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A 1.68-a resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase
Analyse A 1.68-a resolution 3-fluoro-L-tyrosine bound crystal structure of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KQS
- Type
- protein
- Length
- 601 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme-dependent L-tyrosine hydroxylase
- Ligands
- HEM, YOF
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme-dependent L-tyrosine hydroxylase | protein | 300 | 60% helix, 2% strand | — |
| B | Heme-dependent L-tyrosine hydroxylase | protein | 301 | 61% helix, 2% strand | — |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- YOF · 3-fluorotyrosine · ligand · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 407 | 0.75 | 0.85 | 36 | HEM, YOF |
| 2 | 405 | 0.75 | 0.85 | 38 | HEM, YOF |
| 3 | 192 | 0.69 | 0.87 | 24 | BTB |
| 4 | 285 | 0.56 | 0.77 | 36 | empty |
| 5 | 177 | 0.47 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1567 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 7KQS · A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent… · 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
- Elsewhere: RCSB PDB 7KQS · PDBe 7KQS
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