MolNFT v1 · #102375 · protein
Crystal structure of a leucine-rich repeat protein (BACCAP_00569) from bacteroides capillosus atcc 29799 at 2.00 a resolution
4OJU · Hypothetical leucine rich repeat protein: “Crystal structure of a leucine-rich repeat protein (BACCAP_00569) from bacteroides capillosus atcc 29799 at…”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.78). MolNFT v1…
- PDB
- 4OJU
- Type
- protein
- Length
- 565 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical leucine rich repeat protein
- UniProt
- A6NQU6
- Ligands
- MG
- Pockets
- 1 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hypothetical leucine rich repeat protein | protein | 143 | 2% helix, 37% strand | A6NQU6 |
| B | Hypothetical leucine rich repeat protein | protein | 141 | 4% helix, 38% strand | A6NQU6 |
| D | Hypothetical leucine rich repeat protein | protein | 138 | 4% helix, 36% strand | A6NQU6 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, D, B, C
- EDO · 1,2-ethanediol · additive · 13 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 362 | 0.78 | 0.88 | 45 | empty |
Interfaces
6 interfaces between chains.
- C–D · 752 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 729 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 535 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 521 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 111 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 4OJU · Crystal structure of a leucine-rich repeat protein (BACCAP_00569) from Bacteroides… · 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 A6NQU6
- Elsewhere: RCSB PDB 4OJU · PDBe 4OJU · UniProt A6NQU6
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