Structure of PDB 1gj4 Chain H

Receptor sequence

>1gj4H (length=251) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF
G

3D structure

• PDB: 1gj4 Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
• Chain: H
• Resolution: 1.81 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 V121 C122 Y134 K135 R137 N159 M201 K202 P204 R206 W207	E8 G10 M11 P13 W14 D113 H116 P117 V118 C119 Y134 K135 R137 N157 M204 K205 P207 R211 W212
BS02	peptide	H	F34 L65 R73 T74 R75 Y76 K81 I82 M84	F19 L60 R68 T69 R70 Y71 K77 I78 M80
BS03	132	H	H57 W60D K60F D189 A190 E192 S195 V213 W215 G219	H43 W50 K52 D192 A193 E195 S198 V218 W220 G223	PDBbind-CN: -logKd/Ki=4.07,Ki=85uM BindingDB: Ki=60000nM

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:1gj4, PDBe:1gj4, PDBj:1gj4
• PDBsum: 1gj4
• PubMed: 11731301
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)