MolNFT v1 · #179642 · protein
Structure of hevin fs-ec
7KBU · Proliferation-inducing protein 33: “Structure of hevin fs-ec”. X-ray diffraction, 4 ligands (NAG, CA, NA), 8 pockets (best druggability 0.54). MolNFT v1 #179642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KBU
- Type
- protein
- Length
- 413 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proliferation-inducing protein 33
- UniProt
- Q8N4S1
- Ligands
- NAG, CA, NA, CL
- Pockets
- 8 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proliferation-inducing protein 33 | protein | 221 | 48% helix, 11% strand | Q8N4S1 |
| B | Proliferation-inducing protein 33 | protein | 192 | 52% helix, 9% strand | Q8N4S1 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · 6 copies · chains A, B
- NA · Sodium ion · metal · chains B
- CL · Chloride ion · ion · 4 copies · chains A, B
- FMT · Formic acid · additive · 4 copies · chains A, B
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 | 221 | 0.54 | 0.77 | 37 | CA, FMT |
| 2 | 172 | 0.52 | 0.78 | 30 | FMT, CL |
| 3 | 154 | 0.51 | 0.79 | 27 | empty |
| 4 | 177 | 0.50 | 0.77 | 27 | empty |
| 5 | 118 | 0.48 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2552 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 7KBU · Structure of Hevin FS-EC · 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 Q8N4S1
- Elsewhere: RCSB PDB 7KBU · PDBe 7KBU · UniProt Q8N4S1
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