Research workbench
Holo-(acyl carrier protein) synthase in complex with holo-(acyl carrier protein)
Analyse Holo-(acyl carrier protein) synthase in complex with holo-(acyl carrier protein) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1F80
- Type
- protein
- Length
- 573 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Holo-(acyl carrier protein) synthase; Acyl carrier protein
- EC
- 2.7.8.7
- UniProt
- P96618, P80643
- Ligands
- NA
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 5 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Holo-(acyl carrier protein) synthase (EC 2.7.8.7) | protein | 118 | 38% helix, 31% strand | P96618 |
| C | Holo-(acyl carrier protein) synthase (EC 2.7.8.7) | protein | 116 | 40% helix, 28% strand | P96618 |
| D | Acyl carrier protein | protein | 74 | 59% helix, 3% strand | P80643 |
| E | Acyl carrier protein | protein | 74 | 64% helix, 3% strand | P80643 |
| F | Acyl carrier protein | protein | 73 | 52% helix, 3% strand | P80643 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 682 | 0.76 | 0.82 | 67 | NA |
| 2 | 647 | 0.72 | 0.79 | 54 | empty |
| 3 | 814 | 0.70 | 0.76 | 57 | empty |
Interfaces
8 interfaces between chains.
- B–D · 862 Ų buried · 21 hydrogen bonds · protein-protein
- A–E · 802 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 747 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 707 Ų buried · 11 hydrogen bonds · protein-protein
- C–F · 698 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (nonstandard).
Compared structures
- 1F80 · Holo-(acyl carrier protein) synthase in complex with holo-(acyl carrier protein) · the same entry in another collection · chain F against F, TM-score 1.00
- P96618 · AlphaFold monomer V2.0 prediction for holo-[acyl-carrier-protein] synthase (P96618) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P80643 · AlphaFold monomer V2.0 prediction for acyl carrier protein (P80643) · a predicted model of the same protein · chain E 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 P96618
- Every structure of UniProt P80643
- Elsewhere: RCSB PDB 1F80 · PDBe 1F80 · UniProt P96618 · UniProt P80643
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