MolNFT v1 · #145607 · protein
Directed evolutionary changes in kemp eliminase KE07 - crystal 27 round 7-2
6CT3: “Directed evolutionary changes in kemp eliminase KE07 - crystal 27 round 7-2”. X-ray diffraction, 2 ligands (6VP, SO4), 1 pocket (best druggability 0.67). MolNFT v1 #145607 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6CT3
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kemp eliminase
- Ligands
- 6VP, SO4
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kemp eliminase | protein | 249 | 41% helix, 25% strand | — |
Ligands and binding sites
- 6VP · 5-nitro-2-oxidanyl-benzenecarbonitrile · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 4 copies · 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 | 337 | 0.67 | 0.82 | 46 | GOL, 6VP, SO4 |
Compared structures
- 6CT3 · Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2 · 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 6CT3 · PDBe 6CT3
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