MolNFT v1 · #128837 · protein
Native apo-structure of pseudomonas stutzeri ptxb to 2.1 a resolution
5O2K · Probable phosphite transport system-binding protein ptxb: “Native apo-structure of pseudomonas stutzeri ptxb to 2.1 a resolution”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #128837 on GenesisL1: 3D structure…
- PDB
- 5O2K
- Type
- protein
- Length
- 1,560 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable phosphite transport system-binding protein ptxb
- UniProt
- O69052
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 5 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, C | Probable phosphite transport system-binding protein ptxb | protein | 259 | 42% helix, 24% strand | O69052 |
| A | Probable phosphite transport system-binding protein ptxb | protein | 266 | 40% helix, 24% strand | O69052 |
| B | Probable phosphite transport system-binding protein ptxb | protein | 262 | 41% helix, 24% strand | O69052 |
| E | Probable phosphite transport system-binding protein ptxb | protein | 258 | 42% helix, 24% strand | O69052 |
| F | Probable phosphite transport system-binding protein ptxb | protein | 256 | 42% helix, 23% strand | O69052 |
Pockets
20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 886 | 0.76 | 0.80 | 88 | empty |
| 2 | 773 | 0.76 | 0.81 | 84 | empty |
| 3 | 371 | 0.59 | 0.76 | 39 | empty |
| 4 | 262 | 0.53 | 0.75 | 42 | empty |
| 5 | 163 | 0.50 | 0.78 | 23 | empty |
Interfaces
7 interfaces between chains.
- B–E · 780 Ų buried · 13 hydrogen bonds · protein-protein
- D–C · 765 Ų buried · 9 hydrogen bonds · protein-protein
- D–A · 707 Ų buried · 11 hydrogen bonds · protein-protein
- D–E · 650 Ų buried · 3 hydrogen bonds · protein-protein
- B–F · 645 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5O2K · Native apo-structure of Pseudomonas stutzeri PtxB to 2.1 A resolution · the same entry in another collection · chain F against F, TM-score 1.00
- O69052 · AlphaFold monomer V2.0 prediction for probable phosphite transport system-binding protein… · a predicted model of the same protein · chain B against A, TM-score 0.62
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 O69052
- Elsewhere: RCSB PDB 5O2K · PDBe 5O2K · UniProt O69052
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