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Crystal structure of the type B chloramphenicol O-acetyltransferase from vibrio vulnificus

Analyse Crystal structure of the type B chloramphenicol O-acetyltransferase from vibrio… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6PU9
Type: protein
Length: 598 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyltransferase
UniProt: A0A3Q0KYH6
Ligands: CL
Pockets: 4 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 24% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetyltransferase	protein	197	24% helix, 21% strand	A0A3Q0KYH6
B	Acetyltransferase	protein	202	24% helix, 20% strand	A0A3Q0KYH6
C	Acetyltransferase	protein	199	24% helix, 20% strand	A0A3Q0KYH6

Ligands and binding sites

CL · Chloride ion · ion · chains A, B, C
EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	667	0.70	0.78	58	CL
2	294	0.58	0.77	31	EDO
3	309	0.57	0.76	35	EDO
4	292	0.55	0.76	33	EDO

Interfaces

3 interfaces between chains.

B–C · 1621 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1617 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 1596 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

6PU9 · Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus · 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 A0A3Q0KYH6
Elsewhere: RCSB PDB 6PU9 · PDBe 6PU9 · UniProt A0A3Q0KYH6

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