Research workbench
Crystal structure of 5'-methylthioinosine phosphorylase from psedomonas aeruginosa in complex with hypoxanthine
Analyse Crystal structure of 5'-methylthioinosine phosphorylase from psedomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OZB
- Type
- protein
- Length
- 1,432 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylthioadenosine phosphorylase
- EC
- 2.4.2.28
- UniProt
- Q02PG8
- Ligands
- HPA, SO4
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 5 distinct chains · 27% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methylthioadenosine phosphorylase (EC 2.4.2.28) | protein | 241 | 27% helix, 23% strand | Q02PG8 |
| B | Methylthioadenosine phosphorylase (EC 2.4.2.28) | protein | 238 | 28% helix, 24% strand | Q02PG8 |
| C | Methylthioadenosine phosphorylase (EC 2.4.2.28) | protein | 239 | 26% helix, 23% strand | Q02PG8 |
| D, F | Methylthioadenosine phosphorylase (EC 2.4.2.28) | protein | 239 | 27% helix, 24% strand | Q02PG8 |
| E | Methylthioadenosine phosphorylase (EC 2.4.2.28) | protein | 236 | 28% helix, 23% strand | Q02PG8 |
Ligands and binding sites
- HPA · Hypoxanthine · ligand · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 4 copies · chains A, E, B, D, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 926 | 0.86 | 0.88 | 127 | SO4 |
| 2 | 627 | 0.84 | 0.89 | 82 | empty |
| 3 | 695 | 0.84 | 0.88 | 82 | empty |
| 4 | 486 | 0.73 | 0.82 | 46 | HPA |
| 5 | 420 | 0.73 | 0.83 | 39 | HPA |
Interfaces
12 interfaces between chains.
- A–C · 1107 Ų buried · 14 hydrogen bonds · protein-protein
- D–F · 1099 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1071 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 1064 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1055 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3OZB · Crystal Structure of 5'-methylthioinosine phosphorylase from Psedomonas aeruginosa in… · 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 Q02PG8
- Elsewhere: RCSB PDB 3OZB · PDBe 3OZB · UniProt Q02PG8
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