MolNFT v1 · #113469 · protein

Crystal structure of leishmania major N- myristoyltransferase (nmt) with bound myristoyl-CoA and a benzomorpholinone ligand

5AGE · Glycylpeptide N-tetradecanoyltransferase: “Crystal structure of leishmania major N- myristoyltransferase (nmt) with bound myristoyl-CoA and a…”. X-ray diffraction, 2 ligands (M9M, MYA), 3 pockets (best druggability 0.79). MolNFT v1…

PDB: 5AGE
Type: protein
Length: 411 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycylpeptide N-tetradecanoyltransferase
EC: 2.3.1.97
UniProt: Q4Q5S8
Ligands: M9M, MYA
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycylpeptide N-tetradecanoyltransferase (EC 2.3.1.97)	protein	411	31% helix, 28% strand	Q4Q5S8

Ligands and binding sites

M9M · 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one · ligand · chains A
MYA · Tetradecanoyl-coa · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	969	0.79	0.81	88	M9M, MYA
2	57	0.72	0.98	23	empty
3	126	0.43	0.76	25	empty

Compared structures

5AGE · Crystal structure of leishmania major N-myristoyltransferase (nmt) with bound… · 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 Q4Q5S8
Elsewhere: RCSB PDB 5AGE · PDBe 5AGE · UniProt Q4Q5S8

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