Structure of PDB 8k5y Chain A

Receptor sequence

>8k5yA (length=232) Species: 9606 (Homo sapiens)

NLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELD
SATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVI
DDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGL
LAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHS
SVPEALMYPMYRFTEGPPLHKDDVNGIRHLYG

3D structure

• PDB: 8k5y Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
• Chain: A
• Resolution: 1.52 Å

Enzymatic activity

• Enzyme Commision number: 3.4.24.35: gelatinase B.

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	C99 H226 H230 H236	C62 H189 H193 H199
BS02	ZN	A	H175 D177 H190 H203	H138 D140 H153 H166
BS03	CA	A	D182 G183 D185 L187 D205 E208	D145 G146 D148 L150 D168 E171
BS04	CA	A	D131 D206 E208	D94 D169 E171
BS05	CA	A	D165 G197 Q199 D201	D128 G160 Q162 D164
BS06	VP6	A	P102 R106 F107 Q108 F110 Y179 A191 F192 P193 G233 D235	P65 R69 F70 Q71 F73 Y142 A154 F155 P156 G196 D198
BS07	2HP	A	D87 S88	D50 S51

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:8k5y, PDBe:8k5y, PDBj:8k5y
• PDBsum: 8k5y
• PubMed: 37952596
• UniProt: P14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)