Research workbench
Crystal structure of EIS1 from mycobacterium abscessus
Analyse Crystal structure of EIS1 from mycobacterium abscessus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6YCA
- Type
- protein
- Length
- 2,326 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized N-acetyltransferase D2E76_00625
- EC
- 2.3.1.-
- UniProt
- A0A418LDP6
- Ligands
- ACO, SO4
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 5 distinct chains · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized N-acetyltransferase D2E76_00625 (EC 2.3.1.-) | protein | 390 | 31% helix, 31% strand | A0A418LDP6 |
| B | Uncharacterized N-acetyltransferase D2E76_00625 (EC 2.3.1.-) | protein | 389 | 30% helix, 31% strand | A0A418LDP6 |
| C, E | Uncharacterized N-acetyltransferase D2E76_00625 (EC 2.3.1.-) | protein | 388 | 29% helix, 32% strand | A0A418LDP6 |
| D | Uncharacterized N-acetyltransferase D2E76_00625 (EC 2.3.1.-) | protein | 385 | 29% helix, 31% strand | A0A418LDP6 |
| F | Uncharacterized N-acetyltransferase D2E76_00625 (EC 2.3.1.-) | protein | 386 | 30% helix, 30% strand | A0A418LDP6 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 6 copies · chains A, F, B, C, D, E
- SO4 · Sulfate ion · ion · 23 copies · chains A, D, E, B, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 906 | 0.88 | 0.90 | 130 | SO4 |
| 2 | 1107 | 0.87 | 0.89 | 146 | SO4 |
| 3 | 1003 | 0.87 | 0.88 | 127 | empty |
| 4 | 650 | 0.82 | 0.86 | 83 | ACO |
| 5 | 860 | 0.81 | 0.83 | 97 | ACO |
Interfaces
12 interfaces between chains.
- B–E · 2117 Ų buried · 32 hydrogen bonds · protein-protein
- C–F · 2044 Ų buried · 34 hydrogen bonds · protein-protein
- A–D · 2016 Ų buried · 37 hydrogen bonds · protein-protein
- A–F · 870 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 831 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6YCA · Crystal structure of Eis1 from Mycobacterium abscessus · 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 A0A418LDP6
- Elsewhere: RCSB PDB 6YCA · PDBe 6YCA · UniProt A0A418LDP6
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