MolNFT v1 · #40131 · protein
Crystal structure of the protein of unknown function from pseudomonas aeruginosa
2IGS · Hypothetical protein: “Crystal structure of the protein of unknown function from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.80). MolNFT v1 #40131 on GenesisL1: 3D structure, binding…
- PDB
- 2IGS
- Type
- protein
- Length
- 1,711 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q9I1P7
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 5 distinct chains · 63% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G, H | Hypothetical protein | protein | 214 | 63% helix, 5% strand | Q9I1P7 |
| B | Hypothetical protein | protein | 214 | 64% helix, 4% strand | Q9I1P7 |
| C, D | Hypothetical protein | protein | 213 | 62% helix, 4% strand | Q9I1P7 |
| E | Hypothetical protein | protein | 214 | 64% helix, 4% strand | Q9I1P7 |
| F | Hypothetical protein | protein | 215 | 62% helix, 4% strand | Q9I1P7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, D, F, G, H
- ACY · Acetic acid · additive · 8 copies · chains A, B, F, C, D, G, H
- GOL · Glycerol · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 501 | 0.80 | 0.87 | 61 | empty |
| 2 | 460 | 0.79 | 0.86 | 63 | SO4, ACY |
| 3 | 483 | 0.73 | 0.82 | 52 | ACY |
| 4 | 387 | 0.71 | 0.82 | 41 | empty |
| 5 | 257 | 0.60 | 0.79 | 35 | empty |
Interfaces
14 interfaces between chains.
- D–E · 805 Ų buried · 5 hydrogen bonds · protein-protein
- C–G · 677 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 643 Ų buried · 11 hydrogen bonds · protein-protein
- C–H · 597 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 500 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified, 8 disulfide (engineered, disulfide).
Compared structures
- 2IGS · Crystal Structure of the Protein of Unknown Function 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 Q9I1P7
- Elsewhere: RCSB PDB 2IGS · PDBe 2IGS · UniProt Q9I1P7
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