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Heterodimeric ABC exporter tmrab under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate

Analyse Heterodimeric ABC exporter tmrab under turnover conditions in asymmetric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6RAM
Type
protein
Length
1,281 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multidrug resistance ABC transporter ATP-binding and permease protein; Nanobody NB9F10
UniProt
Q72J05, Q72J04
Ligands
ADP, ATP, MG
Pockets
19 · best druggability 0.84

Structure

electron microscopy · 3 distinct chains · 56% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMultidrug resistance ABC transporter ATP-binding and permease proteinprotein58861% helix, 9% strandQ72J05
BMultidrug resistance ABC transporter ATP-binding and permease proteinprotein57262% helix, 11% strandQ72J04
CNanobody NB9F10protein1212% helix, 50% strand—

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A, B
  • ATP · Adenosine-5'-triphosphate · ligand · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14020.840.9255empty
28830.830.8567ATP, MG
33630.830.9256empty
42440.780.9237empty
52490.780.9134empty

Interfaces

2 interfaces between chains.

  • A–B · 7985 Ų buried · 33 hydrogen bonds · protein-protein
  • B–C · 703 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6RAM · Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return… · the same entry in another collection · chain A against A, TM-score 1.00

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