Research workbench
4-chlorobenzoyl-CoA LIGASE/SYNTHETASE, I303G mutation, bound to 3- chlorobenzoate
Analyse 4-chlorobenzoyl-CoA LIGASE/SYNTHETASE, I303G mutation, bound to 3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QVX
- Type
- protein
- Length
- 500 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-chlorobenzoate CoA ligase
- EC
- 6.2.1.33
- Ligands
- 3BZ
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | 4-chlorobenzoate CoA ligase (EC 6.2.1.33) | protein | 500 | 31% helix, 27% strand | — |
Ligands and binding sites
- 3BZ · 3-chlorobenzoate · ligand · chains X
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 | 879 | 0.75 | 0.79 | 79 | 3BZ |
| 2 | 101 | 0.37 | 0.75 | 21 | empty |
| 3 | 50 | 0.35 | 0.79 | 17 | empty |
| 4 | 51 | 0.31 | 0.77 | 17 | empty |
Compared structures
- 2QVX · 4-Chlorobenzoyl-CoA Ligase/Synthetase, I303G mutation, bound to 3-Chlorobenzoate · the same entry in another collection · chain X against X, 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
- Elsewhere: RCSB PDB 2QVX · PDBe 2QVX
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