Structure of PDB 8h78 Chain B

Receptor sequence

>8h78B (length=167) Species: 9606 (Homo sapiens)

YNFFPRKPKWDKNQITYRIIGYTPDLAPETVDDAFARAFQVWSDVTPLRF
SRIYDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDD
DELWTLGKGVGYSLFLVAAHAFGHAMGLEHSQDPGALMAPIYTYTKNFRL
SQDDIKGIQELYGASPD

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: B
• 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	B	H121 H125 H131	H120 H124 H130
BS02	ZN	B	H70 D72 H85 H98	H69 D71 H84 H97
BS03	CA	B	D77 G78 D80 L82 D100 E103	D76 G77 D79 L81 D99 E102
BS04	CA	B	D60 G92 G94 D96	D59 G91 G93 D95
BS05	CA	B	D26 D101 E103	D25 D100 E102
BS06	L2U	B	F5 P6 Y74 A84 H85 A86 F87 H121 H125 E130 H131 L138 P141 I142 Y143	F4 P5 Y73 A83 H84 A85 F86 H120 H124 E129 H130 L137 P140 I141 Y142

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)