MolNFT v1 · #50952 · protein
Tyrosine phenol-lyase from citrobacter intermedius complex with 3-(4'- HYDROXYPHENYL)PROPIONIC acid, pyridoxal-5'-phosphate and cs+ ion
2TPL: “Tyrosine phenol-lyase from citrobacter intermedius complex with 3-(4'- HYDROXYPHENYL)PROPIONIC acid…”. X-ray diffraction, 2 ligands (HPP, CS), 9 pockets (best druggability 0.73). MolNFT v1 #50952 on GenesisL1: 3D structure, binding…
- PDB
- 2TPL
- Type
- protein
- Length
- 910 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine phenol-lyase
- EC
- 4.1.99.2
- UniProt
- P31013
- Ligands
- HPP, CS
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tyrosine phenol-lyase (EC 4.1.99.2) | protein | 455 | 45% helix, 15% strand | P31013 |
Ligands and binding sites
- HPP · Hydroxyphenyl propionic acid · ligand · chains A, B
- CS · Cesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.73 | 0.81 | 55 | HPP |
| 2 | 557 | 0.73 | 0.81 | 54 | empty |
| 3 | 498 | 0.70 | 0.80 | 45 | empty |
| 4 | 520 | 0.70 | 0.79 | 47 | empty |
| 5 | 145 | 0.51 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2455 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
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 P31013
- Elsewhere: RCSB PDB 2TPL · PDBe 2TPL · UniProt P31013
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