MolNFT v1 · #12184 · protein

Crystal structure of E. COLI argininosuccinate synthetase in complex with aspartate and citrulline

1K97 · Argininosuccinate synthase: “Crystal structure of E. COLI argininosuccinate synthetase in complex with aspartate and citrulline”. X-ray diffraction, 2 ligands (ASP, CIR), 2 pockets (best druggability 0.73). MolNFT v1 #12184 on…

PDB: 1K97
Type: protein
Length: 432 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Argininosuccinate synthase
EC: 6.3.4.5
UniProt: P0A6E4
Ligands: ASP, CIR
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Argininosuccinate synthase (EC 6.3.4.5)	protein	432	42% helix, 19% strand	P0A6E4

Ligands and binding sites

ASP · Aspartic acid · ligand · chains A
CIR · Citrulline · ligand · chains A

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

Pockets

2 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	857	0.73	0.78	71	ASP, CIR
2	57	0.33	0.77	14	empty

Compared structures

1K97 · Crystal Structure of E. coli Argininosuccinate Synthetase in complex with Aspartate and… · the same entry in another collection · chain A against A, TM-score 1.00
P0A6E4 · AlphaFold monomer V2.0 prediction for argininosuccinate synthase (P0A6E4) · 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 P0A6E4
Elsewhere: RCSB PDB 1K97 · PDBe 1K97 · UniProt P0A6E4

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