MolNFT v1 · #174192 · protein
Crystal structure of a parb Q52A mutant from myxococcus xanthus bound to ctpys
7BNR · Parb family protein: “Crystal structure of a parb Q52A mutant from myxococcus xanthus bound to ctpys”. X-ray diffraction, 2 ligands (UFQ, MG), 5 pockets (best druggability 0.86). MolNFT v1 #174192 on GenesisL1: 3D structure, binding…
- PDB
- 7BNR
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Parb family protein
- UniProt
- Q1CVJ4
- Ligands
- UFQ, MG
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Parb family protein | protein | 195 | 56% helix, 13% strand | Q1CVJ4 |
| B | Parb family protein | protein | 196 | 58% helix, 12% strand | Q1CVJ4 |
Ligands and binding sites
- UFQ · Cytosine 5'-[gamma-thio]triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
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 | 347 | 0.86 | 0.95 | 62 | UFQ, MG |
| 2 | 194 | 0.49 | 0.76 | 34 | empty |
| 3 | 94 | 0.36 | 0.75 | 18 | empty |
| 4 | 78 | 0.33 | 0.75 | 17 | empty |
| 5 | 52 | 0.24 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2489 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 7BNR · Crystal structure of a ParB Q52A mutant from Myxococcus xanthus bound to CTPyS · 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 Q1CVJ4
- Elsewhere: RCSB PDB 7BNR · PDBe 7BNR · UniProt Q1CVJ4
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