MolNFT v1 · #9198 · protein
Structure of guanine nucleotide (gppcp) complex of adenylosuccinate synthetase from E. COLI at pH 6.5 and 25 degrees celsius
1HOO: “Structure of guanine nucleotide (gppcp) complex of adenylosuccinate synthetase from E. COLI at pH 6.5 and 25…”. X-ray diffraction, 2 ligands (GNH, GNP), 9 pockets (best druggability 0.84). MolNFT v1 #9198 on GenesisL1: 3D structure…
- PDB
- 1HOO
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- P0A7D4
- Ligands
- GNH, GNP
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 431 | 35% helix, 21% strand | P0A7D4 |
Ligands and binding sites
- GNH · Aminophosphonic acid-guanylate ester · ligand · chains A
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.84 | 0.96 | 36 | empty |
| 2 | 839 | 0.80 | 0.83 | 111 | empty |
| 3 | 1017 | 0.79 | 0.80 | 82 | GNH, GNP |
| 4 | 65 | 0.69 | 0.96 | 22 | empty |
| 5 | 67 | 0.40 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2938 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 1HOO · Structure of guanine nucleotide (gppcp) complex of adenylosuccinate synthetase from E.… · the same entry in another collection · chain B against B, TM-score 1.00
- P0A7D4 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (P0A7D4) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P0A7D4
- Elsewhere: RCSB PDB 1HOO · PDBe 1HOO · UniProt P0A7D4
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