Structure of PDB 2feq Chain H

Receptor sequence

>2feqH (length=250) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF

3D structure

• PDB: 2feq Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
• Chain: H
• Resolution: 2.44 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	E23 G25 M26 P28 W29 H119 P120 V121 C122 Y134 K135 R137 N159 K202 R206 W207	E8 G10 M11 P13 W14 H116 P117 V118 C119 Y134 K135 R137 N157 K205 R211 W212
BS02	peptide	H	F34 Q38 L40 R73 T74 R75 Y76 K81 I82	F19 Q24 L26 R68 T69 R70 Y71 K77 I78
BS03	34P	H	D189 A190 S195 S214 W215 G216 E217 G219	D192 A193 S198 S219 W220 G221 E222 G223	MOAD: ic50=1.39nM PDBbind-CN: -logKd/Ki=8.86,IC50=1.39nM

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:2feq, PDBe:2feq, PDBj:2feq
• PDBsum: 2feq
• PubMed: 16517159
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)