MolNFT v1 · #188953 · protein
PCC6803 cyanophycinase S132DAP covalently bound to cyanophycin dimer
7UQW: “PCC6803 cyanophycinase S132DAP covalently bound to cyanophycin dimer”. X-ray diffraction, 3 ligands (ARF, 7ID, SO4), 4 pockets (best druggability 0.78). MolNFT v1 #188953 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7UQW
- Type
- protein
- Length
- 792 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyanophycinase
- EC
- 3.4.15.6
- UniProt
- P73832
- Ligands
- ARF, 7ID, SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyanophycinase (EC 3.4.15.6) | protein | 265 | 30% helix, 28% strand | P73832 |
| B | Cyanophycinase (EC 3.4.15.6) | protein | 263 | 30% helix, 30% strand | P73832 |
| C | Cyanophycinase (EC 3.4.15.6) | protein | 264 | 30% helix, 28% strand | P73832 |
Ligands and binding sites
- ARF · Formamide · ligand · 7 copies · chains B, C
- 7ID · (2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene) methyl]amino]-1-$L^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$L^{2}-azanyl-4-oxidanylidene-butanoic acid · ligand · 6 copies · chains A, B, C
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.78 | 0.81 | 73 | ARF |
| 2 | 107 | 0.40 | 0.76 | 23 | ARF |
| 3 | 86 | 0.38 | 0.77 | 17 | empty |
| 4 | 50 | 0.24 | 0.73 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1474 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 466 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent, 3 modified (covalent ligand, nonstandard).
Compared structures
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 P73832
- Elsewhere: RCSB PDB 7UQW · PDBe 7UQW · UniProt P73832
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