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MolNFT v1 · #150129 · protein

Structure of E COLI mlac in variously loaded states

6GKI · Probable phospholipid-binding protein mlac: “Structure of E COLI mlac in variously loaded states”. X-ray diffraction, 1 ligand (BR), 4 pockets (best druggability 0.81). MolNFT v1 #150129 on GenesisL1: 3D structure, binding sites and…

PDB
6GKI
Type
protein
Length
370 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable phospholipid-binding protein mlac
UniProt
P0ADV7
Ligands
BR
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable phospholipid-binding protein mlacprotein18553% helix, 17% strandP0ADV7
BProbable phospholipid-binding protein mlacprotein18556% helix, 19% strandP0ADV7

Ligands and binding sites

  • BR · Bromide ion · ion · 10 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15230.810.8748empty
22470.560.7834empty
31690.520.7835empty
4550.410.8223empty

Interfaces

1 interface between chains.

  • A–B · 571 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6GKI · Structure of E coli MlaC in Variously Loaded States · the same entry in another collection · chain A against A, TM-score 1.00
  • P0ADV7 · AlphaFold monomer V2.0 prediction for intermembrane phospholipid transport system binding… · a predicted model of the same protein · chain B against A, TM-score 0.98

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