Structure of PDB 2bxu Chain H

Receptor sequence

>2bxuH (length=251) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETKGQ
PSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSG
GPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ
F

3D structure

• PDB: 2bxu Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
• Chain: H
• Resolution: 2.8 Å

Enzymatic activity

• 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	H	Q38 L40 R67 R73 T74 R75 Y76 K81 I82 F245	Q24 L26 R62 R68 T69 R70 Y71 K77 I78 F251
BS02	peptide	H	E23 M26 P28 W29 D116 H119 P120 V121 C122 Y134 K135 G136 R137 N159 M201 K202 P204 R206 W207	E8 M11 P13 W14 D113 H116 P117 V118 C119 Y134 K135 G136 R137 N158 M205 K206 P208 R212 W213
BS03	C1D	H	H57 Y60A W60D N98 Y134 D189 A190 E192 S195 W215 G216	H43 Y47 W50 N95 Y134 D193 A194 E196 S199 W221 G222	PDBbind-CN: -logKd/Ki=7.15,Ki=70nM

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0005509 calcium ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0007596 blood coagulation

External links

• PDB: RCSB:2bxu, PDBe:2bxu, PDBj:2bxu
• PDBsum: 2bxu
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)