MolNFT v1 · #153817 · protein
Structure of paaz, a bifunctional enzyme in complex with NADP+ and ccoa
6JQO · Bifunctional protein paaz: “Structure of paaz, a bifunctional enzyme in complex with NADP+ and ccoa”. Electron microscopy, 2 ligands (NAP, COO), 20 pockets (best druggability 0.85). MolNFT v1 #153817 on GenesisL1: 3D structure…
- PDB
- 6JQO
- Type
- protein
- Length
- 4,068 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein paaz
- EC
- 3.3.2.12, 1.2.1.91
- UniProt
- P77455
- Ligands
- NAP, COO
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 1 distinct chain · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Bifunctional protein paaz (EC 3.3.2.12, 1.2.1.91) | protein | 678 | 31% helix, 21% strand | P77455 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 6 copies · chains A, B, C, D, E, F
- COO · Crotonyl coenzyme A · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.85 | 0.97 | 27 | empty |
| 2 | 1147 | 0.83 | 0.84 | 81 | empty |
| 3 | 1149 | 0.83 | 0.84 | 80 | empty |
| 4 | 1190 | 0.82 | 0.83 | 79 | empty |
| 5 | 814 | 0.79 | 0.83 | 69 | empty |
Interfaces
15 interfaces between chains.
- C–D · 4936 Ų buried · 62 hydrogen bonds · protein-protein
- A–B · 4926 Ų buried · 65 hydrogen bonds · protein-protein
- E–F · 4920 Ų buried · 61 hydrogen bonds · protein-protein
- A–C · 439 Ų buried · 5 hydrogen bonds · protein-protein
- A–E · 435 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6JQO · Structure of PaaZ, a bifunctional enzyme in complex with NADP+ and CCoA · the same entry in another collection · chain C against C, TM-score 1.00
- P77455 · AlphaFold monomer V2.0 prediction for bifunctional protein paaz (P77455) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P77455
- Elsewhere: RCSB PDB 6JQO · PDBe 6JQO · UniProt P77455
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