Structure of PDB 1riw Chain B

Receptor sequence
>1riwB (length=147) Species: 9606 (Homo sapiens) [Search protein sequence]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKET
3D structure
PDB1riw The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin
ChainB
Resolution2.04 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 G172 R173 E8 G10 M11 P13 W14 D113 H116 P117 C119 Y134 K135 G136 R137
BS02 peptide B F55 K57 Q60 L62 L96 R104 T105 R106 Y107 K113 I114 M116 F19 K21 Q24 L26 L60 R68 T69 R70 Y71 K77 I78 M80
BS03 OSC B H79 Y83 W86 L132 E182 H43 Y47 W50 L96 E146 PDBbind-CN: -logKd/Ki=7.55,IC50=28nM
BindingDB: IC50=28nM
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:1riw, PDBe:1riw, PDBj:1riw
PDBsum1riw
PubMed15137772
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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