MolNFT v1 · #92747 · protein
Crystal structure of greglin in complex with subtilisin
4GI3 · Kera: “Crystal structure of greglin in complex with subtilisin”. X-ray diffraction, 2 pockets (best druggability 0.59). MolNFT v1 #92747 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4GI3
- Type
- protein
- Length
- 331 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kera; Greglin
- UniProt
- Q9FDF2, P85064
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kera | protein | 274 | 30% helix, 22% strand | Q9FDF2 |
| C | Greglin | protein | 57 | 25% helix, 26% strand | P85064 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.59 | 0.82 | 38 | empty |
| 2 | 65 | 0.30 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–C · 782 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 Q9FDF2
- Every structure of UniProt P85064
- Elsewhere: RCSB PDB 4GI3 · PDBe 4GI3 · UniProt Q9FDF2 · UniProt P85064
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