Research workbench
1.1 ångström crystal structure of putative modulator of drug activity (mdab) from yersinia pestis CO92.
Analyse 1.1 ångström crystal structure of putative modulator of drug activity (mdab)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RPE
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Modulator of drug activity B
- UniProt
- Q7CGH8
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Modulator of drug activity B | protein | 196 | 38% helix, 18% strand | Q7CGH8 |
| B | Modulator of drug activity B | protein | 195 | 38% helix, 18% strand | Q7CGH8 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.73 | 0.99 | 24 | empty |
| 2 | 360 | 0.71 | 0.83 | 36 | FAD |
| 3 | 292 | 0.69 | 0.83 | 44 | FAD |
Interfaces
1 interface between chains.
- A–B · 2206 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 3RPE · 1.1 Angstrom Crystal Structure of Putative Modulator of Drug Activity (MdaB) from… · 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 Q7CGH8
- Elsewhere: RCSB PDB 3RPE · PDBe 3RPE · UniProt Q7CGH8
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