MolNFT v1 · #176001 · protein

Crystal structure of nucleoside phosphatase SA1684 complex with ATP analogue from staphylococus aureus

7D8I · UPF0374 protein SA1684: “Crystal structure of nucleoside phosphatase SA1684 complex with ATP analogue from staphylococus aureus”. X-ray diffraction, 2 ligands (AGS, CA), 1 pocket (best druggability 0.59). MolNFT v1 #176001 on…

PDB: 7D8I
Type: protein
Length: 174 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: UPF0374 protein SA1684
UniProt: Q7A4T2
Ligands: AGS, CA
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	UPF0374 protein SA1684	protein	174	28% helix, 43% strand	Q7A4T2

Ligands and binding sites

AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	238	0.59	0.80	33	AGS

Compared structures

7D8I · Crystal structure of nucleoside phosphatase Sa1684 complex with ATP analogue from… · the same entry in another collection · chain A against A, TM-score 1.00
Q7A4T2 · AlphaFold monomer V2.0 prediction for UPF0374 protein SA1684 (Q7A4T2) · a predicted model of the same protein · chain A 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 Q7A4T2
Elsewhere: RCSB PDB 7D8I · PDBe 7D8I · UniProt Q7A4T2

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