MolNFT v1 · #159386 · protein
Crystal structure of SEL1 repeat protein from oxalobacter formigenes
6ONW: “Crystal structure of SEL1 repeat protein from oxalobacter formigenes”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #159386 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ONW
- Type
- protein
- Length
- 689 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SEL1 repeat protein
- EC
- 3.5.2.6
- UniProt
- C3X8T5
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SEL1 repeat protein (EC 3.5.2.6) | protein | 343 | 68% helix, 0% strand | C3X8T5 |
| B | SEL1 repeat protein (EC 3.5.2.6) | protein | 346 | 68% helix, 0% strand | C3X8T5 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 969 | 0.77 | 0.79 | 93 | empty |
| 2 | 173 | 0.50 | 0.77 | 19 | empty |
| 3 | 146 | 0.46 | 0.77 | 19 | empty |
| 4 | 83 | 0.36 | 0.76 | 21 | empty |
| 5 | 78 | 0.32 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1284 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 6ONW · Crystal structure of Sel1 repeat protein from Oxalobacter formigenes · 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 C3X8T5
- Elsewhere: RCSB PDB 6ONW · PDBe 6ONW · UniProt C3X8T5
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