MolNFT v1 · #121339 · protein
Crystal structure of tyrosine decarboxylase at 1.73 ångströms resolution
5HSI · Putative decarboxylase: “Crystal structure of tyrosine decarboxylase at 1.73 ångströms resolution”. X-ray diffraction, 1 ligand (MG), 17 pockets (best druggability 0.80). MolNFT v1 #121339 on GenesisL1: 3D structure, binding sites…
- PDB
- 5HSI
- Type
- protein
- Length
- 1,199 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative decarboxylase
- EC
- 4.1.1.25
- UniProt
- J7GQ11
- Ligands
- MG
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative decarboxylase (EC 4.1.1.25) | protein | 602 | 52% helix, 13% strand | J7GQ11 |
| B | Putative decarboxylase (EC 4.1.1.25) | protein | 597 | 51% helix, 14% strand | J7GQ11 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.80 | 0.98 | 39 | empty |
| 2 | 122 | 0.79 | 0.98 | 38 | empty |
| 3 | 881 | 0.77 | 0.80 | 75 | empty |
| 4 | 831 | 0.76 | 0.80 | 74 | empty |
| 5 | 85 | 0.75 | 0.98 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 6882 Ų buried · 99 hydrogen bonds · protein-protein
Compared structures
- 5HSI · Crystal structure of tyrosine decarboxylase at 1.73 Angstroms resolution · the same entry in another collection · chain A against A, TM-score 1.00
- J7GQ11 · AlphaFold monomer V2.0 prediction for L-tyrosine decarboxylase (J7GQ11) · 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 J7GQ11
- Elsewhere: RCSB PDB 5HSI · PDBe 5HSI · UniProt J7GQ11
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