Research workbench
PLMCAT:ANTF (holo): type II pks acyl-carrier protein in complex with its malonyl-transacylase
Analyse PLMCAT:ANTF (holo): type II pks acyl-carrier protein in complex with its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SMD
- Type
- protein
- Length
- 697 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl carrier protein; Malonyl CoA-acyl carrier protein transacylase
- EC
- 2.3.1.39
- UniProt
- A0A2S8QL96, Q7N385
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein | protein | 78 | 56% helix, 3% strand | A0A2S8QL96 |
| B | Malonyl CoA-acyl carrier protein transacylase (EC 2.3.1.39) | protein | 310 | 52% helix, 16% strand | Q7N385 |
| C | Malonyl CoA-acyl carrier protein transacylase (EC 2.3.1.39) | protein | 309 | 51% helix, 16% strand | Q7N385 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 403 | 0.63 | 0.78 | 50 | empty |
| 2 | 286 | 0.61 | 0.79 | 36 | empty |
| 3 | 184 | 0.55 | 0.79 | 30 | empty |
| 4 | 201 | 0.52 | 0.77 | 28 | empty |
| 5 | 242 | 0.51 | 0.75 | 36 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1183 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 857 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 6SMD · PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its… · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A2S8QL96
- Every structure of UniProt Q7N385
- Elsewhere: RCSB PDB 6SMD · PDBe 6SMD · UniProt A0A2S8QL96 · UniProt Q7N385
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