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Crystal structure of putative dihydroneopterin aldolase (folb) from vibrio cholerae O1 biovar el tor str. N16961
Analyse Crystal structure of putative dihydroneopterin aldolase (folb) from vibrio… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O1K
- Type
- protein
- Length
- 470 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroneopterin aldolase folb, putative
- UniProt
- Q9KUJ6
- Pockets
- 7 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Dihydroneopterin aldolase folb, putative | protein | 117 | 35% helix, 36% strand | Q9KUJ6 |
| B, D | Dihydroneopterin aldolase folb, putative | protein | 118 | 34% helix, 36% strand | Q9KUJ6 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.56 | 0.85 | 27 | empty |
| 2 | 259 | 0.50 | 0.74 | 35 | EDO |
| 3 | 115 | 0.47 | 0.79 | 26 | empty |
| 4 | 109 | 0.46 | 0.79 | 26 | empty |
| 5 | 101 | 0.46 | 0.79 | 26 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1224 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 1150 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1134 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 1111 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3O1K · Crystal structure of putative dihydroneopterin aldolase (FolB) from Vibrio cholerae O1… · 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 Q9KUJ6
- Elsewhere: RCSB PDB 3O1K · PDBe 3O1K · UniProt Q9KUJ6
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