MolNFT v1 · #155004 · protein
Structure of eanb with hercynine
6KTW · Sulfurtransferase: “Structure of eanb with hercynine”. X-ray diffraction, 4 ligands (AVJ, MG, NA), 6 pockets (best druggability 0.67). MolNFT v1 #155004 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KTW
- Type
- protein
- Length
- 430 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfurtransferase
- UniProt
- B3ECE3
- Ligands
- AVJ, MG, NA, CL
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfurtransferase | protein | 430 | 34% helix, 17% strand | B3ECE3 |
Ligands and binding sites
- AVJ · N,N,N-trimethyl-histidine · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- IMD · Imidazole · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.67 | 0.93 | 19 | AVJ |
| 2 | 116 | 0.51 | 0.81 | 23 | CL, GOL, EDO |
| 3 | 140 | 0.50 | 0.79 | 23 | GOL |
| 4 | 52 | 0.38 | 0.80 | 13 | empty |
| 5 | 79 | 0.37 | 0.77 | 22 | empty |
Compared structures
- 6KTW · structure of EanB with hercynine · 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 B3ECE3
- Elsewhere: RCSB PDB 6KTW · PDBe 6KTW · UniProt B3ECE3
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