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MolNFT v1 · #80051 · protein

Microcin C7 self immunity protein mccf in the wild type apo state

3TLA: “Microcin C7 self immunity protein mccf in the wild type apo state”. X-ray diffraction, 6 pockets (best druggability 0.60). MolNFT v1 #80051 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3TLA
Type
protein
Length
670 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mccf
UniProt
Q2KKH9
Pockets
6 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMccfprotein33531% helix, 23% strandQ2KKH9

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.600.8820EDO
22920.570.7743empty
32700.560.7736empty
4930.550.8525empty
5550.310.7511empty

Interfaces

1 interface between chains.

  • A–B · 1886 Ų buried · 43 hydrogen bonds · protein-protein

Compared structures

  • 3TLA · Microcin C7 self immunity protein MccF in the wild type APO state · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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