Het-PDB Navi2 (PDB: 1ZTQ)

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Ligands
Code	Name	Link
ZN	Zinc ion	PoSSuM
CA	Calcium ion	PoSSuM
033	N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-L-valine	PoSSuM

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Download interaction data: 1ZTQ

Code :

1ZTQ PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033

Release Data :

2006-05-30

Compound :

mol_id	molecule	chains	synonym
1	Collagenase 3	A,B,C,D	Matrix metalloproteinase-13, MMP-13
	ec: 3.4.24.- fragment: MMP-13 CATALYTIC DOMAIN

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli BL21(DE3) (taxid:469008)
	gene: MMP13 expression_system_strain: BL21(DE3) expression_system_vector_type: PLASMID expression_system_plasmid: PET21A

Authors :

Wu, J., Rush III, T.S., Hotchandani, R., Du, X., Geck, M., Collins, E., Xu, Z.B., Skotnicki, J., Levin, J.I., Lovering, F.

Keywords :

MMPs, METALLOPROTEASE, HYDROLASE, MMP-13, COLLAGENASE, ZINC CHELATOR, hydroxamate, hydrophobic S1', P1' group

Exp. method :

X-RAY DIFFRACTION ( 2.00 Å )

Citation :

Identification of potent and selective MMP-13 inhibitors

Wu, J.,Rush III, T.S.,Hotchandani, R. et al.
(2005) Bioorg.Med.Chem.Lett. 15 : 4105 - 4109

Chain :

A, B, C, D

UniProt :

P45452 (MMP13_HUMAN)

Cofactor:	Evidence:	Note:
Reaction :	-
Ca(2+)	ECO:0000269 \| PubMed:10074939 ECO:0000269 \| PubMed:10926524 ECO:0000269 \| PubMed:10986126 ECO:0000269 \| PubMed:15734645 ECO:0000269 \| PubMed:15780611 ECO:0000269 \| PubMed:17196980 ECO:0000269 \| PubMed:17623656 ECO:0000269 \| PubMed:19422229 ECO:0000269 \| PubMed:20005097 ECO:0000269 \| PubMed:20726512 ECO:0000269 \| PubMed:22689580 ECO:0000269 \| PubMed:23810497 ECO:0000269 \| PubMed:23913860 ECO:0000269 \| PubMed:8969305	Can bind about 5 Ca(2+) ions per subunit.
Zn(2+)	ECO:0000269 \| PubMed:10074939 ECO:0000269 \| PubMed:10926524 ECO:0000269 \| PubMed:10986126 ECO:0000269 \| PubMed:15734645 ECO:0000269 \| PubMed:15780611 ECO:0000269 \| PubMed:17196980 ECO:0000269 \| PubMed:17623656 ECO:0000269 \| PubMed:19422229 ECO:0000269 \| PubMed:20005097 ECO:0000269 \| PubMed:20726512 ECO:0000269 \| PubMed:22689580 ECO:0000269 \| PubMed:23810497 ECO:0000269 \| PubMed:23913860	Binds 2 Zn(2+) ions per subunit.

PDB ID: 1ZTQ