MolNFT v1 · #54453 · protein
Discovery of cell-active phenyl-imidazole PIN1 inhibitors by structure-guided fragment evolution
2XPA · Peptidyl-prolyl cis-trans isomerase nima-interacting 1: “Discovery of cell-active phenyl-imidazole PIN1 inhibitors by structure-guided fragment evolution”. X-ray diffraction, 1 ligand (4G5). MolNFT v1 #54453 on GenesisL1: 3D…
- PDB
- 2XPA
- Type
- protein
- Length
- 146 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase nima-interacting 1
- EC
- 5.2.1.8
- UniProt
- Q13526
- Ligands
- 4G5
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase nima-interacting 1 (EC 5.2.1.8) | protein | 146 | 27% helix, 26% strand | Q13526 |
Ligands and binding sites
- 4G5 · 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid · ligand · chains A
- 12P · Dodecaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 2XPA · Discovery of cell-active phenyl-imidazole PIN1 inhibitors by structure-guided fragment… · 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 2XPA · PDBe 2XPA · UniProt Q13526
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