MolNFT v1 · #153816 · protein
Structure of paaz, a bifunctional enzyme in complex with NADP+ and ocoa
6JQN · Bifunctional protein paaz: “Structure of paaz, a bifunctional enzyme in complex with NADP+ and ocoa”. Electron microscopy, 2 ligands (NAP, CO8), 20 pockets (best druggability 0.85). MolNFT v1 #153816 on GenesisL1: 3D structure…
- PDB
- 6JQN
- 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
- UniProt
- P77455
- Ligands
- NAP, CO8
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 1 distinct chain · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Bifunctional protein paaz (EC 3.3.2.12) | protein | 678 | 32% helix, 20% strand | P77455 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 6 copies · chains A, B, C, D, E, F
- CO8 · Octanoyl-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 | 813 | 0.85 | 0.88 | 62 | empty |
| 2 | 835 | 0.85 | 0.87 | 64 | empty |
| 3 | 179 | 0.85 | 0.99 | 19 | empty |
| 4 | 863 | 0.84 | 0.86 | 57 | empty |
| 5 | 632 | 0.79 | 0.84 | 69 | empty |
Interfaces
15 interfaces between chains.
- C–D · 5106 Ų buried · 76 hydrogen bonds · protein-protein
- E–F · 5104 Ų buried · 67 hydrogen bonds · protein-protein
- A–B · 5093 Ų buried · 72 hydrogen bonds · protein-protein
- B–E · 456 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 455 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6JQN · Structure of PaaZ, a bifunctional enzyme in complex with NADP+ and OCoA · 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 0.99
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 6JQN · PDBe 6JQN · UniProt P77455
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