Structure of PDB 3kl6 Chain A

Receptor sequence
>3kl6A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRF
KVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITF
RMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPY
VDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVT
GIVSWGEGCARKGKYGIYTKVTAFLKWIDRSM
3D structure
PDB3kl6 Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.
ChainA
Resolution1.45 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H42 D88 Q182 G183 D184 S185 G186
Enzyme Commision number 3.4.21.6: coagulation factor Xa.
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 443 A E97 T98 F174 D189 A190 Q192 S195 V213 S214 W215 G216 G219 C220 G226 I227 Y228 E83 T84 F162 D179 A180 Q182 S185 V203 S204 W205 G206 G208 C209 G216 I217 Y218 MOAD: ic50=3.5nM
PDBbind-CN: -logKd/Ki=8.46,IC50=3.5nM
BindingDB: IC50=3.5nM,Ki=1.8nM
BS02 CA A E124 D126 E111 D113
BS03 CA A Y185 D185A R222 K224 Y173 D174 R211 K214
BS04 CA A D70 N72 Q75 E77 E80 D56 N58 Q61 E63 E66
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3kl6, PDBe:3kl6, PDBj:3kl6
PDBsum3kl6
PubMed20355714
UniProtP00742|FA10_HUMAN Coagulation factor X (Gene Name=F10)

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