MolNFT v1 · #187238 · protein
Crystal structure of modular polyketide synthase apo-LSD14 from the lasalocid biosynthesis pathway, trapped in the transacylation step
7S6B: “Crystal structure of modular polyketide synthase apo-LSD14 from the lasalocid biosynthesis pathway, trapped…”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #187238 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7S6B
- Type
- protein
- Length
- 2,882 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase
- UniProt
- B6ZK67
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase | protein | 893 | 41% helix, 18% strand | B6ZK67 |
| B | Polyketide synthase | protein | 879 | 41% helix, 18% strand | B6ZK67 |
| C | Polyketide synthase | protein | 510 | 44% helix, 19% strand | B6ZK67 |
| D | Polyketide synthase | protein | 514 | 43% helix, 20% strand | B6ZK67 |
| E | Polyketide synthase | protein | 86 | 56% helix, 0% strand | B6ZK67 |
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 | 601 | 0.81 | 0.86 | 59 | empty |
| 2 | 904 | 0.80 | 0.82 | 74 | empty |
| 3 | 926 | 0.77 | 0.80 | 96 | empty |
| 4 | 607 | 0.77 | 0.83 | 63 | empty |
| 5 | 1155 | 0.74 | 0.77 | 98 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2473 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 904 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 772 Ų buried · 9 hydrogen bonds · protein-protein
- A–E · 654 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 256 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7S6B · Crystal structure of modular polyketide synthase apo-Lsd14 from the Lasalocid… · 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 B6ZK67
- Elsewhere: RCSB PDB 7S6B · PDBe 7S6B · UniProt B6ZK67
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