Structure of PDB 8h78 Chain A

Receptor sequence

>8h78A (length=168) Species: 9606 (Homo sapiens)

MYNFFPRKPKWDKNQITYRIIGYTPDLAPETVDDAFARAFQVWSDVTPLR
FSRIYDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFD
DDELWTLGKGVGYSLFLVAAHAFGHAMGLEHSQDPGALMAPIYTYTKNFR
LSQDDIKGIQELYGASPD

3D structure

• PDB: 8h78 Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold.
• Chain: A
• Resolution: 2.4 Å

Enzymatic activity

• Enzyme Commision number: 3.4.24.24: gelatinase A.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	A	H121 H125 H131	H121 H125 H131
BS02	ZN	A	H70 D72 H85 H98	H70 D72 H85 H98
BS03	CA	A	D77 G78 D80 L82 D100 E103	D77 G78 D80 L82 D100 E103
BS04	CA	A	D60 G92 V93 G94 D96	D60 G92 V93 G94 D96
BS05	CA	A	D26 D101 E103	D26 D101 E103
BS06	L2U	A	F5 Y74 A84 H85 A86 F87 G90 V118 H121 H125 E130 H131 A137 L138 P141 I142 Y143 T144	F5 Y74 A84 H85 A86 F87 G90 V118 H121 H125 E130 H131 A137 L138 P141 I142 Y143 T144

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0031012 extracellular matrix

External links

• PDB: RCSB:8h78, PDBe:8h78, PDBj:8h78
• PDBsum: 8h78
• PubMed: 36595440
• UniProt: P08253|MMP2_HUMAN 72 kDa type IV collagenase (Gene Name=MMP2)