MolNFT v1 · #168651 · protein

Structure of the rieske non-heme iron oxygenase sxtt

6WN3: “Structure of the rieske non-heme iron oxygenase sxtt”. X-ray diffraction, 3 ligands (FES, FE, SO4), 8 pockets (best druggability 0.84). MolNFT v1 #168651 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WN3
Type: protein
Length: 968 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sxtt
UniProt: C3RVQ0
Ligands: FES, FE, SO4
Pockets: 8 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sxtt	protein	324	19% helix, 34% strand	C3RVQ0
B	Sxtt	protein	328	20% helix, 33% strand	C3RVQ0
C	Sxtt	protein	316	21% helix, 33% strand	C3RVQ0

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains A, B, C
FE · Fe (III) ion · metal · 3 copies · chains A, B, C
SO4 · Sulfate ion · ion · 12 copies · chains A, C, B
GOL · Glycerol · additive · 9 copies · chains A, B, C

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	172	0.84	0.99	32	empty
2	166	0.83	0.98	31	empty
3	342	0.81	0.90	42	empty
4	61	0.53	0.87	17	empty
5	56	0.33	0.77	14	empty

Interfaces

3 interfaces between chains.

A–C · 1150 Å² buried · 20 hydrogen bonds · protein-protein
A–B · 1116 Å² buried · 19 hydrogen bonds · protein-protein
B–C · 1114 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

6WN3 · Structure of the Rieske non-heme iron oxygenase SxtT · 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 C3RVQ0
Elsewhere: RCSB PDB 6WN3 · PDBe 6WN3 · UniProt C3RVQ0

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