MolNFT v1 · #148810 · protein
Structural dynamics and catalytic properties of a multi-modular xanthanase (pt derivative)
6FHN · Protein: “Structural dynamics and catalytic properties of a multi-modular xanthanase (pt derivative)”. X-ray diffraction, 5 ligands (CA, NA, PT), 8 pockets (best druggability 0.70). MolNFT v1 #148810 on GenesisL1: 3D structure…
- PDB
- 6FHN
- Type
- protein
- Length
- 978 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein
- Ligands
- CA, NA, PT, SCN, CL
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein | protein | 978 | 24% helix, 29% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 5 copies · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- PT · Platinum (II) ion · metal · 2 copies · chains A
- SCN · Thiocyanate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- MLI · Malonate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 761 | 0.70 | 0.77 | 74 | MLI |
| 2 | 346 | 0.60 | 0.77 | 49 | empty |
| 3 | 168 | 0.52 | 0.78 | 21 | empty |
| 4 | 174 | 0.46 | 0.75 | 30 | PT, B3P, SCN |
| 5 | 142 | 0.45 | 0.76 | 27 | empty |
Compared structures
- 6FHN · Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative) · 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 6FHN · PDBe 6FHN
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