Structure of PDB 5qtu Chain A

Receptor sequence
>5qtuA (length=238) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVE
SPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLE
TTVGYGDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKI
PLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW
HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
3D structure
PDB5qtu Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
ChainA
Resolution2.53 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 N49 C122 S125 Q243 N36 C113 S116 Q236
BS02 QEV A R39 H40 L41 I151 D189 A190 C191 K192 G193 S195 T213 W215 G218 G226 V227 Y228 R26 H27 L28 I141 D182 A183 C184 K185 G186 S188 T206 W208 G211 G219 V220 Y221 PDBbind-CN: -logKd/Ki=8.39,Ki=4.1nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5qtu, PDBe:5qtu, PDBj:5qtu
PDBsum5qtu
PubMed31833761
UniProtP03951|FA11_HUMAN Coagulation factor XI (Gene Name=F11)

[Back to BioLiP]