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Crystal structure of the pseudomonas aeruginosa MURG:UDP-glcnac substrate complex

Analyse Crystal structure of the pseudomonas aeruginosa MURG:UDP-glcnac substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3S2U
Type: protein
Length: 331 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol…
EC: 2.4.1.227
UniProt: Q9HW01
Ligands: UD1
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase (EC 2.4.1.227)	protein	331	45% helix, 15% strand	Q9HW01

Ligands and binding sites

UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	211	0.64	0.83	30	UD1
2	88	0.58	0.86	17	empty
3	89	0.57	0.87	18	empty

Compared structures

3S2U · Crystal structure of the Pseudomonas aeruginosa MurG:UDP-GlcNAc substrate complex · the same entry in another collection · chain A against A, TM-score 1.00
Q9HW01 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine… · a predicted model of the same protein · chain A against A, TM-score 0.92

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 Q9HW01
Elsewhere: RCSB PDB 3S2U · PDBe 3S2U · UniProt Q9HW01

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