Research workbench
Crystal structure of halogenase pltm in complex with partially bound FAD
Analyse Crystal structure of halogenase pltm in complex with partially bound FAD in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BZZ
- Type
- protein
- Length
- 1,999 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
- Pockets
- 17 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Halogenase pltm (EC 3.8.1.1) | protein | 500 | 44% helix, 21% strand | Q4KCZ3 |
| D | Halogenase pltm (EC 3.8.1.1) | protein | 499 | 45% helix, 20% strand | Q4KCZ3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1006 | 0.86 | 0.86 | 132 | FAD |
| 2 | 123 | 0.79 | 0.97 | 31 | empty |
| 3 | 121 | 0.79 | 0.97 | 31 | empty |
| 4 | 413 | 0.78 | 0.87 | 64 | FAD |
| 5 | 561 | 0.77 | 0.84 | 68 | FAD |
Interfaces
3 interfaces between chains.
- A–D · 1317 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 1310 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 550 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 6BZZ · Crystal structure of halogenase PltM in complex with partially bound 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 6BZZ · PDBe 6BZZ · UniProt Q4KCZ3
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