Research workbench
Crystal structure of mibh, a lathipeptide tryptophan 5-halogenase
Analyse Crystal structure of mibh, a lathipeptide tryptophan 5-halogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UAO
- Type
- protein
- Length
- 2,063 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophane-5-halogenase
- UniProt
- W2EQU4
- Ligands
- FAD, CL
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophane-5-halogenase | protein | 519 | 41% helix, 22% strand | W2EQU4 |
| B | Tryptophane-5-halogenase | protein | 516 | 40% helix, 21% strand | W2EQU4 |
| C, D | Tryptophane-5-halogenase | protein | 514 | 40% helix, 22% strand | W2EQU4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, D
- CL · Chloride ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1084 | 0.83 | 0.84 | 118 | empty |
| 2 | 427 | 0.82 | 0.90 | 61 | FAD, CL |
| 3 | 434 | 0.82 | 0.89 | 69 | FAD, CL |
| 4 | 382 | 0.81 | 0.90 | 58 | empty |
| 5 | 371 | 0.81 | 0.90 | 58 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1287 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 1177 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 504 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 497 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5UAO · Crystal structure of MibH, a lathipeptide tryptophan 5-halogenase · 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 W2EQU4
- Elsewhere: RCSB PDB 5UAO · PDBe 5UAO · UniProt W2EQU4
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