MolNFT v1 · #184647 · protein
Ttslyd with M8A pseudo-wild-type S2 peptide
7OXJ · Peptidyl-prolyl cis-trans isomerase: “Ttslyd with M8A pseudo-wild-type S2 peptide”. X-ray diffraction, 3 ligands (NI, MG, CL), 1 pocket (best druggability 0.33). MolNFT v1 #184647 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7OXJ
- Type
- protein
- Length
- 165 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase; 30S ribosomal protein S2; Fragment of 30S ribosomal…
- EC
- 5.2.1.8
- UniProt
- Q5SLE7, P0A7V0
- Ligands
- NI, MG, CL
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 3 distinct chains · 13% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase (EC 5.2.1.8) | protein | 156 | 14% helix, 46% strand | Q5SLE7 |
| D | 30S ribosomal protein S2 | protein | 7 | 0% helix, 14% strand | P0A7V0 |
| E | Fragment of 30S ribosomal protein S2 peptide | protein | 2 | 0% helix, 0% strand | — |
Ligands and binding sites
- NI · Nickel (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.33 | 0.74 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–D · 446 Ų buried · 6 hydrogen bonds · protein-protein
- A–E · 145 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7OXJ · ttSlyD with M8A pseudo-wild-type S2 peptide · 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 Q5SLE7
- Every structure of UniProt P0A7V0
- Elsewhere: RCSB PDB 7OXJ · PDBe 7OXJ · UniProt Q5SLE7 · UniProt P0A7V0
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