PDBsum entry 3q2h

Hydrolase/hydrolase inhibitor

PDB id

3q2h

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Contents

			Protein chain

					284 a.a.

			Ligands

					QHF ×2

			Metals

					_ZN ×2


					_CD ×4


					_NI ×14


					_MG ×3


					_NA ×4

			Waters ×98

PDB id:

3q2h

Links

Name:

Hydrolase/hydrolase inhibitor

Title:

Adamts1 in complex with n-hydroxyformamide inhibitors of adam-ts4

Structure:

A disintegrin and metalloproteinase with thrombospondin motifs 1. Chain: a, b. Fragment: residues in unp 256-548. Synonym: adamts-1. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: adamts1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

2.33Å

R-factor:

0.239

R-free:

0.297

Authors:

S.Gerhardt,D.Hargreaves

Key ref:

C.De Savi et al. (2011). The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. Bioorg Med Chem Lett, 21, 1376-1381. PubMed id: 21300546

Date:

20-Dec-10

Release date:

30-Mar-11

PROCHECK

	Headers

	References

Protein chains

Q9UHI8 (ATS1_HUMAN) - A disintegrin and metalloproteinase with thrombospondin motifs 1 from Homo sapiens

Seq: Struc:

Seq: Struc:					967 a.a. 284 a.a.*

Key:

Secondary structure

CATH domain

* PDB and UniProt seqs differ at 3 residue positions (black crosses)



		Enzyme reactions

Enzyme class:

E.C.3.4.24.- - ?????

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

	Bioorg Med Chem Lett 21:1376-1381 (2011)
PubMed id: 21300546

The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis.
C.De Savi, A.Pape, J.G.Cumming, A.Ting, P.D.Smith, J.N.Burrows, M.Mills, C.Davies, S.Lamont, D.Milne, C.Cook, P.Moore, Y.Sawyer, S.Gerhardt.

ABSTRACT

No abstract given.

Literature references that cite this PDB file's key reference

PubMed id

Reference

21536437

C.De Savi, A.Pape, Y.Sawyer, D.Milne, C.Davies, J.G.Cumming, A.Ting, S.Lamont, P.D.Smith, J.Tart, K.Page, and P.Moore (2011).
Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis.

Bioorg Med Chem Lett, 21, 3301-3306.

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.