Structure of PDB 43ca Chain G Binding Site BS01
Receptor Information
>43ca Chain G (length=113) Species:
10090
(Mus musculus) [
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DVVMTQTPSSLAMSVGQKVTMSCKSSQSLLNISNQKNYLAWYQQKPGQSP
KLLVYFASTRESGVPDRFIGSGSGTDFTLTISSVQAEDQADYFCQQHYRA
PRTFGGGTKLEIK
Ligand information
Ligand ID
NPO
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKey
BTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04
O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0
c1cc(ccc1[N+](=O)[O-])O
Formula
C6 H5 N O3
Name
P-NITROPHENOL
ChEMBL
CHEMBL14130
DrugBank
DB04417
ZINC
ZINC000034828682
PDB chain
43ca Chain G Residue 924 [
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Receptor-Ligand Complex Structure
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PDB
43ca
Structural basis for amide hydrolysis catalyzed by the 43C9 antibody.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
Y32 L33 A34 Y49 F50 H91
Binding residue
(residue number reindexed from 1)
Y38 L39 A40 Y55 F56 H97
Annotation score
1
Binding affinity
MOAD
: Kd<1uM
External links
PDB
RCSB:43ca
,
PDBe:43ca
,
PDBj:43ca
PDBsum
43ca
PubMed
10438624
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