Structure of PDB 5uwm Chain B

Receptor sequence

>5uwmB (length=154) Species: 9606 (Homo sapiens)

LKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGI
ADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSS
SKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYFMLPDDDVQGIQSL
YGPG

3D structure

• PDB: 5uwm Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
• Chain: B
• 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	B	Y176 A186 H187 A188 F189 H222 E223 H226 H232	Y66 A76 H77 A78 F79 H112 E113 H116 H122
BS02	8OA	B	F241 P242	F131 P132	MOAD: ic50=356nM BindingDB: IC50=356nM
BS03	ZN	B	H222 H226 H232	H112 H116 H122
BS04	ZN	B	H172 D174 H187 H200	H62 D64 H77 H90
BS05	CA	B	D179 G180 S182 L184 D202 E205	D69 G70 S72 L74 D92 E95
BS06	CA	B	D128 D203 E205	D18 D93 E95
BS07	CA	B	D162 N194 G196 D198	D52 N84 G86 D88
BS08	8OA	B	L184 L185 H222 E223 L239 F241 P242 I243 Y244 T245	L74 L75 H112 E113 L129 F131 P132 I133 Y134 T135	MOAD: 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)