PDBsum entry 7ocv

Transferase

PDB id: 7ocv

Contents

Protein chain

210 a.a.

Ligands

ACT

V8B

Metals

_ZN

Waters ×334

PDB id:

7ocv

Name:

Transferase

Title:

Human tnks1 in complex with 3-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-6- methyl-2h-pyrrolo[1,2-a]pyrazin-1-one

Structure:

Poly [adp-ribose] polymerase. Chain: a. Synonym: parp. Engineered: yes. Other_details: cys1163 has been covalently modified

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: tnks. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.43Å R-factor: 0.187 R-free: 0.210

Authors:

D.Musil,M.Lehmann,H.-P.Buchstaller

Key ref:

H.P.Buchstaller et al. (2021). Optimization of a screening hit toward m2912, An oral tankyrase inhibitor with antitumor activity in colore cancer models.. J med chem, 64, 10371. PubMed id: 34255518

Date:

28-Apr-21 Release date: 28-Jul-21

Protein chain

O95271  (TNKS1_HUMAN) -  Poly [ADP-ribose] polymerase tankyrase-1 from Homo sapiens

Seq: 1327 a.a.

Struc: 210 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class 1: E.C.2.4.2.- - ?????
• Enzyme class 2: E.C.2.4.2.30 - NAD(+) ADP-ribosyltransferase.

Pathway:

• Reaction: NAD⁺ + (ADP-D-ribosyl)n-acceptor = nicotinamide + (ADP-D- ribosyl)n+1-acceptor + H⁺

NAD(+) + (ADP-D-ribosyl)n-acceptor = nicotinamide (Bound ligand (Het Group name = V8B) matches with 42.86% similarity) + (ADP-D- ribosyl)n+1-acceptor + H(+)

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site