MolNFT v1 · #125134 · protein
Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2- azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2- TRIS(FLUORANYL)ETHOXY]PYRIMIDIN-4-yl]-2,8-DIAZASPIRO[4.5]DECANE-3- carboxylic acid
5L01 · Tryptophan 5-hydroxylase 1: “Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2…”. X-ray diffraction, 2 ligands (6Z4, FE), 2 pockets (best druggability 0.76). MolNFT v1 #125134 on GenesisL1: 3D structure, binding sites…
- PDB
- 5L01
- Type
- protein
- Length
- 283 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 5-hydroxylase 1
- EC
- 1.14.16.4
- UniProt
- P17752
- Ligands
- 6Z4, FE
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 5-hydroxylase 1 (EC 1.14.16.4) | protein | 283 | 52% helix, 10% strand | P17752 |
Ligands and binding sites
- 6Z4 · (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid · ligand · chains A
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 402 | 0.76 | 0.85 | 44 | 6Z4 |
| 2 | 68 | 0.41 | 0.80 | 15 | empty |
Compared structures
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 P17752
- Elsewhere: RCSB PDB 5L01 · PDBe 5L01 · UniProt P17752
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