MolNFT v2 · #155098 · protein
The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR)
6JZQ · Long-chain acyl-[acyl-carrier-protein] reductase: “The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR)”. X-ray diffraction at 2.798, 16 pockets (best druggability 0.83). MolNFT v2 #155098 on GenesisL1: 3D…
- PDB
- 6JZQ
- Type
- protein
- Length
- 1,713 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.798
- Source
- Synechococcus elongatus PCC 7942
- Molecule
- Long-chain acyl-[acyl-carrier-protein] reductase
- EC
- 1.2.1.80
- UniProt
- Q54765
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · resolution 2.798 · 4 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Long-chain acyl-[acyl-carrier-protein] reductase (EC 1.2.1.80) | protein | 340 | 40% helix, 19% strand | Q54765 |
| B, E | Long-chain acyl-[acyl-carrier-protein] reductase (EC 1.2.1.80) | protein | 345 | 39% helix, 19% strand | Q54765 |
| C | Long-chain acyl-[acyl-carrier-protein] reductase (EC 1.2.1.80) | protein | 344 | 37% helix, 19% strand | Q54765 |
| D | Long-chain acyl-[acyl-carrier-protein] reductase (EC 1.2.1.80) | protein | 339 | 37% helix, 18% strand | Q54765 |
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1054 | 0.83 | 0.84 | 111 | empty |
| 2 | 947 | 0.83 | 0.84 | 112 | empty |
| 3 | 867 | 0.78 | 0.81 | 95 | empty |
| 4 | 595 | 0.76 | 0.83 | 73 | empty |
| 5 | 407 | 0.69 | 0.81 | 48 | empty |
Interfaces
6 interfaces between chains.
- B–E · 765 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 700 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 692 Ų buried · 6 hydrogen bonds · protein-protein
- A–E · 654 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 303 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6JZQ · The crystal structure of acyl-acyl carrier protein (acyl-acp) reductase (aar) · the same entry in another collection · chain E against E, TM-score 1.00
- Q54765 · AlphaFold monomer V2.0 prediction for long-chain acyl-[acyl-carrier- protein] reductase… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q54765
- Elsewhere: RCSB PDB 6JZQ · PDBe 6JZQ · UniProt Q54765
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