Structure of PDB 5q0h Chain A

Receptor sequence
>5q0hA (length=238) Species: 9606 (Homo sapiens) [Search protein sequence]
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVE
SPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLE
TTVGYGDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKI
PLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW
HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
3D structure
PDB5q0h Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
ChainA
Resolution2.5 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 9F1 A R39 H40 L41 H57 I151 C191 K192 G193 S195 S214 W215 G216 R26 H27 L28 H44 I141 C184 K185 G186 S188 S207 W208 G209 MOAD: Ki=12nM
PDBbind-CN: -logKd/Ki=7.92,Ki=12nM
BindingDB: Ki=12nM
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function

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Biological Process
External links
PDB RCSB:5q0h, PDBe:5q0h, PDBj:5q0h
PDBsum5q0h
PubMed28687203
UniProtP03951|FA11_HUMAN Coagulation factor XI (Gene Name=F11)

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