MolNFT v1 · #90673 · protein
Crystal structure of PA1844 in complex with PA1845 from pseudomonas aeruginosa PAO1
4EQA · Putative uncharacterized protein: “Crystal structure of PA1844 in complex with PA1845 from pseudomonas aeruginosa PAO1”. X-ray diffraction, 7 pockets (best druggability 0.82). MolNFT v1 #90673 on GenesisL1: 3D structure, binding…
- 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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