Structure of PDB 1mu8 Chain B Binding Site BS01

Receptor Information
>1mu8 Chain B (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG
Ligand information
>1mu8 Chain A (length=26) Species: 9606 (Homo sapiens) [Search peptide sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
DCGLRPLFEKKSLEDKTERELLESYI
Receptor-Ligand Complex Structure
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PDB1mu8 Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E23 G25 M26 P28 W29 H119 P120 C122 Y134 K135 R137 N159 M201 K202 R206 W207
Binding residue
(residue number reindexed from 1)		E8 G10 M11 P13 W14 H116 P117 C119 Y134 K135 R137 N156 M203 K204 R210 W211
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 E192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H43 D99 E194 G195 D196 S197 G198
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:1mu8, PDBe:1mu8, PDBj:1mu8
PDBsum1mu8
PubMed12570369
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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