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The structure of EANB/T414V complex with hercynine

Analyse The structure of EANB/T414V complex with hercynine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6KVZ
Type: protein
Length: 430 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfurtransferase
UniProt: B3ECE3
Ligands: AVJ, MG, CL
Pockets: 6 · best druggability 0.67

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfurtransferase	protein	430	33% helix, 17% strand	B3ECE3

Ligands and binding sites

AVJ · N,N,N-trimethyl-histidine · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
CL · Chloride ion · ion · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

6 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	69	0.67	0.93	19	AVJ
2	112	0.50	0.81	21	CL
3	129	0.47	0.78	25	empty
4	51	0.39	0.81	12	empty
5	60	0.35	0.78	16	empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

6KVZ · The structure of EanB/T414V 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 6KVZ · PDBe 6KVZ · UniProt B3ECE3

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