MolNFT v1 · #118270 · protein

Scabin toxin from streptomyces scabies in complex with inhibitor P6E

5EWY · Putative ADP-ribosyltransferase scabin: “Scabin toxin from streptomyces scabies in complex with inhibitor P6E”. X-ray diffraction, 1 ligand (5TQ), 2 pockets (best druggability 0.60). MolNFT v1 #118270 on GenesisL1: 3D structure…

PDB: 5EWY
Type: protein
Length: 165 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative ADP-ribosyltransferase scabin
EC: 2.4.2.31
UniProt: C9Z6T8
Ligands: 5TQ
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative ADP-ribosyltransferase scabin (EC 2.4.2.31)	protein	165	21% helix, 24% strand	C9Z6T8

Ligands and binding sites

5TQ · 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid · ligand · chains A

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

Pockets

2 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	261	0.60	0.80	35	5TQ
2	57	0.41	0.82	17	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5EWY · Scabin toxin from Streptomyces Scabies in complex with inhibitor P6E · 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 C9Z6T8
Elsewhere: RCSB PDB 5EWY · PDBe 5EWY · UniProt C9Z6T8

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