PDBsum entry 3uh4

Transferase/transferase inhibitor

PDB id

3uh4

Loading ...

Contents

			Protein chain

					209 a.a.

			Ligands

					XAV ×2


					SO4 ×7


					GOL ×3

			Metals

					_ZN ×2

			Waters ×316

PDB id:

3uh4

Links

Name:

Transferase/transferase inhibitor

Title:

Tankyrase-1 complexed with nvp-xav939

Structure:

Tankyrase-1. Chain: a, b. Fragment: parp domain (unp residues 1105-1327). Synonym: tank1, poly [adp-ribose] polymerase 5a, tnks-1, trf1- interacting ankyrin-related adp-ribose polymerase, tankyrase i. Engineered: yes

Source:

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

Resolution:

2.00Å

R-factor:

0.183

R-free:

0.234

Authors:

T.Stams,C.Kirby

Key ref:

C.A.Kirby et al. (2012). Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939. Acta Crystallogr Sect F Struct Biol Cryst Commun, 68, 115-118. PubMed id: 22297980

Date:

03-Nov-11

Release date:

15-Feb-12

PROCHECK

	Headers

	References

Protein chains

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

Seq: Struc:

Seq: Struc:

Seq: Struc:					1327 a.a. 209 a.a.*

Key:

PfamA domain

Secondary structure

CATH domain

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



		Enzyme reactions

Enzyme class 1:

E.C.2.4.2.- - ?????

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Enzyme class 2:

E.C.2.4.2.30 - NAD(+) ADP-ribosyltransferase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

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 = XAV)
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

Added reference

	Acta Crystallogr Sect F Struct Biol Cryst Commun 68:115-118 (2012)
PubMed id: 22297980

Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
C.A.Kirby, A.Cheung, A.Fazal, M.D.Shultz, T.Stams.

ABSTRACT

No abstract given.

Literature references that cite this PDB file's key reference

PubMed id

Reference

23197039

J.L.Riffell, C.J.Lord, and A.Ashworth (2012).
Tankyrase-targeted therapeutics: expanding opportunities in the PARP family.

Nat Rev Drug Discov, 11, 923-936.

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.