MolNFT v1 · #150242 · protein

Crystal structure of leishmania major N-myristoyltransferase (nmt) with bound myristoyl-CoA and an azepanyl phenyl benzylsulphonamide ligand

6GNS · Glycylpeptide N-tetradecanoyltransferase: “Crystal structure of leishmania major N-myristoyltransferase (nmt) with bound myristoyl-CoA and an azepanyl…”. X-ray diffraction, 2 ligands (MYA, F65), 3 pockets (best druggability 0.81).…

PDB: 6GNS
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: MYA, F65
Pockets: 3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycylpeptide N-tetradecanoyltransferase (EC 2.3.1.97)	protein	411	32% helix, 28% strand	Q4Q5S8

Ligands and binding sites

MYA · Tetradecanoyl-coa · ligand · chains A
F65 · methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	911	0.81	0.83	80	MYA, F65
2	86	0.49	0.82	18	empty
3	96	0.38	0.76	19	empty

Compared structures

6GNS · 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 6GNS · PDBe 6GNS · UniProt Q4Q5S8

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