MolNFT v1 · #167770 · protein
Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT379
6VUS · N-acetyltransferase eis: “Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT379”. X-ray diffraction, 1 ligand (RNV), 2 pockets (best druggability 0.78). MolNFT v1 #167770 on GenesisL1: 3D…
- PDB
- 6VUS
- Type
- protein
- Length
- 396 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyltransferase eis
- EC
- 2.3.1.-
- UniProt
- P9WFK7
- Ligands
- RNV
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetyltransferase eis (EC 2.3.1.-) | protein | 396 | 31% helix, 31% strand | P9WFK7 |
Ligands and binding sites
- RNV · 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino) ethyl]acetamide · ligand · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1053 | 0.78 | 0.79 | 94 | RNV, GOL |
| 2 | 57 | 0.32 | 0.76 | 14 | empty |
Compared structures
- 6VUS · Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT379 · 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WFK7
- Elsewhere: RCSB PDB 6VUS · PDBe 6VUS · UniProt P9WFK7
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