Structure of PDB 1a46 Chain H

Receptor sequence

>1a46H (length=250) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG

3D structure

• PDB: 1a46 Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
• Chain: H
• Resolution: 2.12 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 I24 G25 M26 P28 D116 H119 C122 Y134 K135 R137 N159 M201 K202 R206 W207	E8 I9 G10 M11 P13 D113 H116 C119 Y134 K135 R137 N156 M203 K204 R210 W211
BS02	peptide	H	F34 K36 Q38 R73 T74 R75 Y76 K81 I82	F19 K21 Q24 R68 T69 R70 Y71 K77 I78
BS03	00K	H	H57 Y60A W60D L99 E192 G193 S195 W215 G216 G219	H43 Y47 W50 L96 E194 G195 S197 W219 G220 G222	PDBbind-CN: -logKd/Ki=5.70,Ki=2000nM

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:1a46, PDBe:1a46, PDBj:1a46
• PDBsum: 1a46
• PubMed: 10212123
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)