MolNFT v1 · #66164 · protein

Crystal structure of adenylosuccinate synthetase from yersinia pestis CO92

3HID: “Crystal structure of adenylosuccinate synthetase from yersinia pestis CO92”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #66164 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HID
Type: protein
Length: 424 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenylosuccinate synthetase
EC: 6.3.4.4
UniProt: Q8ZIV7
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylosuccinate synthetase (EC 6.3.4.4)	protein	424	37% helix, 21% strand	Q8ZIV7

Ligands and binding sites

PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	619	0.69	0.78	61	empty
2	54	0.34	0.78	17	empty
3	70	0.33	0.76	16	empty

Compared structures

3HID · Crystal structure of adenylosuccinate synthetase from Yersinia pestis CO92 · the same entry in another collection · chain A against A, TM-score 1.00
Q8ZIV7 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (Q8ZIV7) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q8ZIV7
Elsewhere: RCSB PDB 3HID · PDBe 3HID · UniProt Q8ZIV7

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