Research workbench
Crystal structure of conserved hypothetical protein batb from bacteroides thetaiotaomicron
Analyse Crystal structure of conserved hypothetical protein batb from bacteroides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IBS
- Type
- protein
- Length
- 411 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein batb
- UniProt
- Q8A9A9
- Ligands
- MG, CL
- Pockets
- 4 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Conserved hypothetical protein batb | protein | 206 | 35% helix, 25% strand | Q8A9A9 |
| B | Conserved hypothetical protein batb | protein | 205 | 36% helix, 26% strand | Q8A9A9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 9 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.43 | 0.76 | 24 | empty |
| 2 | 81 | 0.34 | 0.75 | 15 | CL, MG |
| 3 | 78 | 0.34 | 0.75 | 15 | MG |
| 4 | 74 | 0.29 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 532 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3IBS · Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron · 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 Q8A9A9
- Elsewhere: RCSB PDB 3IBS · PDBe 3IBS · UniProt Q8A9A9
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