Structure of PDB 5uwm Chain A

Receptor sequence

>5uwmA (length=155) Species: 9606 (Homo sapiens)

LKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGI
ADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSS
SKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTHFMLPDDDVQGIQ
SLYGP

3D structure

• PDB: 5uwm Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
• Chain: A
• Resolution: 1.62 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H222 E223 H226 H232
• Catalytic site (residue number reindexed from 1): H112 E113 H116 H122
• Enzyme Commision number: 3.4.24.-

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	peptide	A	Y176 A186 H187 A188 F189 P190 H222 E223 H226 H232	Y66 A76 H77 A78 F79 P80 H112 E113 H116 H122
BS02	ZN	A	H222 H226 H232	H112 H116 H122
BS03	ZN	A	H172 D174 H187 H200	H62 D64 H77 H90
BS04	CA	A	D179 G180 S182 L184 D202 E205	D69 G70 S72 L74 D92 E95
BS05	CA	A	D128 D203 E205	D18 D93 E95
BS06	CA	A	D162 N194 Y195 G196 D198	D52 N84 Y85 G86 D88
BS07	8OA	A	G183 L184 L185 H222 E223 L239 F241 P242 I243 Y244 T245 T247 F252 P255	G73 L74 L75 H112 E113 L129 F131 P132 I133 Y134 T135 T137 F139 P142	MOAD: ic50=356nM PDBbind-CN: -logKd/Ki=6.45,IC50=356nM BindingDB: IC50=356nM

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:5uwm, PDBe:5uwm, PDBj:5uwm
• PDBsum: 5uwm
• PubMed: 28653849
• UniProt: P45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)