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MolNFT v1 · #182845 · protein

Structure of MMPL3 reconstituted into lipid nanodisc in the tmm bound state

7N6B · MMPL3 transporter: “Structure of MMPL3 reconstituted into lipid nanodisc in the tmm bound state”. Electron microscopy, 1 ligand (0HJ), 7 pockets (best druggability 0.79). MolNFT v1 #182845 on GenesisL1: 3D structure, binding sites…

PDB
7N6B
Type
protein
Length
757 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MMPL3 transporter
UniProt
I7G2R2
Ligands
0HJ
Pockets
7 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 65% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMMPL3 transporterprotein75765% helix, 6% strandI7G2R2

Ligands and binding sites

  • 0HJ · 6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside · ligand · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19890.790.81700HJ
2530.690.9721empty
31980.690.8725empty
41270.420.7622empty
5570.380.8112empty

Compared structures

  • 7N6B · Structure of MmpL3 reconstituted into lipid nanodisc in the TMM bound state · the same entry in another collection · chain A against A, TM-score 1.00

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