MolNFT v1 · #118472 · protein
Crystal structure of membrane associated pata from mycobacterium smegmatis in complex with palmitate - C 2 space group
5F2T · Phosphatidylinositol mannoside acyltransferase: “Crystal structure of membrane associated pata from mycobacterium smegmatis in complex with palmitate - C 2…”. X-ray diffraction, 2 ligands (PLM, MG), 4 pockets (best druggability…
- PDB
- 5F2T
- Type
- protein
- Length
- 509 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol mannoside acyltransferase
- EC
- 2.3.1.-
- UniProt
- A0QWG5
- Ligands
- PLM, MG
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol mannoside acyltransferase (EC 2.3.1.-) | protein | 247 | 49% helix, 19% strand | A0QWG5 |
| B | Phosphatidylinositol mannoside acyltransferase (EC 2.3.1.-) | protein | 262 | 50% helix, 18% strand | A0QWG5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 686 | 0.83 | 0.87 | 78 | PLM |
| 2 | 412 | 0.79 | 0.87 | 51 | PLM |
| 3 | 78 | 0.46 | 0.81 | 20 | empty |
| 4 | 108 | 0.43 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 418 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5F2T · Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- A0QWG5 · AlphaFold monomer V2.0 prediction for phosphatidylinositol mannoside acyltransferase… · 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 A0QWG5
- Elsewhere: RCSB PDB 5F2T · PDBe 5F2T · UniProt A0QWG5
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