MolNFT v1 · #158738 · protein
Crystal structure analysis of PIN1
6O34 · Peptidyl-prolyl cis-trans isomerase nima-interacting 1: “Crystal structure analysis of PIN1”. X-ray diffraction, 4 ligands (ACE, CIR, NH2), 1 pocket (best druggability 0.32). MolNFT v1 #158738 on GenesisL1: 3D structure, binding…
- PDB
- 6O34
- Type
- protein
- Length
- 153 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase nima-interacting 1; Peptide
- EC
- 5.2.1.8
- UniProt
- Q13526
- Ligands
- ACE, CIR, NH2, SO4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase nima-interacting 1 (EC 5.2.1.8) | protein | 150 | 26% helix, 25% strand | Q13526 |
| B | Peptide | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- CIR · Citrulline · ligand · chains A, B
- NH2 · Amino group · ion · chains B
- SO4 · Sulfate ion · ion · chains A
- 2PE · Nonaethylene glycol · additive · chains A
- GOL · Glycerol · additive · chains A
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 | 54 | 0.32 | 0.77 | 18 | 2PE |
Interfaces
1 interface between chains.
- A–B · 358 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 covalent, 2 modified (covalent ligand, nonstandard).
Compared structures
- 6O34 · Crystal Structure Analysis of PIN1 · 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 Q13526
- Elsewhere: RCSB PDB 6O34 · PDBe 6O34 · UniProt Q13526
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