Research workbench
Crystal structure of an apo form of a flavin-binding protein from shigella flexneri
Analyse Crystal structure of an apo form of a flavin-binding protein from shigella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FZV
- Type
- protein
- Length
- 954 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative arsenical resistance protein
- Ligands
- CA, CL
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative arsenical resistance protein | protein | 235 | 37% helix, 17% strand | — |
| B | Putative arsenical resistance protein | protein | 247 | 37% helix, 15% strand | — |
| C | Putative arsenical resistance protein | protein | 236 | 36% helix, 14% strand | — |
| D | Putative arsenical resistance protein | protein | 236 | 36% helix, 15% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1048 | 0.83 | 0.84 | 99 | empty |
| 2 | 304 | 0.65 | 0.81 | 40 | empty |
| 3 | 268 | 0.62 | 0.80 | 36 | empty |
| 4 | 55 | 0.49 | 0.86 | 16 | empty |
| 5 | 98 | 0.40 | 0.76 | 21 | empty |
Interfaces
6 interfaces between chains.
- B–D · 2368 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 2094 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 1156 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 447 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 168 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2FZV · Crystal Structure of an apo form of a Flavin-binding Protein from Shigella flexneri · 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
- Elsewhere: RCSB PDB 2FZV · PDBe 2FZV
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