MolNFT v1 · #22709 · protein
Expression, characterization, and crystallographic analysis of telluromethionyl dihydrofolate reductase
1TDR: “Expression, characterization, and crystallographic analysis of telluromethionyl dihydrofolate reductase”. X-ray diffraction, 4 ligands (MTX, CA, TE), 2 pockets (best druggability 0.82). MolNFT v1 #22709 on GenesisL1: 3D structure…
- PDB
- 1TDR
- Type
- protein
- Length
- 318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Telluromethionyl dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- P00379
- Ligands
- MTX, CA, TE, CL
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Telluromethionyl dihydrofolate reductase (EC 1.5.1.3) | protein | 159 | 25% helix, 31% strand | P00379 |
Ligands and binding sites
- MTX · Methotrexate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains B
- TE · Tellurium · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
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 | 1138 | 0.82 | 0.83 | 91 | CL, MTX |
| 2 | 86 | 0.34 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 584 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1TDR · Expression, characterization, and crystallographic analysis of telluromethionyl… · the same entry in another collection · chain B against B, 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
- Every structure of UniProt P00379
- Elsewhere: RCSB PDB 1TDR · PDBe 1TDR · UniProt P00379
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.