MolNFT v1 · #108219 · protein
Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain
4V06 · Tryptophan 5-hydroxylase 2: “Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain”. X-ray diffraction, 1 ligand (FE), 6 pockets (best druggability 0.79). MolNFT v1 #108219 on GenesisL1: 3D structure, binding…
- PDB
- 4V06
- Type
- protein
- Length
- 690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 5-hydroxylase 2
- EC
- 1.14.16.4
- UniProt
- Q8IWU9
- Ligands
- FE
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 5-hydroxylase 2 (EC 1.14.16.4) | protein | 349 | 51% helix, 13% strand | Q8IWU9 |
| B | Tryptophan 5-hydroxylase 2 (EC 1.14.16.4) | protein | 341 | 48% helix, 12% strand | Q8IWU9 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 668 | 0.79 | 0.84 | 79 | empty |
| 2 | 572 | 0.78 | 0.84 | 56 | empty |
| 3 | 581 | 0.72 | 0.80 | 57 | IMD |
| 4 | 438 | 0.63 | 0.77 | 46 | IMD, FE |
| 5 | 60 | 0.57 | 0.90 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2294 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4V06 · Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain · the same entry in another collection · chain A against A, TM-score 1.00
- Q8IWU9 · AlphaFold monomer V2.0 prediction for tryptophan 5-hydroxylase 2 (Q8IWU9) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q8IWU9
- Elsewhere: RCSB PDB 4V06 · PDBe 4V06 · UniProt Q8IWU9
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