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MolNFT v1 · #114691 · protein

Crystal structure of pentameric KCTD1 btb domain form 2

5BXD · BTB/POZ domain-containing protein KCTD1: “Crystal structure of pentameric KCTD1 btb domain form 2”. X-ray diffraction, 8 pockets (best druggability 0.47). MolNFT v1 #114691 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5BXD
Type
protein
Length
522 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BTB/POZ domain-containing protein KCTD1
UniProt
Q719H9
Pockets
8 · best druggability 0.47

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABTB/POZ domain-containing protein KCTD1protein10141% helix, 11% strandQ719H9
B, CBTB/POZ domain-containing protein KCTD1protein10441% helix, 14% strandQ719H9
DBTB/POZ domain-containing protein KCTD1protein10744% helix, 12% strandQ719H9
EBTB/POZ domain-containing protein KCTD1protein10642% helix, 18% strandQ719H9

Pockets

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.470.7817empty
21270.450.7719empty
31180.440.7717empty
41080.390.7518empty
5780.340.7521empty

Interfaces

4 interfaces between chains.

  • D–E · 871 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 870 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 867 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 817 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 5BXD · Crystal structure of pentameric KCTD1 BTB domain form 2 · the same entry in another collection · chain E against E, TM-score 1.00
  • Q719H9 · AlphaFold monomer V2.0 prediction for BTB/POZ domain-containing protein KCTD1 (Q719H9) · a predicted model of the same protein · chain E against A, TM-score 0.97

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