MolNFT v1 · #59713 · protein
Crystal structure of a putative 3-keto-5-aminohexanoate cleavage enzyme (REUT_C6226) from ralstonia eutropha JMP134 at 1.72 a resolution
3C6C: “Crystal structure of a putative 3-keto-5-aminohexanoate cleavage enzyme (REUT_C6226) from ralstonia eutropha…”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.72). MolNFT v1 #59713 on GenesisL1: 3D structure…
- PDB
- 3C6C
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-keto-5-aminohexanoate cleavage enzyme
- UniProt
- Q46MU0
- Ligands
- NI
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-keto-5-aminohexanoate cleavage enzyme | protein | 294 | 36% helix, 25% strand | Q46MU0 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- ACT · Acetate ion · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.72 | 0.81 | 49 | ACT, PEG |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 3C6C · Crystal structure of a putative 3-keto-5-aminohexanoate cleavage enzyme (reut_c6226) from… · 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 Q46MU0
- Elsewhere: RCSB PDB 3C6C · PDBe 3C6C · UniProt Q46MU0
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