MolNFT v1 · #122628 · protein
Crystal structure of eis from mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and coenzyme a
5IV0 · Enhanced intracellular survival protein: “Crystal structure of eis from mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and…”. X-ray diffraction, 3 ligands (COA, 6E9, CL), 2 pockets (best druggability 0.78).…
- PDB
- 5IV0
- 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
- P9WFK6
- Ligands
- COA, 6E9, CL
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enhanced intracellular survival protein | protein | 396 | 32% helix, 31% strand | P9WFK6 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- 6E9 · N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide · ligand · chains A
- CL · Chloride ion · ion · 3 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 | 980 | 0.78 | 0.80 | 89 | COA, 6E9, CL |
| 2 | 63 | 0.32 | 0.76 | 13 | empty |
Compared structures
- 5IV0 · Crystal structure of Eis from Mycobacterium tuberculosis in complex with sulfonamide… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WFK6 · AlphaFold monomer V2.0 prediction for N-acetyltransferase eis (P9WFK6) · 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 P9WFK6
- Elsewhere: RCSB PDB 5IV0 · PDBe 5IV0 · UniProt P9WFK6
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