Structure of PDB 8gdl Chain A Binding Site BS01

Receptor Information
>8gdl Chain A (length=355) Species: 163159 (Xenopsylla cheopis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLKFVFVMARGGDFVAGDYAGGPKIINKEAKDSELTEQGKQEAFQLGTKL
SGLYKTKLGVSKWDSKTYWPVAISQKRAQVSTLITGAGLEGDQSKRDKTW
TDQELKATSFPAMESFSRFIKPSECPNYLKELLAQQGEITTIVKECISSV
QQVKSKYPAVDEKMPQHIWLAYETLKKLKRQQPSSSTWMTDDLMKNLREC
SAKITWLATTKTDTLRKLSGGLLLNDLFNDMDQITQGKAQPNAPGGKDSK
LNVFTVSQFLVISQLAAFMPEGSKLNNKAVTASDIYPEDGSHVDIEMYQE
NNKWSVKLVYVSGKDKQPQTITLPGCQEKCPYEQFKSALQKYKITDEEHQ
KACKN
Ligand information
Ligand IDSRO
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)c(c[nH]2)CCN
ACDLabs 10.04Oc1cc2c(cc1)ncc2CCN
CACTVS 3.341NCCc1c[nH]c2ccc(O)cc12
FormulaC10 H12 N2 O
NameSEROTONIN;
3-(2-AMINOETHYL)-1H-INDOL-5-OL
ChEMBLCHEMBL39
DrugBankDB08839
ZINCZINC000000057058
PDB chain8gdl 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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PDB8gdl Acid phosphatase-like proteins, a biogenic amine and leukotriene-binding salivary protein family from the flea Xenopsylla cheopis.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F7 V8 M9 F111 D227 L228 D231 N253 F255 Q265
Binding residue
(residue number reindexed from 1)		F6 V7 M8 F110 D226 L227 D230 N252 F254 Q264
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
External links