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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: 6KJQ
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: D9F
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative beta-lactamase	protein	359	35% helix, 18% 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

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	410	0.68	0.80	49	D9F

Compared structures

6KJQ · 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 6KJQ · PDBe 6KJQ · UniProt A0A0U1X4V6

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