Structure of PDB 2jh6 Chain D

Receptor sequence

>2jh6D (length=251) Species: 9606 (Homo sapiens)

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW
DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI
ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQP
SVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGG
PFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF
G

3D structure

• PDB: 2jh6 Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
• Chain: D
• Resolution: 2.21 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	D	E23 G25 M26 P28 W29 H119 P120 C122 Q131 Y134 K135 R137 N159 M201 K202 N205 R206 W207	E8 G10 M11 P13 W14 H116 P117 C119 Q131 Y134 K135 R137 N157 M204 K205 N210 R211 W212
BS02	peptide	D	F34 L40 L65 R67 R73 T74 R75 Y76 K81 I82	F19 L26 L60 R62 R68 T69 R70 Y71 K77 I78
BS03	CA	D	K169 T172	K167 T170
BS04	894	D	H57 Y60A W60D L99 D189 A190 E192 V213 W215 G216 G219 C220 G226 F227	H43 Y47 W50 L96 D192 A193 E195 V218 W220 G221 G223 C224 G231 F232	MOAD: Ki=17nM PDBbind-CN: -logKd/Ki=7.77,Ki=17nM BindingDB: Ki=17nM

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:2jh6, PDBe:2jh6, PDBj:2jh6
• PDBsum: 2jh6
• PubMed: 17336062
• UniProt: P00734|THRB_HUMAN Prothrombin (Gene Name=F2)