Structure of PDB 4na8 Chain A

Receptor sequence
>4na8A (length=238) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVE
SPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLE
TTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKI
PLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW
HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
3D structure
PDB4na8 Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
ChainA
Resolution2.3 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 K192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H44 D93 K185 G186 D187 S188 G189
Enzyme Commision number 3.4.21.27: coagulation factor XIa.
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 1T6 A R39 L41 H57 D189 A190 K192 G193 S195 S214 W215 G216 G218 C219 R26 L28 H44 D182 A183 K185 G186 S188 S207 W208 G209 G211 C212 MOAD: Ki=1.5nM
PDBbind-CN: -logKd/Ki=8.82,Ki=1.50nM
BindingDB: Ki=1.5nM
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:4na8, PDBe:4na8, PDBj:4na8
PDBsum4na8
PubMed24405333
UniProtP03951|FA11_HUMAN Coagulation factor XI (Gene Name=F11)

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