Structure of PDB 1a61 Chain H

Receptor sequence

>1a61H (length=250) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKEGQPS
VLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG

3D structure

• PDB: 1a61 Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
• Chain: H
• Resolution: 2.2 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 R206 W207	E8 G10 M11 P13 W14 D113 H116 P117 C119 Y134 K135 R137 N156 M203 K204 R210 W211
BS02	peptide	H	F34 K36 L65 T74 Y76 I82 M84	F19 K21 L60 T69 Y71 I78 M80
BS03	00N	H	H57 Y60A W60D D189 G193 D194 S195 W215 G216	H43 Y47 W50 D191 G195 D196 S197 W219 G220	PDBbind-CN: -logKd/Ki=8.62,Ki=2.4nM

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:1a61, PDBe:1a61, PDBj:1a61
• PDBsum: 1a61
• PubMed: 10212123
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)