MolNFT v1 · #150961 · protein

Crystal structure of anaerobic ergothioneine biosynthesis enzyme from chlorobium limicola in complex with natural substrate trimethyl histidine.

6H9A · Sulfurtransferase: “Crystal structure of anaerobic ergothioneine biosynthesis enzyme from chlorobium limicola in complex with…”. X-ray diffraction, 4 ligands (AVJ, NA, CL), 4 pockets (best druggability 0.68). MolNFT v1 #150961 on…

PDB: 6H9A
Type: protein
Length: 425 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfurtransferase
UniProt: B3ECE3
Ligands: AVJ, NA, CL, SO4
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfurtransferase	protein	425	33% helix, 18% strand	B3ECE3

Ligands and binding sites

AVJ · N,N,N-trimethyl-histidine · ligand · chains A
NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · 3 copies · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	66	0.68	0.94	20	AVJ
2	194	0.53	0.79	26	empty
3	129	0.48	0.79	25	CL
4	136	0.39	0.74	22	CL

Compared structures

6H9A · Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola… · 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 6H9A · PDBe 6H9A · UniProt B3ECE3

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