Structure of PDB 1t4v Chain H

Receptor sequence

>1t4vH (length=249) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF

3D structure

• PDB: 1t4v Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis
• Chain: H
• Resolution: 2.0 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	E44 M47 P49 W50 D149 H152 P153 C155 Y170 K171 R173 N194 M241 K242 P244 R248 W249	E8 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137 N156 M203 K204 P206 R210 W211
BS02	peptide	H	F55 Q60 R98 R104 T105 Y107 I114 M116	F19 Q24 R62 R68 T69 Y71 I78 M80
BS03	14A	H	H79 Y83 W86 I209 D229 A230 C231 S235 W257 G258 E259	H43 Y47 W50 I171 D191 A192 C193 S197 W219 G220 E221	MOAD: Ki=0.021uM PDBbind-CN: -logKd/Ki=7.68,Ki=0.021uM BindingDB: Ki=21nM

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:1t4v, PDBe:1t4v, PDBj:1t4v
• PDBsum: 1t4v
• PubMed: 15203151
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)