Research workbench
Structure of a ketosynthase-acyltransferase di-domain from module curl of the curacin a polyketide synthase
Analyse Structure of a ketosynthase-acyltransferase di-domain from module curl of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MZ0
- Type
- protein
- Length
- 1,719 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Curl
- EC
- 2.3.1.41
- UniProt
- F4Y424
- Ligands
- CA
- Pockets
- 15 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Curl (EC 2.3.1.41) | protein | 896 | 42% helix, 19% strand | F4Y424 |
| B | Curl (EC 2.3.1.41) | protein | 823 | 39% helix, 19% strand | F4Y424 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.88 | 0.89 | 126 | empty |
| 2 | 330 | 0.70 | 0.83 | 39 | empty |
| 3 | 443 | 0.66 | 0.78 | 47 | empty |
| 4 | 440 | 0.63 | 0.77 | 55 | empty |
| 5 | 327 | 0.63 | 0.80 | 46 | empty |
Interfaces
1 interface between chains.
- A–B · 2964 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 4MZ0 · Structure of a ketosynthase-acyltransferase di-domain from module CurL of the curacin A… · 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 F4Y424
- Elsewhere: RCSB PDB 4MZ0 · PDBe 4MZ0 · UniProt F4Y424
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