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Crystal structure of a susd homolog (BT2259) from bacteroides thetaiotaomicron vpi-5482 at 2.50 a resolution
Analyse Crystal structure of a susd homolog (BT2259) from bacteroides thetaiotaomicron… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Q69
- Type
- protein
- Length
- 909 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative lipoprotein
- UniProt
- Q8A5I0
- Ligands
- NA, CL
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative lipoprotein | protein | 456 | 51% helix, 4% strand | Q8A5I0 |
| B | Putative lipoprotein | protein | 453 | 51% helix, 4% strand | Q8A5I0 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 415 | 0.76 | 0.86 | 48 | empty |
| 2 | 53 | 0.72 | 0.99 | 19 | empty |
| 3 | 52 | 0.72 | 0.99 | 19 | empty |
| 4 | 131 | 0.58 | 0.84 | 24 | empty |
| 5 | 80 | 0.57 | 0.87 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1214 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 4Q69 · Crystal structure of a SusD homolog (BT2259) from Bacteroides thetaiotaomicron VPI-5482… · 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 Q8A5I0
- Elsewhere: RCSB PDB 4Q69 · PDBe 4Q69 · UniProt Q8A5I0
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