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MolNFT v1 · #109255 · protein

Crystal structure of binary complex GON7-PCC1

4WXA · EKC/KEOPS complex subunit PCC1: “Crystal structure of binary complex GON7-PCC1”. X-ray diffraction, 2 pockets (best druggability 0.58). MolNFT v1 #109255 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4WXA
Type
protein
Length
432 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
EKC/KEOPS complex subunit PCC1; EKC/KEOPS complex subunit GON7
UniProt
Q3E833, P46984
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 5 distinct chains · 52% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEKC/KEOPS complex subunit PCC1protein8443% helix, 29% strandQ3E833
CEKC/KEOPS complex subunit PCC1protein7841% helix, 31% strandQ3E833
DEKC/KEOPS complex subunit GON7protein6862% helix, 15% strandP46984
EEKC/KEOPS complex subunit GON7protein6962% helix, 16% strandP46984
FEKC/KEOPS complex subunit GON7protein4957% helix, 22% strandP46984

Ligands and binding sites

  • GOL · Glycerol · additive · chains A
  • ACT · Acetate ion · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13520.580.7641empty
22120.550.7827empty

Interfaces

6 interfaces between chains.

  • B–E · 1206 Ų buried · 18 hydrogen bonds · protein-protein
  • C–F · 1143 Ų buried · 19 hydrogen bonds · protein-protein
  • D–F · 369 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 363 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 350 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • P46984 · AlphaFold monomer V2.0 prediction for EKC/KEOPS complex subunit GON7 (P46984) · a predicted model of the same protein · chain F against A, TM-score 0.96
  • Q3E833 · AlphaFold monomer V2.0 prediction for EKC/KEOPS complex subunit PCC1 (Q3E833) · a predicted model of the same protein · chain C against A, TM-score 0.93

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