MolNFT v1 · #98612 · protein

Spinosyn forosaminyltransferase spnp

4LEI · Ndp-forosamyltransferase: “Spinosyn forosaminyltransferase spnp”. X-ray diffraction, 1 ligand (TYD), 8 pockets (best druggability 0.76). MolNFT v1 #98612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LEI
Type: protein
Length: 748 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ndp-forosamyltransferase
UniProt: Q9ALN7
Ligands: TYD
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ndp-forosamyltransferase	protein	375	43% helix, 14% strand	Q9ALN7
B	Ndp-forosamyltransferase	protein	373	43% helix, 14% strand	Q9ALN7

Ligands and binding sites

TYD · Thymidine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	159	0.76	0.93	32	empty
2	616	0.73	0.80	81	TYD
3	525	0.69	0.79	55	empty
4	102	0.61	0.87	19	TYD
5	240	0.60	0.80	33	empty

Interfaces

1 interface between chains.

A–B · 1916 Å² buried · 36 hydrogen bonds · protein-protein

Compared structures

4LEI · Spinosyn Forosaminyltransferase SpnP · 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 Q9ALN7
Elsewhere: RCSB PDB 4LEI · PDBe 4LEI · UniProt Q9ALN7

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