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Crystal structure of Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase from Burkholderia thailandensis

Analyse Crystal structure of Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4EQY
Type: protein
Length: 1,566 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.8
Source: Burkholderia thailandensis
Molecule: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase; HIS-HIS-HIS…
EC: 2.3.1.129
UniProt: Q2SWY6
Pockets: 18 · best druggability 0.71

Structure

x-ray diffraction · resolution 1.8 · 3 distinct chains · 17% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E	Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase (EC 2.3.1.129)	protein	261	17% helix, 29% strand	Q2SWY6
C, F, G	Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase (EC 2.3.1.129)	protein	260	18% helix, 29% strand	Q2SWY6
X	HIS-HIS-HIS peptide	protein	3	0% helix, 0% strand	—

Pockets

18 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	438	0.71	0.82	56	empty
2	67	0.68	0.95	21	empty
3	72	0.68	0.94	22	empty
4	476	0.68	0.79	46	empty
5	444	0.67	0.79	50	empty

Interfaces

8 interfaces between chains.

E–F · 1142 Å² buried · 17 hydrogen bonds · protein-protein
F–G · 1133 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1126 Å² buried · 18 hydrogen bonds · protein-protein
E–G · 1123 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 1118 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

4EQY · Crystal structure of acyl-[acyl-carrier-protein]--udp-N- acetylglucosamine… · the same entry in another collection · chain X against X, TM-score 1.00
Q2SWY6 · AlphaFold monomer V2.0 prediction for acyl-[acyl-carrier… · a predicted model of the same protein · 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 Q2SWY6
Elsewhere: RCSB PDB 4EQY · PDBe 4EQY · UniProt Q2SWY6

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