Structure of PDB 5uwl Chain A

Receptor sequence

>5uwlA (length=160) Species: 9606 (Homo sapiens)

TLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDG
IADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTS
SSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDV
QGIQSLYGPG

3D structure

• PDB: 5uwl Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
• Chain: A
• Resolution: 2.55 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H222 E223 H226 H232
• Catalytic site (residue number reindexed from 1): H113 E114 H117 H123
• 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	ZN	A	H222 H226 H232	H113 H117 H123
BS02	ZN	A	H172 D174 H187 H200	H63 D65 H78 H91
BS03	CA	A	D179 G180 S182 L184 D202 E205	D70 G71 S73 L75 D93 E96
BS04	CA	A	D128 D203 E205	D19 D94 E96
BS05	CA	A	D162 N194 G196 D198	D53 N85 G87 D89
BS06	8OJ	A	G183 L184 L185 Y214 L218 H222 E223 L239 F241 P242 I243 Y244 T245 T247 P255	G74 L75 L76 Y105 L109 H113 E114 L130 F132 P133 I134 Y135 T136 T138 P146	PDBbind-CN: -logKd/Ki=8.03,IC50=9.4nM BindingDB: IC50=9.4nM

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