MolNFT v1 · #5868 · protein
Crystal structure analysis of CYS167 mutant of escherichia COLI with unmodified catalytic cysteine
1EVG · Thymidylate synthase: “Crystal structure analysis of CYS167 mutant of escherichia COLI with unmodified catalytic cysteine”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.70). MolNFT v1 #5868 on GenesisL1: 3D…
- PDB
- 1EVG
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase
- EC
- 2.1.1.45
- UniProt
- P0A884
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thymidylate synthase (EC 2.1.1.45) | protein | 264 | 34% helix, 26% strand | P0A884 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.70 | 0.80 | 41 | SO4 |
| 2 | 56 | 0.31 | 0.76 | 15 | empty |
| 3 | 77 | 0.31 | 0.73 | 15 | empty |
| 4 | 51 | 0.27 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 3 modified (artifact, carboxylation).
Compared structures
- 1EVG · Crystal structure analysis of CYS167 mutant of escherichia COLI with unmodified catalytic… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A884 · AlphaFold monomer V2.0 prediction for thymidylate synthase (P0A884) · a predicted model of the same protein · chain A 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 P0A884
- Elsewhere: RCSB PDB 1EVG · PDBe 1EVG · UniProt P0A884
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