Structure of PDB 3po1 Chain B

Receptor sequence
>3po1B (length=147) Species: 9606 (Homo sapiens) [Search protein sequence]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKET
3D structure
PDB3po1 Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.
ChainB
Resolution1.65 Å
3D
structure
Catalytic site residues are labeled in the structure
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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.
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 E44 G46 M47 P49 W50 D149 H152 P153 C155 Y170 K171 R173 E8 G10 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137
BS02 peptide B F55 L62 L96 R104 T105 R106 Y107 K113 I114 F19 L26 L60 R68 T69 R70 Y71 K77 I78
BS03 MKY B H79 Y83 W86 L132 H43 Y47 W50 L96 PDBbind-CN: -logKd/Ki=4.02,Kd=95uM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005509 calcium ion binding
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3po1, PDBe:3po1, PDBj:3po1
PDBsum3po1
PubMed22726924
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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