Research workbench
Crystal structure of PA1844 in complex with PA1845 from pseudomonas aeruginosa PAO1
Analyse Crystal structure of PA1844 in complex with PA1845 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
- 4EQA
- Type
- protein
- Length
- 592 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- Q9I2Q1, Q9I2Q0
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative uncharacterized protein | protein | 146 | 37% helix, 21% strand | Q9I2Q1 |
| C, D | Putative uncharacterized protein | protein | 150 | 5% helix, 52% strand | Q9I2Q0 |
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 | 1166 | 0.82 | 0.83 | 115 | empty |
| 2 | 236 | 0.57 | 0.79 | 27 | empty |
| 3 | 243 | 0.54 | 0.77 | 28 | empty |
| 4 | 62 | 0.49 | 0.85 | 20 | empty |
| 5 | 135 | 0.46 | 0.77 | 25 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1071 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 968 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 350 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 306 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 301 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4EQA · Crystal structure of PA1844 in complex with PA1845 from Pseudomonas aeruginosa PAO1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I2Q0 · AlphaFold monomer V2.0 prediction for immune protein TSI1 (Q9I2Q0) · a predicted model of the same protein · chain C against A, TM-score 0.98
- Q9I2Q1 · AlphaFold monomer V2.0 prediction for peptidoglycan amidase TSE1 (Q9I2Q1) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9I2Q1
- Every structure of UniProt Q9I2Q0
- Elsewhere: RCSB PDB 4EQA · PDBe 4EQA · UniProt Q9I2Q1 · UniProt Q9I2Q0
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