MolNFT v1 · #120630 · protein

DNA targeting ADP-ribosyltransferase pierisin-1 in complex with beta- NAD+

5H6L: “DNA targeting ADP-ribosyltransferase pierisin-1 in complex with beta- NAD+”. X-ray diffraction, 1 ligand (NAD), 3 pockets (best druggability 0.53). MolNFT v1 #120630 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5H6L
Type: protein
Length: 443 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pierisin-1
EC: 2.4.2.-
UniProt: H3JU00
Ligands: NAD
Pockets: 3 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pierisin-1 (EC 2.4.2.-)	protein	222	26% helix, 24% strand	H3JU00
B	Pierisin-1 (EC 2.4.2.-)	protein	221	24% helix, 24% strand	H3JU00

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 7 copies · chains A, B

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	224	0.53	0.77	31	NAD
2	188	0.50	0.77	32	NAD, EDO
3	71	0.31	0.74	11	empty

Compared structures

5H6L · DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ · 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 H3JU00
Elsewhere: RCSB PDB 5H6L · PDBe 5H6L · UniProt H3JU00

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