MolNFT v1 · #49468 · protein

Identification and characterization of two amino acids critical for the substrate inhibition of SULT2A1

2QP4 · Bile salt sulfotransferase: “Identification and characterization of two amino acids critical for the substrate inhibition of SULT2A1”. X-ray diffraction, 1 ligand (AOX), 3 pockets (best druggability 0.77). MolNFT v1 #49468 on…

PDB: 2QP4
Type: protein
Length: 279 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bile salt sulfotransferase
EC: 2.8.2.14
UniProt: Q06520
Ligands: AOX
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bile salt sulfotransferase (EC 2.8.2.14)	protein	279	44% helix, 11% strand	Q06520

Ligands and binding sites

AOX · (3Beta,5alpha)-3-Hydroxyandrostan-17-one · ligand · chains A

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	663	0.77	0.82	59	AOX
2	103	0.57	0.85	21	empty
3	211	0.50	0.76	24	empty

Compared structures

2QP4 · Identification and Characterization of Two Amino Acids Critical for the Substrate… · the same entry in another collection · chain A against A, TM-score 1.00
Q06520 · AlphaFold monomer V2.0 prediction for sulfotransferase 2A1 (Q06520) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q06520
Elsewhere: RCSB PDB 2QP4 · PDBe 2QP4 · UniProt Q06520

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