Research workbench
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Analyse Functional and structural insights into the unusual oxyanion hole-like geometry… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KJP
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative beta-lactamase
- UniProt
- A0A0U1X4V6
- Ligands
- D9F, SO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative beta-lactamase | protein | 358 | 35% helix, 17% strand | A0A0U1X4V6 |
Ligands and binding sites
- D9F · (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z}, 19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one · ligand · chains A
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 382 | 0.66 | 0.79 | 44 | SO4, D9F |
| 2 | 66 | 0.38 | 0.78 | 14 | empty |
Compared structures
- 6KJP · Functional and structural insights into the unusual oxyanion hole-like geometry in… · 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 A0A0U1X4V6
- Elsewhere: RCSB PDB 6KJP · PDBe 6KJP · UniProt A0A0U1X4V6
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