Structure of PDB 5v2o Chain E Binding Site BS01
Receptor Information
>5v2o Chain E (length=60) Species:
32630
(synthetic construct) [
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GGDLANEIARCTKLLNALNSGGDLANEIARCTKLLNALNSGGDLANEIAR
CTKLLNALNS
Ligand information
Ligand ID
TMM
InChI
InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey
QMKYBPDZANOJGF-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0
c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O
ACDLabs 10.04
O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O
Formula
C9 H6 O6
Name
1,3,5-BENZENETRICARBOXYLIC ACID
ChEMBL
CHEMBL77562
DrugBank
DB08632
ZINC
ZINC000000391981
PDB chain
5v2o Chain E Residue 103 [
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Receptor-Ligand Complex Structure
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PDB
5v2o
De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Resolution
1.2 Å
Binding residue
(original residue number in PDB)
A9 C11 C31 C51 T52 L55
Binding residue
(residue number reindexed from 1)
A9 C11 C31 C51 T52 L55
Annotation score
1
External links
PDB
RCSB:5v2o
,
PDBe:5v2o
,
PDBj:5v2o
PDBsum
5v2o
PubMed
28973862
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