Structure of PDB 8hwp Chain A Binding Site BS01

Receptor Information
>8hwp Chain A (length=328) Species: 265901 (Photobacterium sp. J15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEFDRITNFGDALSDIGNKHMITVDMNQATSGKIGIRADKPNFDGRFSNG
PVWTEYLAGFLAKPAPVRGHGEIDSQVVLKDQAGKQITYHYHHNALPGTN
WAVGGAMSGLGNFLDIDAANGFTAKSGLDVLTNTGQQIKLRIANKGQFTG
NELVSYMSGTNNLWFTLFGDLDQTGNKAAGFALTDIETLIDAGAKQVLAA
NIPDFVDAPWFAGQQKKTTRFIQSHNQALKAGLDQLAAAHPDVEIYYFDA
FDLFNKVSNEVKTKGKYQDKELAITLTNVTGEAYSYATGKVIAQPNRNLF
WDGLHPTTAMHKIMAKEAASLVISGRTL
Ligand information
Ligand IDBUA
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(=O)O
CACTVS 3.385CCCC(O)=O
FormulaC4 H8 O2
Namebutanoic acid
ChEMBLCHEMBL14227
DrugBankDB03568
ZINCZINC000000895132
PDB chain8hwp Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hwp Crystal Structure of Mutant GDSL Esterase of Photobacterium sp. J15 in Complex with Butyrate
Resolution1.73 Å
Binding residue
(original residue number in PDB)		L114 F165 G169 D170
Binding residue
(residue number reindexed from 1)		L114 F165 G169 D170
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016788 hydrolase activity, acting on ester bonds
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:8hwp, PDBe:8hwp, PDBj:8hwp
PDBsum8hwp
PubMed
UniProtA0A0K0PV22

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