MolNFT v1 · #68923 · protein
Structure-guided design of alpha-amino acid-derived PIN1 inhibitors
3KAF · Peptidyl-prolyl cis-trans isomerase nima-interacting 1: “Structure-guided design of alpha-amino acid-derived PIN1 inhibitors”. X-ray diffraction, 1 ligand (4D9). MolNFT v1 #68923 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3KAF
- Type
- protein
- Length
- 145 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
- 4D9
Structure
x-ray diffraction · 1 distinct chain · 26% 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 | 145 | 26% helix, 26% strand | Q13526 |
Ligands and binding sites
- 4D9 · 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 3KAF · Structure-guided design of alpha-amino acid-derived Pin1 inhibitors · 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 3KAF · PDBe 3KAF · UniProt Q13526
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