MolNFT v1 · #143050 · protein
Crystal structure of a putative uncharacterized protein from burkholderia cenocepacia
6ANS: “Crystal structure of a putative uncharacterized protein from burkholderia cenocepacia”. X-ray diffraction, 2 ligands (NA, PO4), 18 pockets (best druggability 0.82). MolNFT v1 #143050 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6ANS
- Type
- protein
- Length
- 1,457 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- B4EDY7
- Ligands
- NA, PO4
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 368 | 27% helix, 30% strand | B4EDY7 |
| B | Uncharacterized protein | protein | 369 | 27% helix, 30% strand | B4EDY7 |
| C, D | Uncharacterized protein | protein | 360 | 25% helix, 30% strand | B4EDY7 |
Ligands and binding sites
- NA · Sodium ion · metal · 6 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.82 | 0.98 | 34 | PO4, NA, GOL, EDO |
| 2 | 141 | 0.82 | 0.98 | 33 | PO4, NA, GOL, EDO |
| 3 | 147 | 0.81 | 0.97 | 33 | PO4, NA, GOL, EDO |
| 4 | 151 | 0.81 | 0.97 | 35 | PO4, NA, GOL, EDO |
| 5 | 327 | 0.69 | 0.83 | 44 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1941 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 1936 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 666 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 156 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 154 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 25 modified (engineered).
Compared structures
- 6ANS · Crystal structure of a putative uncharacterized protein from Burkholderia cenocepacia · 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 B4EDY7
- Elsewhere: RCSB PDB 6ANS · PDBe 6ANS · UniProt B4EDY7
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