MolNFT v1 · #110808 · protein

Structural analysis of muru

4Y7U · Nucleotidyl transferase: “Structural analysis of muru”. X-ray diffraction, 4 ligands (2KH, 491, MG), 1 pocket (best druggability 0.53). MolNFT v1 #110808 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4Y7U
Type: protein
Length: 224 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleotidyl transferase
UniProt: E4RE40
Ligands: 2KH, 491, MG, SO4
Pockets: 1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleotidyl transferase	protein	224	34% helix, 26% strand	E4RE40

Ligands and binding sites

2KH · 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine · ligand · chains A
491 · 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · 2 copies · 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	273	0.53	0.75	39	SO4, MG, 2KH, 491

Compared structures

4Y7U · Structural analysis of MurU · 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 E4RE40
Elsewhere: RCSB PDB 4Y7U · PDBe 4Y7U · UniProt E4RE40

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