Structure of PDB 1ay6 Chain H

Receptor sequence

>1ay6H (length=252) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF
GE

3D structure

• PDB: 1ay6 Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif
• Chain: H
• Resolution: 1.8 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 I47 S48 D49 D116 H119 V121 C122 L123 Y134 K135 R137 N159 M201 K202 R206 W207	E8 G10 M11 P13 W14 I33 S34 D35 D113 H116 V118 C119 L120 Y134 K135 R137 N157 M204 K205 R211 W212
BS02	peptide	H	F34 K36 Q38 R67 R73 T74 R75 Y76 K81 I82	F19 K21 Q24 R62 R68 T69 R70 Y71 K77 I78
BS03	1ZV	H	H57 Y60A W60D N98 I174 D189 A190 S195 S214 W215 G216 G219	H43 Y47 W50 N95 I172 D192 A193 S198 S219 W220 G221 G223

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:1ay6, PDBe:1ay6, PDBj:1ay6
• PDBsum: 1ay6
• PubMed: 8367461
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)