MolNFT v1 · #100275 · protein
Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two ef-hand motifs
4MSP · Peptidyl-prolyl cis-trans isomerase FKBP14: “Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two ef-hand…”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.80). MolNFT…
- PDB
- 4MSP
- Type
- protein
- Length
- 378 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase FKBP14
- EC
- 5.2.1.8
- UniProt
- Q9NWM8
- Ligands
- CA
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase FKBP14 (EC 5.2.1.8) | protein | 189 | 28% helix, 27% strand | Q9NWM8 |
| B | Peptidyl-prolyl cis-trans isomerase FKBP14 (EC 5.2.1.8) | protein | 189 | 29% helix, 26% strand | Q9NWM8 |
Ligands and binding sites
- CA · Calcium ion · metal · 5 copies · chains A, B
- PGO · S-1,2-propanediol · additive · 8 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.80 | 0.81 | 107 | 1PE, PGO |
| 2 | 145 | 0.44 | 0.75 | 20 | empty |
| 3 | 80 | 0.33 | 0.75 | 20 | PGO |
| 4 | 56 | 0.33 | 0.77 | 15 | empty |
| 5 | 60 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1953 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4MSP · Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWM8 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP14 (Q9NWM8) · a predicted model of the same protein · chain A against A, TM-score 0.67
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 Q9NWM8
- Elsewhere: RCSB PDB 4MSP · PDBe 4MSP · UniProt Q9NWM8
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