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The coordinate of the hexameric terminase complex in the presence of the ADP-BEF3

Analyse The coordinate of the hexameric terminase complex in the presence of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6M5V
Type
protein
Length
1,359 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tripartite terminase subunit 3; Tripartite terminase subunit 1; Tripartite terminase…
EC
3.1.-.-
UniProt
P04295, P10212, B9VQG1
Ligands
ADP, BEF, ZN, MG
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 3 distinct chains · 46% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATripartite terminase subunit 3 (EC 3.1.-.-)protein58536% helix, 14% strandP04295
BTripartite terminase subunit 1protein67054% helix, 3% strandP10212
CTripartite terminase subunit 2protein10451% helix, 0% strandB9VQG1

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • BEF · Beryllium trifluoride ion · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains B, C
  • MG · Magnesium ion · metal · chains A

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17640.820.8584ADP
28780.770.8067empty
31080.760.9623empty
44600.730.8257empty
51400.650.8730empty

Interfaces

3 interfaces between chains.

  • A–B · 6349 Ų buried · 58 hydrogen bonds · protein-protein
  • B–C · 4655 Ų buried · 49 hydrogen bonds · protein-protein
  • A–C · 1062 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6M5V · The coordinate of the hexameric terminase complex in the presence of the ADP-BeF3 · the same entry in another collection · chain A against A, TM-score 1.00

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