Structure of PDB 8k5w Chain B

Receptor sequence

>8k5wB (length=216) Species: 9606 (Homo sapiens)

TDRQLAEEYLYRYGYTLGPALLLLQKQLSLPETGELDSATLKAMRTPRCG
VPDLGTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTP
LTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAH
FDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEG
PPLHKDDVNGIRHLYG

3D structure

• PDB: 8k5w Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
• Chain: B
• 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	B	C99 H226 H230 H236	C49 H173 H177 H183
BS02	ZN	B	H175 D177 H190 H203	H122 D124 H137 H150
BS03	CA	B	D182 G183 D185 L187 D205 E208	D129 G130 D132 L134 D152 E155
BS04	CA	B	D131 D206 E208	D78 D153 E155
BS05	CA	B	D165 G197 Q199 D201	D112 G144 Q146 D148
BS06	VOO	B	V101 P102 D103 F110 Y179 H190 A191 F192 P193 H230 G233 L234 D235	V51 P52 D53 F57 Y126 H137 A138 F139 P140 H177 G180 L181 D182
BS07	2HP	B	T157 R158	T104 R105

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)