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Complex of E. COLI adenylosuccinate synthetase with imp, hadacidin, pyrophosphate, and mg

Analyse Complex of E. COLI adenylosuccinate synthetase with imp, hadacidin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1KKF
Type: protein
Length: 431 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenylosuccinate synthetase
EC: 6.3.4.4
UniProt: P12283
Ligands: DPO, HDA, IMP, MG
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenylosuccinate synthetase (EC 6.3.4.4)	protein	431	39% helix, 21% strand	P12283

Ligands and binding sites

DPO · Diphosphate · ligand · chains A
HDA · Hadacidin · ligand · chains A
IMP · Inosinic acid · ligand · chains A
MG · Magnesium ion · metal · 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	486	0.79	0.86	67	DPO, HDA, IMP
2	68	0.39	0.79	17	empty
3	55	0.31	0.76	15	empty

Compared structures

1KKF · Complex of E. coli Adenylosuccinate Synthetase with IMP, Hadacidin, Pyrophosphate, and Mg · 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 P12283
Elsewhere: RCSB PDB 1KKF · PDBe 1KKF · UniProt P12283

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