MolNFT v1 · #114158 · protein
Crystal structure of HPIN1 ww domain (5-15) fused with maltose-binding protein in C2221 form
5B3W · Peptidyl-prolyl cis-trans isomerase nima-interacting 1…: “Crystal structure of HPIN1 ww domain (5-15) fused with maltose-binding protein in C2221 form”. X-ray diffraction, 1 ligand (GLC), 8 pockets (best druggability 0.76). MolNFT…
- PDB
- 5B3W
- Type
- protein
- Length
- 762 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidyl-prolyl cis-trans isomerase nima-interacting 1, maltose-binding periplasmic…
- UniProt
- Q13526, P0AEX9
- Ligands
- GLC
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidyl-prolyl cis-trans isomerase nima-interacting 1, maltose-binding periplasmic protein | protein | 380 | 43% helix, 19% strand | Q13526, P0AEX9 |
| B | Peptidyl-prolyl cis-trans isomerase nima-interacting 1, maltose-binding periplasmic protein | protein | 382 | 45% helix, 20% strand | Q13526, P0AEX9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 517 | 0.76 | 0.84 | 66 | GLC |
| 2 | 271 | 0.70 | 0.85 | 32 | GLC |
| 3 | 298 | 0.63 | 0.80 | 31 | empty |
| 4 | 63 | 0.43 | 0.82 | 19 | empty |
| 5 | 61 | 0.40 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1442 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5B3W · Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in C2221… · 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
- Every structure of UniProt P0AEX9
- Elsewhere: RCSB PDB 5B3W · PDBe 5B3W · UniProt Q13526 · UniProt P0AEX9
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