Research workbench
Structure of the sbp fpvc from pseudomonas aeruginosa in complex with MN2+
Analyse Structure of the sbp fpvc from pseudomonas aeruginosa in complex with MN2+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RU4
- Type
- protein
- Length
- 1,077 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable adhesion protein
- UniProt
- Q9I174
- Ligands
- MN
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable adhesion protein | protein | 276 | 43% helix, 12% strand | Q9I174 |
| B | Probable adhesion protein | protein | 267 | 45% helix, 12% strand | Q9I174 |
| C | Probable adhesion protein | protein | 268 | 44% helix, 13% strand | Q9I174 |
| D | Probable adhesion protein | protein | 266 | 45% helix, 13% strand | Q9I174 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 28 copies · chains A, C, B, D
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, D
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.79 | 0.81 | 132 | MN |
| 2 | 148 | 0.46 | 0.76 | 26 | empty |
| 3 | 93 | 0.45 | 0.80 | 19 | MN |
| 4 | 82 | 0.44 | 0.80 | 16 | MN |
| 5 | 140 | 0.43 | 0.75 | 27 | empty |
Interfaces
5 interfaces between chains.
- A–C · 797 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 565 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 161 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 42 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 33 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6RU4 · Structure of the SBP FpvC from pseudomonas aeruginosa in complex with Mn2+ · 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 Q9I174
- Elsewhere: RCSB PDB 6RU4 · PDBe 6RU4 · UniProt Q9I174
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