MolNFT v1 · #60607 · protein
Crystal structure of chromosome partitioning protein (para) in complex with ADP from synechocystis sp. northeast structural genomics consortium target SGR89
3CWQ · Para family chromosome partitioning protein: “Crystal structure of chromosome partitioning protein (para) in complex with ADP from synechocystis sp.…”. X-ray diffraction, 1 ligand (ADP), 5 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 3CWQ
- Type
- protein
- Length
- 403 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Para family chromosome partitioning protein
- UniProt
- Q6YRW8
- Ligands
- ADP
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Para family chromosome partitioning protein | protein | 206 | 45% helix, 18% strand | Q6YRW8 |
| B | Para family chromosome partitioning protein | protein | 197 | 49% helix, 19% strand | Q6YRW8 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.74 | 0.97 | 27 | empty |
| 2 | 105 | 0.42 | 0.77 | 26 | ADP |
| 3 | 106 | 0.40 | 0.76 | 25 | ADP |
| 4 | 80 | 0.33 | 0.74 | 17 | empty |
| 5 | 54 | 0.32 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1005 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3CWQ · Crystal structure of chromosome partitioning protein (ParA) in complex with ADP from… · 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 Q6YRW8
- Elsewhere: RCSB PDB 3CWQ · PDBe 3CWQ · UniProt Q6YRW8
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