Structure of PDB 2pks Chain B Binding Site BS01

Receptor Information
>2pks Chain B (length=147) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKET
Ligand information
>2pks Chain A (length=27) Species: 9606 (Homo sapiens) [Search peptide sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
ADCGLRPLFEKKSLEDKTERELLESYI
Receptor-Ligand Complex Structure
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PDB2pks Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E44 I45 G46 M47 P49 W50 D149 H152 P153 V154 C155 L165 Y170 K171 R173
Binding residue
(residue number reindexed from 1)		E8 I9 G10 M11 P13 W14 D113 H116 P117 V118 C119 L129 Y134 K135 R137
Enzymatic activity
Catalytic site (original residue number in PDB) H79 D135
Catalytic site (residue number reindexed from 1) H43 D99
Enzyme Commision number 3.4.21.5: thrombin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005509 calcium ion binding
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation

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Molecular Function
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Biological Process
External links
PDB RCSB:2pks, PDBe:2pks, PDBj:2pks
PDBsum2pks
PubMed18019535
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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