MolNFT v1 · #6996 · protein
Crystal structure of streptococcus pneumoniae acyl carrier protein synthase (3'5'-ADP complex)
1FTH: “Crystal structure of streptococcus pneumoniae acyl carrier protein synthase (3'5'-ADP complex)”. X-ray diffraction, 1 ligand (A3P), 4 pockets (best druggability 0.79). MolNFT v1 #6996 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1FTH
- Type
- protein
- Length
- 346 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl carrier protein synthase
- EC
- 2.7.8.7
- UniProt
- P0A2W6
- Ligands
- A3P
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein synthase (EC 2.7.8.7) | protein | 117 | 41% helix, 31% strand | P0A2W6 |
| B | Acyl carrier protein synthase (EC 2.7.8.7) | protein | 116 | 42% helix, 31% strand | P0A2W6 |
| C | Acyl carrier protein synthase (EC 2.7.8.7) | protein | 113 | 40% helix, 32% strand | P0A2W6 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.79 | 0.98 | 24 | empty |
| 2 | 338 | 0.56 | 0.75 | 41 | A3P |
| 3 | 341 | 0.54 | 0.74 | 42 | A3P |
| 4 | 223 | 0.47 | 0.74 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–C · 667 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 663 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 638 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1FTH · Crystal structure of streptococcus pneumoniae acyl carrier protein synthase (3'5'-ADP… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A2W6 · AlphaFold monomer V2.0 prediction for holo-[acyl-carrier-protein] synthase (P0A2W6) · a predicted model of the same protein · chain C 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 P0A2W6
- Elsewhere: RCSB PDB 1FTH · PDBe 1FTH · UniProt P0A2W6
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