Structure of PDB 5tjx Chain A

Receptor sequence
>5tjxA (length=231) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGTESSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLP
LQDVWRIYSGILELSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQ
APLEYTEFQKPISLPSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTN
EECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGI
TSWGEGCARREQPGVYTKVAEYMDWILEKTQ
3D structure
PDB5tjx Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ChainA
Resolution1.408 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H434 D483 K575 G576 D577 S578 G579
Catalytic site (residue number reindexed from 1) H44 D93 K180 G181 D182 S183 G184
Enzyme Commision number 3.4.21.34: plasma kallikrein.
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 GBT A H434 S478 E479 G480 Y555 M561 A573 C574 S578 S597 W598 G599 G601 C602 H44 S88 E89 G90 Y160 M166 A178 C179 S183 S202 W203 G204 G206 C207 PDBbind-CN: -logKd/Ki=6.82,IC50=153nM
BindingDB: IC50=4.8nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:5tjx, PDBe:5tjx, PDBj:5tjx
PDBsum5tjx
PubMed28197309
UniProtP03952|KLKB1_HUMAN Plasma kallikrein (Gene Name=KLKB1)

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