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MolNFT v1 · #109768 · protein

Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form II

4XCI · Thermosome subunit beta: “Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form II”. X-ray diffraction, 10 pockets (best druggability 0.82). MolNFT v1 #109768 on GenesisL1: 3D structure, binding sites…

PDB
4XCI
Type
protein
Length
762 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thermosome subunit beta; Thermosome subunit alpha
UniProt
Q9V2T8, Q9V2S9
Pockets
10 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BThermosome subunit betaprotein44951% helix, 16% strandQ9V2T8
AThermosome subunit alphaprotein31361% helix, 9% strandQ9V2S9

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17970.820.8576empty
25410.800.8645empty
31960.690.8635empty
42020.510.7724empty
51120.510.8018empty

Interfaces

1 interface between chains.

  • B–A · 1198 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 4XCI · Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form II · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9V2S9 · AlphaFold monomer V2.0 prediction for thermosome subunit alpha (Q9V2S9) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q9V2T8 · AlphaFold monomer V2.0 prediction for thermosome subunit beta (Q9V2T8) · a predicted model of the same protein · chain B against A, TM-score 0.96

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