Structure of PDB 5qqo Chain A

Receptor sequence
>5qqoA (length=238) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVE
SPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLE
TTVGYGDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKI
PLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW
HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
3D structure
PDB5qqo Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
ChainA
Resolution2.0 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 peptide A I47 N49 C122 L123 L239 Q243 I34 N36 C113 L114 L232 Q236
BS02 NRJ A H40 L41 H57 I151 D189 A190 C191 K192 G193 S195 T213 W215 G226 V227 Y228 H27 L28 H44 I141 D182 A183 C184 K185 G186 S188 T206 W208 G219 V220 Y221 MOAD: Ki=17nM
PDBbind-CN: -logKd/Ki=7.77,Ki=17nM
BindingDB: Ki=17nM
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:5qqo, PDBe:5qqo, PDBj:5qqo
PDBsum5qqo
PubMed31445854
UniProtP03951|FA11_HUMAN Coagulation factor XI (Gene Name=F11)

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