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MolNFT v1 · #143863 · protein

Cryo X-ray structure of sisomicin bound aac-via

6BC3 · Aac 3-VI protein: “Cryo X-ray structure of sisomicin bound aac-via”. X-ray diffraction, 2 ligands (COA, SIS), 1 pocket (best druggability 0.53). MolNFT v1 #143863 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6BC3
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aac 3-VI protein
UniProt
Q47030
Ligands
COA, SIS
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAac 3-VI proteinprotein26836% helix, 22% strandQ47030

Ligands and binding sites

  • COA · Coenzyme A · ligand · chains A
  • SIS · (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.530.7736SIS

Compared structures

  • 6BC3 · Cryo X-ray structure of sisomicin bound AAC-VIa · the same entry in another collection · chain A against A, TM-score 1.00

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