Structure of PDB 5q0f Chain A

Receptor sequence
>5q0fA (length=238) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVE
SPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLE
TTVGYGDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKI
PLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW
HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
3D structure
PDB5q0f Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
ChainA
Resolution2.12 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 C122 L239 Q243 I34 C113 L232 Q236
BS02 9FA A H40 L41 H57 L147 I151 D189 A190 C191 K192 G193 S195 T213 W215 G216 G218 C219 G226 V227 H27 L28 H44 L137 I141 D182 A183 C184 K185 G186 S188 T206 W208 G209 G211 C212 G219 V220 MOAD: Ki=0.13nM
PDBbind-CN: -logKd/Ki=9.89,Ki=0.13nM
BindingDB: Ki=0.130000nM
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:5q0f, PDBe:5q0f, PDBj:5q0f
PDBsum5q0f
PubMed28687203
UniProtP03951|FA11_HUMAN Coagulation factor XI (Gene Name=F11)

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