MolNFT v1 · #152923 · protein
Pcbh parm non-polymerisable quadruple mutant
6IXW: “Pcbh parm non-polymerisable quadruple mutant”. X-ray diffraction, 2 ligands (ADP, MG), 12 pockets (best druggability 0.75). MolNFT v1 #152923 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IXW
- Type
- protein
- Length
- 1,024 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pcbh parm
- UniProt
- A0A0B4W229
- Ligands
- ADP, MG
- Pockets
- 12 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Pcbh parm | protein | 342 | 37% helix, 27% strand | A0A0B4W229 |
| B, A | Pcbh parm | protein | 341 | 35% helix, 28% strand | A0A0B4W229 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains C, B, A
- MG · Magnesium ion · metal · 5 copies · chains C, B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 378 | 0.75 | 0.85 | 50 | ADP, MG |
| 2 | 544 | 0.75 | 0.82 | 74 | ADP, MG |
| 3 | 345 | 0.74 | 0.85 | 48 | ADP, MG |
| 4 | 203 | 0.47 | 0.75 | 26 | empty |
| 5 | 160 | 0.46 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- C–B · 502 Ų buried · 4 hydrogen bonds · protein-protein
- B–A · 499 Ų buried · 5 hydrogen bonds · protein-protein
- C–A · 441 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6IXW · pCBH ParM non-polymerisable quadruple mutant · the same entry in another collection · chain C against C, 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 A0A0B4W229
- Elsewhere: RCSB PDB 6IXW · PDBe 6IXW · UniProt A0A0B4W229
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