MolNFT v1 · #102348 · protein

Crystal structure of truncated acylphosphatase from S. sulfataricus

4OJ1: “Crystal structure of truncated acylphosphatase from S. sulfataricus”. X-ray diffraction, 2 ligands (NA, CL), 1 pocket (best druggability 0.42). MolNFT v1 #102348 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OJ1
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: NA, CL
Pockets: 1 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acylphosphatase (EC 3.6.1.7)	protein	90	26% helix, 43% strand	Q97ZL0

Ligands and binding sites

NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · 4 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	143	0.42	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 265 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4OJ1 · Crystal structure of truncated Acylphosphatase from S. sulfataricus · 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 4OJ1 · PDBe 4OJ1 · UniProt Q97ZL0

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