric coiled coil cc-TYPE2-(TASD)2

6YB0: “Crystal structure of a parallel hexameric coiled coil cc-TYPE2-(TASD)2”. X-ray diffraction, 4 pockets (best druggability 0.88). MolNFT v1 #170546 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YB0
Type
protein
Length
442 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cc-TYPE2-(TASD)2
Pockets
4 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 95% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, D, E, G, H, I, J, K, LCc-TYPE2-(TASD)2protein3795% helix, 0% strand—
B, FCc-TYPE2-(TASD)2protein3694% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18470.880.9083empty
28270.880.9080empty
33840.670.8050empty
4740.430.8014empty

Interfaces

16 interfaces between chains.

  • A–F · 898 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 893 Ų buried · 4 hydrogen bonds · protein-protein
  • I–J · 888 Ų buried · 3 hydrogen bonds · protein-protein
  • G–L · 887 Ų buried · 6 hydrogen bonds · protein-protein
  • D–E · 885 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6YB0 · Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaSd)2 · the same entry in another collection · chain A against A, TM-score 1.00

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