MolNFT v1 · #27162 · protein
X-ray structure northeast structural genomics consortium target CAR10 from C. acetobutylicum
1XBF · Clostridium acetobutylicum Q97KL0: “X-ray structure northeast structural genomics consortium target CAR10 from C. acetobutylicum”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.75). MolNFT v1 #27162 on GenesisL1…
- PDB
- 1XBF
- Type
- protein
- Length
- 382 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Clostridium acetobutylicum Q97KL0
- UniProt
- Q97KL0
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Clostridium acetobutylicum Q97KL0 | protein | 131 | 26% helix, 38% strand | Q97KL0 |
| B | Clostridium acetobutylicum Q97KL0 | protein | 130 | 27% helix, 37% strand | Q97KL0 |
| C | Clostridium acetobutylicum Q97KL0 | protein | 121 | 29% helix, 38% strand | Q97KL0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.75 | 0.98 | 23 | empty |
| 2 | 56 | 0.30 | 0.76 | 15 | SO4 |
Interfaces
3 interfaces between chains.
- A–C · 1302 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1261 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1066 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 1XBF · X-ray structure northeast structural genomics consortium target CAR10 from C.… · 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 Q97KL0
- Elsewhere: RCSB PDB 1XBF · PDBe 1XBF · UniProt Q97KL0
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