MolNFT v1 · #155139 · protein
Crystal structure of a hydrolase mutant
6KY5 · Pet hydrolase: “Crystal structure of a hydrolase mutant”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.42). MolNFT v1 #155139 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KY5
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pet hydrolase
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pet hydrolase | protein | 264 | 29% helix, 23% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 17 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.42 | 0.75 | 27 | empty |
| 2 | 115 | 0.42 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 688 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6KY5 · Crystal structure of a hydrolase mutant · 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
- Elsewhere: RCSB PDB 6KY5 · PDBe 6KY5
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