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Crystal structure of bifunctional folylpolyglutamate SYNTHASE/DIHYDROFOLATE synthase from yersinia pestis CO92
Analyse Crystal structure of bifunctional folylpolyglutamate SYNTHASE/DIHYDROFOLATE… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3N2A
- Type
- protein
- Length
- 406 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional folylpolyglutamate SYNTHASE/DIHYDROFOLATE synthase
- EC
- 6.3.2.12, 6.3.2.17
- UniProt
- Q1CHM3
- Ligands
- ADP, MG
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional folylpolyglutamate SYNTHASE/DIHYDROFOLATE synthase (EC 6.3.2.12, 6.3.2.17) | protein | 406 | 40% helix, 18% strand | Q1CHM3 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
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 | 904 | 0.77 | 0.80 | 105 | ADP, MG, EDO, GOL |
| 2 | 63 | 0.38 | 0.79 | 11 | empty |
Compared structures
- 3N2A · Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase from… · the same entry in another collection · chain A against A, 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 Q1CHM3
- Elsewhere: RCSB PDB 3N2A · PDBe 3N2A · UniProt Q1CHM3
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