MolNFT v1 · #117561 · protein
Crystal structure of acetyltransferase eis from mycobacterium tuberculosis in complex with inhibitor 11C and CoA
5EBV · Enhanced intracellular survival protein: “Crystal structure of acetyltransferase eis from mycobacterium tuberculosis in complex with inhibitor 11C and…”. X-ray diffraction, 3 ligands (COA, 5LR, CL), 2 pockets (best druggability…
- PDB
- 5EBV
- Type
- protein
- Length
- 396 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enhanced intracellular survival protein
- UniProt
- P9WFK7
- Ligands
- COA, 5LR, CL
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enhanced intracellular survival protein | protein | 396 | 30% helix, 31% strand | P9WFK7 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- 5LR · 5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine · ligand · chains A
- CL · Chloride ion · ion · 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 | 1004 | 0.78 | 0.79 | 96 | COA, 5LR, CL |
| 2 | 59 | 0.32 | 0.76 | 15 | empty |
Compared structures
- 5EBV · Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex… · 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 5EBV · PDBe 5EBV · UniProt P9WFK7
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