MolNFT v1 · #184644 · protein
Ttslyd fkbp domain with M8A pseudo-wild-type S2 peptide
7OXG · Peptidyl-prolyl cis-trans ISOMERASE,PEPTIDYL-prolyl cis…: “Ttslyd fkbp domain with M8A pseudo-wild-type S2 peptide”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.56). MolNFT v1 #184644 on GenesisL1: 3D structure…
- PDB
- 7OXG
- Type
- protein
- Length
- 225 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans ISOMERASE,PEPTIDYL-prolyl cis- trans isomerase; 30S ribosomal…
- EC
- 5.2.1.8
- UniProt
- Q5SLE7, P0A7V0
- Ligands
- CL
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 14% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans ISOMERASE,PEPTIDYL-prolyl cis- trans isomerase (EC 5.2.1.8) | protein | 99 | 14% helix, 45% strand | Q5SLE7 |
| B | Peptidyl-prolyl cis-trans ISOMERASE,PEPTIDYL-prolyl cis- trans isomerase (EC 5.2.1.8) | protein | 99 | 11% helix, 44% strand | Q5SLE7 |
| C | 30S ribosomal protein S2 | protein | 14 | 21% helix, 7% strand | P0A7V0 |
| D | 30S ribosomal protein S2 | protein | 13 | 23% helix, 0% strand | P0A7V0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.56 | 0.86 | 16 | empty |
| 2 | 148 | 0.53 | 0.81 | 31 | empty |
Interfaces
3 interfaces between chains.
- B–D · 575 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 559 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 533 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7OXG · ttSlyD FKBP domain 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 7OXG · PDBe 7OXG · UniProt Q5SLE7 · UniProt P0A7V0
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