Research workbench
Structure of a putative transcription factor (PA1374)FROM pseudomonas aeruginosa
Analyse Structure of a putative transcription factor (PA1374)FROM pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GCV
- Type
- protein
- Length
- 1,717 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcription protein
- UniProt
- Q9I3X0
- Ligands
- NA, PO4
- Pockets
- 20 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcription protein | protein | 145 | 48% helix, 23% strand | Q9I3X0 |
| B, F, H, K | Putative transcription protein | protein | 146 | 46% helix, 26% strand | Q9I3X0 |
| C, D, G, I, J, L | Putative transcription protein | protein | 141 | 49% helix, 22% strand | Q9I3X0 |
| E | Putative transcription protein | protein | 142 | 46% helix, 22% strand | Q9I3X0 |
Ligands and binding sites
- NA · Sodium ion · metal · 11 copies · chains A, B, D, E, F, G, H, I, J, K, L
- PO4 · Phosphate ion · ion · 4 copies · chains B, C, D, F, K
- GOL · Glycerol · additive · 12 copies · chains A, B, C, D, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 148 | 0.56 | 0.82 | 25 | empty |
| 2 | 164 | 0.55 | 0.81 | 27 | empty |
| 3 | 122 | 0.54 | 0.82 | 26 | empty |
| 4 | 164 | 0.54 | 0.80 | 27 | empty |
| 5 | 165 | 0.54 | 0.80 | 28 | empty |
Interfaces
8 interfaces between chains.
- C–D · 3624 Ų buried · 71 hydrogen bonds · protein-protein
- E–F · 3621 Ų buried · 76 hydrogen bonds · protein-protein
- G–H · 3606 Ų buried · 64 hydrogen bonds · protein-protein
- K–L · 3606 Ų buried · 64 hydrogen bonds · protein-protein
- I–J · 3586 Ų buried · 70 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 60 modified (engineered).
Compared structures
- 4GCV · Structure of a Putative transcription factor (PA1374)from Pseudomonas aeruginosa · 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 Q9I3X0
- Elsewhere: RCSB PDB 4GCV · PDBe 4GCV · UniProt Q9I3X0
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