Structure of PDB 2bvx Chain H

Receptor sequence

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

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETKGQ
PSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSG
GPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ
F

3D structure

• PDB: 2bvx Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
• Chain: H
• Resolution: 3.2 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	F34 R73 T74 R75 Y76 K81 I82 Q244 F245	F19 R68 T69 R70 Y71 K77 I78 Q250 F251
BS02	peptide	H	E23 G25 M26 W29 D116 H119 P120 C122 Y134 K135 G136 R137 N159 K202 R206 W207	E8 G10 M11 W14 D113 H116 P117 C119 Y134 K135 G136 R137 N158 K206 R212 W213
BS03	5CB	H	H57 Y60A W60D N98 L99 I174 A190 C191 E192 V213 S214 W215 G216 F227	H43 Y47 W50 N95 L96 I173 A194 C195 E196 V219 S220 W221 G222 F233	PDBbind-CN: -logKd/Ki=8.70,Ki=2nM

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