MolNFT v1 · #187860 · protein

Structure of the rieske non-heme iron oxygenase gxta with saxitoxin bound

7SZE · Sxtdiox: “Structure of the rieske non-heme iron oxygenase gxta with saxitoxin bound”. X-ray diffraction, 4 ligands (FES, 9SL, FE), 10 pockets (best druggability 0.80). MolNFT v1 #187860 on GenesisL1: 3D structure, binding sites and…

PDB: 7SZE
Type: protein
Length: 973 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sxtdiox
UniProt: C3RVP5
Ligands: FES, 9SL, FE, CL
Pockets: 10 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sxtdiox	protein	318	21% helix, 33% strand	C3RVP5
B	Sxtdiox	protein	329	21% helix, 36% strand	C3RVP5
C	Sxtdiox	protein	326	21% helix, 33% strand	C3RVP5

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains A, B, C
9SL · [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate · ligand · 3 copies · chains A, B, C
FE · Fe (III) ion · metal · 3 copies · chains A, B, C
CL · Chloride ion · ion · 8 copies · chains A, B, C
GOL · Glycerol · additive · 12 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	581	0.80	0.86	49	9SL
2	437	0.79	0.87	49	9SL
3	359	0.78	0.88	41	9SL
4	418	0.59	0.75	53	GOL, CL
5	304	0.59	0.78	32	empty

Interfaces

3 interfaces between chains.

B–C · 839 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 275 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 259 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7SZE · Structure of the Rieske Non-heme Iron Oxygenase GxtA with Saxitoxin Bound · 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 C3RVP5
Elsewhere: RCSB PDB 7SZE · PDBe 7SZE · UniProt C3RVP5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.