MolNFT v1 · #143917 · protein

Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000074 (compound 10A) complex

6BDQ · Sulfotransferase oxamniquine resistance protein: “Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000074 (compound 10A) complex”. X-ray diffraction, 2 ligands (A3P, DE7), 4 pockets (best druggability 0.76). MolNFT v1…

PDB: 6BDQ
Type: protein
Length: 259 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfotransferase oxamniquine resistance protein
UniProt: G4VLE5
Ligands: A3P, DE7
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfotransferase oxamniquine resistance protein	protein	259	53% helix, 7% strand	G4VLE5

Ligands and binding sites

A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
DE7 · (2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol · ligand · 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	255	0.76	0.89	39	DE7
2	129	0.54	0.82	27	A3P
3	109	0.43	0.77	18	empty
4	84	0.32	0.73	16	empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

6BDQ · Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000074 (Compound 10a) Complex · 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 G4VLE5
Elsewhere: RCSB PDB 6BDQ · PDBe 6BDQ · UniProt G4VLE5

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