MolNFT v1 · #62486 · protein
Crystal structure of human thymidyalte synthase A191K with loop 181- 197 stabilized in the inactive conformation
3EGY · Thymidylate synthase: “Crystal structure of human thymidyalte synthase A191K with loop 181- 197 stabilized in the inactive…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.45). MolNFT v1 #62486 on GenesisL1: 3D…
- PDB
- 3EGY
- Type
- protein
- Length
- 234 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thymidylate synthase
- EC
- 2.1.1.45
- UniProt
- P04818
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Thymidylate synthase (EC 2.1.1.45) | protein | 234 | 36% helix, 28% strand | P04818 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.45 | 0.75 | 26 | SO4 |
| 2 | 85 | 0.31 | 0.72 | 15 | empty |
Modifications
Observed in the structure: 4 modified (artifact).
Compared structures
- 3EGY · Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the… · the same entry in another collection · chain X against X, 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 P04818
- Elsewhere: RCSB PDB 3EGY · PDBe 3EGY · UniProt P04818
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