MolNFT v1 · #183500 · protein

Triphosphate tunnel metalloenzyme from sulfolobus acidocaldarius in complex with triphosphate and calcium

7NS9 · Triphosphate tunnel metalloenzyme SACI_0718: “Triphosphate tunnel metalloenzyme from sulfolobus acidocaldarius in complex with triphosphate and calcium”. X-ray diffraction, 2 ligands (3PO, CA), 1 pocket (best druggability 0.64).…

PDB: 7NS9
Type: protein
Length: 178 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Triphosphate tunnel metalloenzyme SACI_0718
UniProt: Q4JAT2
Ligands: 3PO, CA
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Triphosphate tunnel metalloenzyme SACI_0718	protein	178	25% helix, 49% strand	Q4JAT2

Ligands and binding sites

3PO · Triphosphate · ligand · chains A
CA · Calcium ion · metal · 2 copies · chains A
ACT · Acetate ion · additive · 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

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	289	0.64	0.81	49	CA, 3PO

Compared structures

7NS9 · Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with… · 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 Q4JAT2
Elsewhere: RCSB PDB 7NS9 · PDBe 7NS9 · UniProt Q4JAT2

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