MolNFT v1 · #155069 · protein

The structure of EANB/T414A complex with hercynine

6KVY · Sulfurtransferase: “The structure of EANB/T414A complex with hercynine”. X-ray diffraction, 3 ligands (AVJ, MG, CL), 5 pockets (best druggability 0.70). MolNFT v1 #155069 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KVY
Type: protein
Length: 429 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfurtransferase
UniProt: B3ECE3
Ligands: AVJ, MG, CL
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfurtransferase	protein	429	33% helix, 17% strand	B3ECE3

Ligands and binding sites

AVJ · N,N,N-trimethyl-histidine · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	87	0.70	0.94	21	AVJ
2	107	0.50	0.81	17	empty
3	126	0.49	0.79	23	empty
4	82	0.40	0.78	21	empty
5	101	0.35	0.74	23	empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

6KVY · The structure of EanB/T414A complex 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 6KVY · PDBe 6KVY · UniProt B3ECE3

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