Structure of PDB 4f8h Chain D Binding Site BS02

Receptor Information
>4f8h Chain D (length=311) Species: 251221 (Gloeobacter violaceus PCC 7421) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPPPPIADEPLTVNTGIYLIECYSLDDKAETFKVNAFLSLSWKDRRLAF
DPVRSGVRVKTYEPEAIWIPEIRFVNVENARDADVVDISVSPDGTVQYLE
RFSARVLSPLDFRRYPFDSQTLHIYLIVRSVDTRNIVLAVDLEKVGKNDD
VFLTGWDIESFTAVVKPANFALEDRLESKLDYQLRISRQYFSYIPNIILP
MLFILFISWTAFWSTSYEANVTLVVSTLIAHIAFNILVETNLPKTPYMTY
TGAIIFMIYLFYFVAVIEVTVQHYLKVESQPARAASITRASRIAFPVVFL
LANIILAFLFF
Ligand information
Ligand IDRKE
InChIInChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
InChIKeyYQEZLKZALYSWHR-CYBMUJFWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CNC1(CCCCC1=O)c2ccccc2Cl
CACTVS 3.370CN[C]1(CCCCC1=O)c2ccccc2Cl
ACDLabs 12.01Clc1c(cccc1)C2(NC)C(=O)CCCC2
CACTVS 3.370
OpenEye OEToolkits 1.7.2		CN[C@]1(CCCCC1=O)c2ccccc2Cl
FormulaC13 H16 Cl N O
Name(R)-ketamine;
(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
ChEMBLCHEMBL467505
DrugBank
ZINCZINC000036294079
PDB chain4f8h Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f8h Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		Y23 N152 D153 D154
Binding residue
(residue number reindexed from 1)		Y19 N148 D149 D150
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4f8h, PDBe:4f8h, PDBj:4f8h
PDBsum4f8h
PubMed22958642
UniProtQ7NDN8|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)

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