Research workbench
Mycobacterium tuberculosis fatty acyl CoA synthetase
Analyse Mycobacterium tuberculosis fatty acyl CoA synthetase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3R44
- Type
- protein
- Length
- 502 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acyl CoA synthetase FADD13 (fatty-acyl-CoA synthetase)
- EC
- 6.2.1.-
- UniProt
- O53306
- Ligands
- HIS
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acyl CoA synthetase FADD13 (fatty-acyl-CoA synthetase) (EC 6.2.1.-) | protein | 502 | 38% helix, 27% strand | O53306 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1037 | 0.74 | 0.77 | 101 | empty |
| 2 | 138 | 0.41 | 0.75 | 21 | empty |
| 3 | 90 | 0.39 | 0.77 | 22 | empty |
| 4 | 61 | 0.30 | 0.75 | 18 | empty |
Compared structures
- 3R44 · Mycobacterium tuberculosis fatty acyl CoA synthetase · 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 O53306
- Elsewhere: RCSB PDB 3R44 · PDBe 3R44 · UniProt O53306
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