Structure of PDB 43ca Chain E Binding Site BS01

Receptor Information

>43ca Chain E (length=113) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DVVMTQTPSSLAMSVGQKVTMSCKSSQSLLNISNQKNYLAWYQQKPGQSP
KLLVYFASTRESGVPDRFIGSGSGTDFTLTISSVQAEDQADYFCQQHYRA
PRTFGGGTKLEIK

Ligand information

InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

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

ZINC000034828682

PDB chain

43ca Chain E Residue 923 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

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 F50 H91
Binding residue (residue number reindexed from 1)	Y38 L39 A40 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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