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Ancient vana

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

PDB
3SE7
Type
protein
Length
1,972 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vana
Ligands
ATP, MG
Pockets
16 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 28% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FVanaprotein32729% helix, 30% strand—
BVanaprotein32929% helix, 29% strand—
C, EVanaprotein33128% helix, 30% strand—
DVanaprotein32726% helix, 31% strand—

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 6 copies · chains A, B, C, D, E, F
  • MG · Magnesium ion · metal · 12 copies · chains A, B, C, D, E, F

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

Pockets

16 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19440.800.8292empty
23280.720.8551ATP, MG
33320.720.8549ATP, MG
43100.720.8550ATP, MG
52880.720.8650ATP, MG

Interfaces

9 interfaces between chains.

  • C–D · 1594 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1558 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 1541 Ų buried · 12 hydrogen bonds · protein-protein
  • C–E · 217 Ų buried · 0 hydrogen bonds · protein-protein
  • A–E · 160 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3SE7 · ancient VanA · the same entry in another collection · chain A against A, TM-score 1.00

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