Structure of PDB 3f68 Chain H

Receptor sequence

>3f68H (length=249) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEQPSV
LQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPF
VMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG

3D structure

• PDB: 3f68 Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
• Chain: H
• Resolution: 1.75 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 W29 D116 H119 P120 C122 Y134 K135 R137 N159 M201 K202 R206 W207	E8 G10 M11 W14 D113 H116 P117 C119 Y134 K135 R137 N155 M202 K203 R209 W210
BS02	peptide	H	F34 Q38 E39 L40 R73 T74 Y76 I82	F19 Q24 E25 L26 R68 T69 Y71 I78
BS03	91U	H	H57 N98 A190 S195 V213 S214 W215 G216 E217 F227	H43 N95 A191 S196 V216 S217 W218 G219 E220 F230	MOAD: Ki=8.7uM PDBbind-CN: -logKd/Ki=5.06,Ki=8.7uM

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:3f68, PDBe:3f68, PDBj:3f68
• PDBsum: 3f68
• PubMed: 19520086
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)