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Acinetobacter mlafedb complex in ATP-bound VTRANS1 conformation

Analyse Acinetobacter mlafedb complex in ATP-bound VTRANS1 conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7D08
Type
protein
Length
2,374 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Intermembrane phospholipid transport system permease protein mlae; ABC transporter…
UniProt
V5V9F4, A0A086HZU3, V5V9K5, V5V921
Ligands
ATP
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 4 distinct chains · 46% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DIntermembrane phospholipid transport system permease protein mlaeprotein25677% helix, 0% strandV5V9F4
B, EABC transporter ATP-binding proteinprotein26332% helix, 16% strandA0A086HZU3
C, FAnti-sigma factor antagonistprotein9534% helix, 14% strandV5V9K5
G, H, I, J, K, LMce family proteinprotein19129% helix, 20% strandV5V921

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, 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, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15550.840.8952empty
26020.820.8785empty
34110.780.8764empty
45520.760.8370empty
57720.740.7975empty

Interfaces

31 interfaces between chains.

  • B–E · 2050 Ų buried · 18 hydrogen bonds · protein-protein
  • A–D · 1642 Ų buried · 2 hydrogen bonds · protein-protein
  • G–L · 1159 Ų buried · 13 hydrogen bonds · protein-protein
  • I–J · 1135 Ų buried · 7 hydrogen bonds · protein-protein
  • A–G · 1068 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7D08 · Acinetobacter MlaFEDB complex in ATP-bound Vtrans1 conformation · the same entry in another collection · chain A against A, TM-score 1.00

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