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MolNFT v1 · #59558 · protein

Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E. COLI ammonia channel amtb

3C1I: “Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E. COLI ammonia channel…”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #59558 on GenesisL1: 3D structure, binding sites and…

PDB
3C1I
Type
protein
Length
366 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ammonia channel
UniProt
P69681
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmmonia channelprotein36674% helix, 2% strandP69681

Ligands and binding sites

  • ACT · Acetate ion · additive · chains A
  • LDA · Lauryl dimethylamine-N-oxide · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11730.680.8638LDA
21700.460.7525ACT

Compared structures

  • 3C1I · Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E.… · the same entry in another collection · chain A against A, TM-score 1.00
  • P69681 · AlphaFold monomer V2.0 prediction for ammonia channel (P69681) · a predicted model of the same protein · chain A against A, TM-score 0.99

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