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Crystal structure of kshv ORF68

Analyse Crystal structure of kshv ORF68 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XF9
Type
protein
Length
2,124 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Packaging protein UL32
UniProt
P88958
Ligands
ZN
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 5 distinct chains · 56% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APackaging protein UL32protein42556% helix, 4% strandP88958
BPackaging protein UL32protein42457% helix, 3% strandP88958
CPackaging protein UL32protein42457% helix, 4% strandP88958
DPackaging protein UL32protein42655% helix, 4% strandP88958
EPackaging protein UL32protein42556% helix, 4% strandP88958

Ligands and binding sites

  • ZN · Zinc ion · metal · 15 copies · chains A, B, C, D, E

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18370.730.78110empty
2500.710.9918empty
3520.710.9817empty
4540.700.9819empty
55470.680.7865empty

Interfaces

5 interfaces between chains.

  • B–C · 1266 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1263 Ų buried · 16 hydrogen bonds · protein-protein
  • A–E · 1261 Ų buried · 18 hydrogen bonds · protein-protein
  • D–E · 1261 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 1211 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 6XF9 · Crystal structure of KSHV ORF68 · the same entry in another collection · chain A against A, TM-score 1.00

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