Brand  (β version)

PDB ID: 4H1Q

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
CA Calcium ion PoSSuM
0XX N-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide PoSSuM
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Structure summary

Code : 4H1Q   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE inhibitor
Title : Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
Release Data : 2013-04-24
Compound :
mol_id molecule chains synonym
1 Matrix metalloproteinase-9 A,B MMP-9, 92 kDa gelatinase, 92 kDa type IV collagenase, Gelatinase B, GELB, 67 kDa matrix metalloproteinase-9, 82 kDa matrix metalloproteinase-9
ec: 3.4.24.35
fragment: unp residues 110-214
mutation: E402Q
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: CLG4B, MMP9
expression_system_strain: BL21 (DE3 star)
expression_system_vector_type: PT7 promoter
expression_system_plasmid: pET-14b
Authors : Stura, E.A., Vera, L., Cassar-Lajeunesse, E., Nuti, E., Catalani, M.P., Dive, V., Rossello, A.
Keywords : HYDROLASE/TWIN INHIBITOR, Zincin-like, Gelatinase, Collagenase (Catalytic Domain), HYDROLASE-HYDROLASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.59 Å )
Citation :

Crystallization of bi-functional ligand protein complexes.

Antoni, C.,Vera, L.,Devel, L.  et al.
(2013)  J.Struct.Biol.  182 : 246 - 254

PubMed: 23567804
DOI: 10.1016/j.jsb.2013.03.015

Reaction

Chain : A, B
UniProt : P14780 (MMP9_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Cleavage of gelatin types I and V and collagen types IV and V. 3.4.24.35 PubMed:1480034
-
Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:12051944
Binds 2 Zn(2+) ions per subunit.
Ca(2+) ECO:0000269 | PubMed:12051944
Binds 3 Ca(2+) ions per subunit.