MolNFT v1 · #95507 · protein
Crystal structure of apo mtb FADD10
4ISB · Long chain fatty acid CoA ligase FADD10: “Crystal structure of apo mtb FADD10”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.77). MolNFT v1 #95507 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ISB
- Type
- protein
- Length
- 1,011 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Long chain fatty acid CoA ligase FADD10
- EC
- 2.3.1.86
- UniProt
- I6WXG2
- Ligands
- SO4
- Pockets
- 13 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Long chain fatty acid CoA ligase FADD10 (EC 2.3.1.86) | protein | 508 | 33% helix, 26% strand | I6WXG2 |
| B | Long chain fatty acid CoA ligase FADD10 (EC 2.3.1.86) | protein | 503 | 31% helix, 27% strand | I6WXG2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.77 | 0.79 | 82 | empty |
| 2 | 166 | 0.64 | 0.85 | 41 | empty |
| 3 | 208 | 0.61 | 0.82 | 39 | empty |
| 4 | 55 | 0.58 | 0.91 | 19 | empty |
| 5 | 130 | 0.46 | 0.77 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1663 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 4ISB · Crystal Structure of Apo Mtb FadD10 · 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 I6WXG2
- Elsewhere: RCSB PDB 4ISB · PDBe 4ISB · UniProt I6WXG2
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