Structure of PDB 2bxt Chain H

Receptor sequence

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

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETKGQ
PSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSG
GPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ
F

3D structure

• PDB: 2bxt Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
• Chain: H
• Resolution: 1.83 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 L65 R73 T74 Y76 K81 I82 F245	Q24 L26 L60 R68 T69 Y71 K77 I78 F251
BS02	peptide	H	E23 G25 M26 P28 W29 D116 H119 P120 C122 Y134 K135 R137 N159 M201 K202 N205 R206 W207	E8 G10 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137 N158 M205 K206 N211 R212 W213
BS03	C2D	H	H57 Y60A E97A N98 L99 Y134 I174 D189 A190 E192 S195 S214 W215 G216 E217 G219 G226 F227	H43 Y47 E94 N95 L96 Y134 I173 D193 A194 E196 S199 S220 W221 G222 E223 G224 G232 F233	PDBbind-CN: -logKd/Ki=8.52,Ki=3nM

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