MolNFT v1 · #154692 · protein
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
6KJH · Putative beta-lactamase: “Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.71). MolNFT v1 #154692 on GenesisL1: 3D…
- PDB
- 6KJH
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative beta-lactamase
- UniProt
- A0A0U1X4V6
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative beta-lactamase | protein | 359 | 36% helix, 18% strand | A0A0U1X4V6 |
Ligands and binding sites
- 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 | 403 | 0.71 | 0.82 | 54 | SO4 |
| 2 | 63 | 0.39 | 0.79 | 15 | empty |
Compared structures
- 6KJH · 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 6KJH · PDBe 6KJH · UniProt A0A0U1X4V6
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