Structure of PDB 1ad8 Chain H

Receptor sequence

>1ad8H (length=250) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF

3D structure

• PDB: 1ad8 Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
• 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	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 N157 M204 K205 R211 W212
BS02	peptide	H	F34 Q38 L40 L65 R73 T74 R75A Y76 K81 I82	F19 Q24 L26 L60 R68 T69 R70 Y71 K77 I78
BS03	MDL	H	H57 Y60A I174 A190 C191 E192 G193 S195 W215 G216 G226	H43 Y47 I172 A193 C194 E195 G196 S198 W220 G221 G231	PDBbind-CN: -logKd/Ki=6.60,Ki=0.25uM

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:1ad8, PDBe:1ad8, PDBj:1ad8
• PDBsum: 1ad8
• PubMed: 9033393
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)