Structure of PDB 7e7l Chain B Binding Site BS01

Receptor Information
>7e7l Chain B (length=766) Species: 1299998 (Tractidigestivibacter scatoligenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLNPLRHTAKMSMARAQLITDGYKEYEGYSLYRKRGLSVRKIMREIPIFI
DDDQLLVGDFSATQMSPEWYPDLAASWVEDYIDKFTGPEQAEQARAIAQY
WHNIGGKEMWIKYMGPEQEEFYLTNTVSEMYAEKAWNVPDCARMITTGAR
GFIEEIDNKLANLTVLTDEDYRAHEFYLALRYELEGVIDYAHRYAALARE
KAAVERDPQRKVELEEIARVCDRVPEYPAETFQEALQSFFFAVLMVYWDT
RTYGMGMGRMDQFLYPTFKKDIERGYIDEKYAQDLLECFRCKIMEKRQFW
PDVMVPSVSAESHFHNVVLGGVDPKTGKDATNRLSYLFLDAATKVRTPHP
TLSVRWHANIDEKFMDRALEVVAMMGFPAFFGDDTTIQYLLERGYTLEEA
RNYAIGGCVLHQVPGKQSSVWPIVQNYGKMLEMTLNNGFNWYSQEQIGPK
TGNFLEMKTYDEFIEAYRKQCEYWAQIAANSNRQCRIEHLESFPDIAMSC
FVDDCIDRGKVCSLGGAAHNDNTQYIVPVGVQDLGNNLYVLKNQIFVDNP
ICSKETLLDAIHKNWEGYEDLQAKMIAMPKFGNDIPEVDELVNWGYKFIE
DIWFKIPSAYGSHFEVAPHSIGFHAGTGAKCSALPDGRVAWTAMSDGAVS
PRQGTDTNGPAAVMCSAGCVDQVDLFGVLFNMRFTPQSLADKSGRDKLKA
LIETYFHDMGGKHVQFNVMSKKQMIEAKEHPLEHQDLIVRVAGYSAYWAD
LSTTIQDELIARSELT
Ligand information
Ligand ID4HP
InChIInChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyXQXPVVBIMDBYFF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)O)O
ACDLabs 10.04O=C(O)Cc1ccc(O)cc1
FormulaC8 H8 O3
Name4-HYDROXYPHENYLACETATE
ChEMBLCHEMBL1772
DrugBank
ZINCZINC000000213065
PDB chain7e7l Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e7l The Glycyl Radical Enzyme Arylacetate Decarboxylase from Olsenella scatoligenes
Resolution3.53 Å
Binding residue
(original residue number in PDB)		S166 A170 P461 I660
Binding residue
(residue number reindexed from 1)		S128 A132 P422 I621
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:7e7l, PDBe:7e7l, PDBj:7e7l
PDBsum7e7l
PubMed
UniProtA0A100YWM3

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