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Human TNKS1 in complex with 3-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-6- methyl-2H-PYRROLO[1,2-A]PYRAZIN-1-one

Analyse Human TNKS1 in complex with 3-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OCV
Type: protein
Length: 210 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Poly [ADP-ribose] polymerase
EC: 2.4.2.-
UniProt: E7EQ52
Ligands: V8B, ZN
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Poly [ADP-ribose] polymerase (EC 2.4.2.-)	protein	210	24% helix, 29% strand	E7EQ52

Ligands and binding sites

V8B · 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one · ligand · chains A
ZN · Zinc ion · metal · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	312	0.65	0.81	40	V8B

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

7OCV · Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1… · 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 E7EQ52
Elsewhere: RCSB PDB 7OCV · PDBe 7OCV · UniProt E7EQ52

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