Structure of PDB 8k5w Chain A

Receptor sequence

>8k5wA (length=229) Species: 9606 (Homo sapiens)

NLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELD
SATLKAMRTPRCGVPDLGTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDA
FARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAH
AFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHSSVP
EALMYPMYRFTEGPPLHKDDVNGIRHLYG

3D structure

• PDB: 8k5w Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
• Chain: A
• Resolution: 2.0 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 H186 H190 H196
BS02	ZN	A	H175 D177 H190 H203	H135 D137 H150 H163
BS03	CA	A	D182 G183 D185 L187 D205 E208	D142 G143 D145 L147 D165 E168
BS04	CA	A	D131 D206 E208	D91 D166 E168
BS05	CA	A	D165 G197 Q199 D201	D125 G157 Q159 D161
BS06	VOO	A	V101 P102 D103 F110 H190 A191 F192 P193 H230 G233 L234 D235	V64 P65 D66 F70 H150 A151 F152 P153 H190 G193 L194 D195

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:8k5w, PDBe:8k5w, PDBj:8k5w
• PDBsum: 8k5w
• PubMed: 37952596
• UniProt: P14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)