MolNFT v1 · #137897 · protein
Crystal structure of mycobacterium tuberculosis kasa
5W2O · 3-oxoacyl-[acyl-carrier-protein] synthase 1: “Crystal structure of mycobacterium tuberculosis kasa”. X-ray diffraction, 3 ligands (TCE, NA, CL), 2 pockets (best druggability 0.61). MolNFT v1 #137897 on GenesisL1: 3D structure…
- PDB
- 5W2O
- Type
- protein
- Length
- 414 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 1
- EC
- 2.3.1.41
- UniProt
- H8ESN0
- Ligands
- TCE, NA, CL
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 1 (EC 2.3.1.41) | protein | 414 | 39% helix, 21% strand | H8ESN0 |
Ligands and binding sites
- TCE · 3,3',3''-phosphanetriyltripropanoic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- IPA · Isopropyl alcohol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.61 | 0.86 | 29 | IPA |
| 2 | 92 | 0.56 | 0.86 | 22 | GOL |
Compared structures
- 5W2O · Crystal structure of Mycobacterium tuberculosis KasA · the same entry in another collection · chain A against A, TM-score 1.00
- H8ESN0 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 1… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 H8ESN0
- Elsewhere: RCSB PDB 5W2O · PDBe 5W2O · UniProt H8ESN0
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