MolNFT v1 · #10917 · protein

Crystal structure of yeast ATP sulfurylase

1J70 · ATP sulphurylase: “Crystal structure of yeast ATP sulfurylase”. X-ray diffraction, 2 ligands (NA, PO4), 19 pockets (best druggability 0.80). MolNFT v1 #10917 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1J70
Type: protein
Length: 1,535 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP sulphurylase
EC: 2.7.7.4
UniProt: P08536
Ligands: NA, PO4
Pockets: 19 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ATP sulphurylase (EC 2.7.7.4)	protein	512	38% helix, 18% strand	P08536
C	ATP sulphurylase (EC 2.7.7.4)	protein	511	38% helix, 19% strand	P08536

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A, C
PO4 · Phosphate ion · ion · 3 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	934	0.80	0.82	104	PO4
2	760	0.74	0.79	60	PO4
3	582	0.72	0.80	46	PO4
4	277	0.57	0.77	29	empty
5	137	0.53	0.81	22	empty

Interfaces

1 interface between chains.

A–B · 1729 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

1J70 · Crystal structure of yeast ATP sulfurylase · the same entry in another collection · chain A against A, TM-score 1.00
P08536 · AlphaFold monomer V2.0 prediction for sulfate adenylyltransferase (P08536) · a predicted model of the same protein · chain C against A, TM-score 0.99

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 P08536
Elsewhere: RCSB PDB 1J70 · PDBe 1J70 · UniProt P08536

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