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Crystal structure of SCP2 thiolase from leishmania mexicana. complex of the C123A mutant with coenzyme a.
Analyse Crystal structure of SCP2 thiolase from leishmania mexicana. complex of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZBN
- Type
- protein
- Length
- 1,720 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-ketoacyl-CoA thiolase-like protein
- EC
- 2.3.1.16
- UniProt
- E9AW84
- Ligands
- COA
- Pockets
- 19 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 3-ketoacyl-CoA thiolase-like protein (EC 2.3.1.16) | protein | 430 | 39% helix, 16% strand | E9AW84 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 546 | 0.77 | 0.84 | 72 | empty |
| 2 | 398 | 0.74 | 0.84 | 47 | COA |
| 3 | 370 | 0.73 | 0.84 | 48 | COA |
| 4 | 403 | 0.73 | 0.83 | 48 | empty |
| 5 | 371 | 0.73 | 0.84 | 48 | COA |
Interfaces
4 interfaces between chains.
- A–B · 2497 Ų buried · 58 hydrogen bonds · protein-protein
- C–D · 2471 Ų buried · 56 hydrogen bonds · protein-protein
- B–C · 469 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 215 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3ZBN · Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant… · 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 E9AW84
- Elsewhere: RCSB PDB 3ZBN · PDBe 3ZBN · UniProt E9AW84
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