Research workbench
Crystal structure of enhanced intracellular survival (eis) protein from mycobacterium tuberculosis with acetyl CoA
Analyse Crystal structure of enhanced intracellular survival (eis) protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RYO
- Type
- protein
- Length
- 4,752 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enhanced intracellular survival protein
- UniProt
- P71727
- Ligands
- ACO
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Enhanced intracellular survival protein | protein | 396 | 29% helix, 31% strand | P71727 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 12 copies · chains A, F, B, D, C, E, G, L, H, J, I, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.89 | 0.91 | 98 | empty |
| 2 | 928 | 0.88 | 0.90 | 109 | empty |
| 3 | 970 | 0.88 | 0.89 | 100 | empty |
| 4 | 964 | 0.88 | 0.89 | 95 | empty |
| 5 | 976 | 0.88 | 0.89 | 90 | empty |
Interfaces
26 interfaces between chains.
- I–J · 2095 Ų buried · 35 hydrogen bonds · protein-protein
- K–L · 2080 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 2053 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 2045 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 2039 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 84 modified (engineered).
Compared structures
- 3RYO · Crystal Structure of Enhanced Intracellular Survival (Eis) Protein from Mycobacterium… · the same entry in another collection · 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 P71727
- Elsewhere: RCSB PDB 3RYO · PDBe 3RYO · UniProt P71727
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