MolNFT v1 · #171551 · protein

[4FE-4S]-dependent thiouracil desulfidase tuds (DUF523VCZ)

6Z93: “[4FE-4S]-dependent thiouracil desulfidase tuds (DUF523VCZ)”. X-ray diffraction, 2 ligands (SF4, CL), 3 pockets (best druggability 0.66). MolNFT v1 #171551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6Z93
Type: protein
Length: 303 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tuds
UniProt: A0A2H4Z949
Ligands: SF4, CL
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tuds	protein	152	36% helix, 20% strand	A0A2H4Z949
B	Tuds	protein	151	36% helix, 20% strand	A0A2H4Z949

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 9 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.66	0.84	27	empty
2	165	0.65	0.86	29	SF4, EDO
3	161	0.65	0.85	32	SF4, EDO, CL

Interfaces

1 interface between chains.

A–B · 610 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6Z93 · [4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) · 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 A0A2H4Z949
Elsewhere: RCSB PDB 6Z93 · PDBe 6Z93 · UniProt A0A2H4Z949

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