Structure of PDB 7ci0 Chain A Binding Site BS02

Receptor Information
>7ci0 Chain A (length=309) Species: 1044 (Erythrobacter longus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPFIRPDMKAFLEAIAAMAGPTLAEMTLEEARASYVALHGMADRPARELA
VIRNLSCPGPAGDIPLRLYDARESREAGPVITFYHGGGFVIGDLDTHHNL
CTEIAALMDLPVVAVDYRLAPEHPFPAAIEDCEAATRWVASSPSELGRTA
SGVIPIGDAAGGNATIVVSQLLGAKPADVPVVLQVPIFPLASDAVGSASL
EAFAEGFVLTKASIEFFDTAYKADRADPRGFPILGDHTAAPPTIVATASL
DPIRDSGRDYAKALVEAGRDVVYLEMEGVTHSFTNIRAAVPSTQGDLERI
IAAMKMMLG
Ligand information
Ligand IDNPO
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O
FormulaC6 H5 N O3
NameP-NITROPHENOL
ChEMBLCHEMBL14130
DrugBankDB04417
ZINCZINC000034828682
PDB chain7ci0 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ci0 Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus .
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F92 A163 D221 Y224 F234
Binding residue
(residue number reindexed from 1)		F89 A160 D218 Y221 F231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:7ci0, PDBe:7ci0, PDBj:7ci0
PDBsum7ci0
PubMed35069500
UniProtA0A074MDU6

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