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Crystal structure of mccf-like protein (BA_5613) in complex with asa (alanyl sulfamoyl adenylates)
Analyse Crystal structure of mccf-like protein (BA_5613) in complex with asa (alanyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FD8
- Type
- protein
- Length
- 660 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ld-carboxypeptidase family protein
- UniProt
- Q81JT5
- Ligands
- A5A
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ld-carboxypeptidase family protein | protein | 330 | 35% helix, 24% strand | Q81JT5 |
Ligands and binding sites
- A5A · 5'-O-(N-(L-alanyl)-sulfamoyl)adenosine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 918 | 0.79 | 0.81 | 91 | A5A |
| 2 | 78 | 0.57 | 0.87 | 22 | empty |
| 3 | 81 | 0.53 | 0.85 | 22 | empty |
| 4 | 102 | 0.45 | 0.79 | 20 | empty |
| 5 | 66 | 0.35 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1860 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 5FD8 · Crystal Structure of MccF-like Protein (BA_5613) in complex with ASA (alanyl sulfamoyl… · 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 Q81JT5
- Elsewhere: RCSB PDB 5FD8 · PDBe 5FD8 · UniProt Q81JT5
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