MolNFT v1 · #128144 · protein
The crystal structure of xanthomonas albilineans N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (fold)
5NHS · Bifunctional protein fold: “The crystal structure of xanthomonas albilineans N5, N10- methylenetetrahydrofolate…”. X-ray diffraction, 8 pockets (best druggability 0.75). MolNFT v1 #128144 on GenesisL1: 3D structure, binding sites…
- PDB
- 5NHS
- Type
- protein
- Length
- 561 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein fold
- EC
- 3.5.4.9, 1.5.1.5
- UniProt
- D2UAL4
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein fold (EC 3.5.4.9, 1.5.1.5) | protein | 281 | 42% helix, 19% strand | D2UAL4 |
| B | Bifunctional protein fold (EC 3.5.4.9, 1.5.1.5) | protein | 280 | 42% helix, 19% strand | D2UAL4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.75 | 0.78 | 143 | empty |
| 2 | 98 | 0.41 | 0.78 | 21 | empty |
| 3 | 59 | 0.38 | 0.80 | 16 | empty |
| 4 | 58 | 0.33 | 0.76 | 12 | empty |
| 5 | 59 | 0.32 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1460 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 5NHS · The crystal structure of Xanthomonas albilineans N5, N10-methylenetetrahydrofolate… · 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 D2UAL4
- Elsewhere: RCSB PDB 5NHS · PDBe 5NHS · UniProt D2UAL4
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