MolNFT v1 · #168903 · protein
Crystal structure of an ancestral cyclohexadienyl dehydratase, anccdt- 5
6WUP · Ancestral cyclohexadienyl dehydratase, anccdt-5: “Crystal structure of an ancestral cyclohexadienyl dehydratase, anccdt- 5”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.66). MolNFT v1 #168903 on GenesisL1: 3D…
- PDB
- 6WUP
- Type
- protein
- Length
- 234 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ancestral cyclohexadienyl dehydratase, anccdt-5
- Ligands
- CL
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ancestral cyclohexadienyl dehydratase, anccdt-5 | protein | 234 | 40% helix, 23% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 286 | 0.66 | 0.82 | 37 | CL, EPE |
| 2 | 74 | 0.35 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6WUP · Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5 · 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 6WUP · PDBe 6WUP
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