MolNFT v1 · #12552 · protein
Complex of escherichia COLI adenylosuccinate synthetase with imp and hadacidin
1KKB: “Complex of escherichia COLI adenylosuccinate synthetase with imp and hadacidin”. X-ray diffraction, 2 ligands (HDA, IMP), 2 pockets (best druggability 0.78). MolNFT v1 #12552 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1KKB
- 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
- HDA, IMP
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 431 | 37% helix, 20% strand | P12283 |
Ligands and binding sites
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.78 | 0.85 | 77 | HDA, IMP |
| 2 | 87 | 0.38 | 0.76 | 20 | empty |
Compared structures
- 1KKB · Complex of Escherichia coli Adenylosuccinate Synthetase with IMP and Hadacidin · 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 1KKB · PDBe 1KKB · UniProt P12283
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