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MolNFT v1 · #137836 · protein

Crystal structure of full-length kluyveromyces lactis KAP123 with histone H4 1-34

5W0V: “Crystal structure of full-length kluyveromyces lactis KAP123 with histone H4 1-34”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #137836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5W0V
Type
protein
Length
2,033 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
KAP123; Histone H4 1-34
UniProt
Q6CMF0
Pockets
20 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKAP123protein101778% helix, 0% strandQ6CMF0
BKAP123protein100379% helix, 0% strandQ6CMF0
CHistone H4 1-34protein70% helix, 0% strand—
DHistone H4 1-34protein60% helix, 0% strand—

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15330.710.8065empty
22410.610.8135empty
33390.610.7836empty
42520.550.7739empty
52480.550.7728empty

Interfaces

3 interfaces between chains.

  • A–B · 585 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 563 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 546 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5W0V · Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H4 1-34 · the same entry in another collection · chain A against A, TM-score 1.00

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