Research workbench
Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-OXA(DETHIA)-CoA
Analyse Chloramphenicol acetyltransferase type III in complex with chloramphenicol and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6X7Q
- Type
- protein
- Length
- 638 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chloramphenicol acetyltransferase 3
- EC
- 2.3.1.28
- UniProt
- P00484
- Ligands
- UTA, CLM, ZN
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chloramphenicol acetyltransferase 3 (EC 2.3.1.28) | protein | 212 | 32% helix, 32% strand | P00484 |
| B, C | Chloramphenicol acetyltransferase 3 (EC 2.3.1.28) | protein | 213 | 30% helix, 32% strand | P00484 |
Ligands and binding sites
- UTA · acetyl-oxa(dethia)-CoA · ligand · 3 copies · chains A, B, C
- CLM · Chloramphenicol · ligand · 3 copies · chains A, C, B
- ZN · Zinc ion · metal · 2 copies · chains A, C
- PG4 · Tetraethylene glycol · additive · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 566 | 0.79 | 0.84 | 63 | UTA, PG4, CLM |
| 2 | 546 | 0.77 | 0.84 | 66 | CLM, UTA |
| 3 | 563 | 0.77 | 0.83 | 79 | UTA, PEG, CLM |
| 4 | 499 | 0.69 | 0.79 | 55 | empty |
| 5 | 108 | 0.51 | 0.82 | 37 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1175 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1164 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1161 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6X7Q · Chloramphenicol acetyltransferase type III in complex with chloramphenicol and… · the same entry in another collection · chain A against A, TM-score 1.00
- P00484 · AlphaFold monomer V2.0 prediction for chloramphenicol acetyltransferase 3 (P00484) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P00484
- Elsewhere: RCSB PDB 6X7Q · PDBe 6X7Q · UniProt P00484
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