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MolNFT v1 · #61575 · protein

Crystal structure of cpaf S499A mutant

3DPN · Protein CT_858: “Crystal structure of cpaf S499A mutant”. X-ray diffraction, 15 pockets (best druggability 0.82). MolNFT v1 #61575 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3DPN
Type
protein
Length
1,074 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein CT_858
UniProt
O84866
Pockets
15 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein CT_858protein53731% helix, 20% strandO84866

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17410.820.8583empty
23160.780.8944empty
32790.780.9039empty
44110.770.8643empty
51330.700.9027empty

Interfaces

1 interface between chains.

  • A–B · 342 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3DPN · Crystal Structure of cpaf s499a mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • O84866 · AlphaFold monomer V2.0 prediction for protein CT_858 (O84866) · a predicted model of the same protein · chain A against A, TM-score 0.99

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