MolNFT v1 · #180154 · protein
A 1.89-a resolution substrate-bound crystal structure of heme- dependent tyrosine hydroxylase from S. sclerotialus
7KQR · Heme-dependent L-tyrosine hydroxylase: “A 1.89-a resolution substrate-bound crystal structure of heme- dependent tyrosine hydroxylase from S.…”. X-ray diffraction, 2 ligands (HEM, TYR), 8 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 7KQR
- Type
- protein
- Length
- 604 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme-dependent L-tyrosine hydroxylase
- Ligands
- HEM, TYR
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme-dependent L-tyrosine hydroxylase | protein | 303 | 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
- TYR · Tyrosine · ligand · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- 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 | 394 | 0.76 | 0.85 | 38 | HEM, TYR |
| 2 | 398 | 0.75 | 0.85 | 37 | HEM, TYR |
| 3 | 181 | 0.70 | 0.87 | 24 | BTB |
| 4 | 325 | 0.60 | 0.78 | 48 | TRS |
| 5 | 176 | 0.49 | 0.77 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1525 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 7KQR · A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine… · 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 7KQR · PDBe 7KQR
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