MolNFT v1 · #12702 · protein
Crystal structure of E. COLI argininosuccinate synthetase in complex with ATP
1KP2: “Crystal structure of E. COLI argininosuccinate synthetase in complex with ATP”. X-ray diffraction, 3 ligands (ATP, GAI, PO4), 3 pockets (best druggability 0.73). MolNFT v1 #12702 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1KP2
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Argininosuccinate synthetase
- EC
- 6.3.4.5
- UniProt
- P0A6E4
- Ligands
- ATP, GAI, PO4
- Pockets
- 3 · 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 synthetase (EC 6.3.4.5) | protein | 431 | 42% helix, 19% strand | P0A6E4 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- GAI · Guanidine · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.73 | 0.79 | 68 | PO4, ATP |
| 2 | 61 | 0.37 | 0.79 | 15 | empty |
| 3 | 59 | 0.27 | 0.73 | 16 | empty |
Compared structures
- 1KP2 · Crystal Structure of E. coli Argininosuccinate Synthetase in Complex with ATP · 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 1KP2 · PDBe 1KP2 · UniProt P0A6E4
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