Structure of PDB 7ci0 Chain A Binding Site BS04

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 ID6NA
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCC
CACTVS 3.341CCCCCC(O)=O
FormulaC6 H12 O2
NameHEXANOIC ACID
ChEMBLCHEMBL14184
DrugBank
ZINCZINC000001529230
PDB chain7ci0 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		R257 R261
Binding residue
(residue number reindexed from 1)		R254 R258
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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