Research workbench
Crystal structure of halogenase pltm L111Y mutant in complex with FAD
Analyse Crystal structure of halogenase pltm L111Y mutant in complex with FAD in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BZT
- Type
- protein
- Length
- 2,004 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Halogenase pltm
- EC
- 3.8.1.1
- UniProt
- Q4KCZ3
- Ligands
- FAD, CA, BR, CL
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Halogenase pltm (EC 3.8.1.1) | protein | 501 | 44% helix, 20% strand | Q4KCZ3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 2 copies · chains A, B
- BR · Bromide ion · ion · 9 copies · chains A, B, C, D
- CL · Chloride ion · ion · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.82 | 0.83 | 144 | FAD, CL |
| 2 | 120 | 0.79 | 0.97 | 31 | empty |
| 3 | 618 | 0.76 | 0.82 | 67 | FAD, CL |
| 4 | 442 | 0.76 | 0.84 | 62 | FAD, CL |
| 5 | 71 | 0.73 | 0.98 | 24 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1320 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 1303 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 514 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6BZT · Crystal structure of halogenase PltM L111Y mutant in complex with FAD · 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 Q4KCZ3
- Elsewhere: RCSB PDB 6BZT · PDBe 6BZT · UniProt Q4KCZ3
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