MolNFT v1 · #102363 · protein

The crystal structure of truncated, Y86E mutant of S. solfataricus acylphosphatase

4OJH: “The crystal structure of truncated, Y86E mutant of S. solfataricus acylphosphatase”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.31). MolNFT v1 #102363 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4OJH
Type: protein
Length: 180 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acylphosphatase
EC: 3.6.1.7
UniProt: Q97ZL0
Ligands: SO4
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acylphosphatase (EC 3.6.1.7)	protein	90	28% helix, 42% strand	Q97ZL0

Ligands and binding sites

SO4 · Sulfate ion · ion · 7 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.31	0.77	21	SO4

Interfaces

1 interface between chains.

A–B · 308 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4OJH · The crystal structure of truncated, Y86E mutant of S. solfataricus acylphosphatase · the same entry in another collection · chain A against A, TM-score 1.00
Q97ZL0 · AlphaFold monomer V2.0 prediction for acylphosphatase (Q97ZL0) · 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 Q97ZL0
Elsewhere: RCSB PDB 4OJH · PDBe 4OJH · UniProt Q97ZL0

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