GL1X · GenesisL1 explorer

MolNFT v1 · #167772 · protein

Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT1347

6VUU: “Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT1347”. X-ray diffraction, 1 ligand (RNJ). MolNFT v1 #167772 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VUU
Type
protein
Length
396 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P9WFK7
Ligands
RNJ

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein396—P9WFK7

Ligands and binding sites

  • RNJ · (7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7, 8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine · ligand · chains A
  • DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Compared structures

  • 6VUU · Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1347 · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WFK7 · AlphaFold monomer V2.0 prediction for N-acetyltransferase eis (P9WFK7) · a predicted model of the same protein · chain A against A, TM-score 1.00

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