Structure of PDB 3si4 Chain H

Receptor sequence

>3si4H (length=251) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF
G

3D structure

• PDB: 3si4 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
• Chain: H
• Resolution: 1.27 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 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 N157 M204 K205 N210 R211 W212
BS02	peptide	H	F34 L40 L65 R73 T74 R75 Y76 K81 I82	F19 L26 L60 R68 T69 R70 Y71 K77 I78
BS03	B04	H	Y60A W60D N98 V213 S214 W215 G216	Y47 W50 N95 V218 S219 W220 G221	MOAD: Ki=132.2uM PDBbind-CN: -logKd/Ki=3.88,Ki=132.2uM

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:3si4, PDBe:3si4, PDBj:3si4
• PDBsum: 3si4
• PubMed: 22366545
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)