Structure of PDB 4tlm Chain D Binding Site BS01

Receptor Information
>4tlm Chain D (length=753) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIAVILVGTTEEVAIKDVHEKDDFHHLPVTPRVELVTMQESDPKSIITR
ICDLMSDKKVQGVVFGDDTDQEAIAQILDFISVQTLTPILGIHGGSSMIM
ADKEEASMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFEN
KVRSTIENSFVGWELEEVIHLDMSLDDIDSKIQNQLCKLQSPVILLYCTK
EEATYIFEVAHSVGLTGYGFTWIVPSLVAGDTDTVPDEFPTGLISVSYDE
WDYDLPARVRDGIAIITTAASTMLSEHNSIPQSKSSCNNIQESRVYEAHM
LKRYLINVTFEGRDLSFSEDGYQMHPKLVIILLNQERKWERVGKYKDRSL
KMWEHLSIVTLEEAPFVIVEDVDPLSGTCMRNTVPCRKQIIKRCCKGFCI
DILKKIAKTVKFTYDLYLVTNGKHGKKINGVWNGMIGEVVTKRAYMAVGS
LTINEERSEVVDFSVPFIETGISVMVSRSNGSAFLEPFSADVWVMMFVML
LIVSAVAVFVFEFTIGKAIWLLWGLVFNNSLPVQNPKGTTSKIMVSVWAF
FAVIFLASYTANLAAFMIQRRYVDQVSGLSDKKFQRPNDFSPAFRFGTVP
NGSTERNIRNNYLEMHSYMVKFNQRSVQDALLSLKSGKLDAFIYDAAVLN
YMAGRDEGCKLVTIGSGKVFATTGYGIAIQKDSGWKRQVDLAILQLFGDG
EMEELEALWLTGICHNEKSQLDIDNMAGVFYMLAAAMALSLITFIMEHLF
YKS
Ligand information
Ligand IDQEM
InChIInChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
InChIKeyWVZSEUPGUDIELE-HTAPYJJXSA-N
SMILES
SoftwareSMILES
CACTVS 3.370C[CH](CN1CC[CH](CC1)Cc2ccccc2)[CH](O)c3ccc(O)cc3
ACDLabs 12.01Oc1ccc(cc1)C(O)C(CN2CCC(CC2)Cc3ccccc3)C
CACTVS 3.370C[C@@H](CN1CC[C@H](CC1)Cc2ccccc2)[C@@H](O)c3ccc(O)cc3
OpenEye OEToolkits 1.7.0CC(CN1CCC(CC1)Cc2ccccc2)C(c3ccc(cc3)O)O
OpenEye OEToolkits 1.7.0C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O
FormulaC22 H29 N O2
Name4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
ChEMBLCHEMBL305195
DrugBank
ZINCZINC000000007042
PDB chain4tlm Chain C Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4tlm NMDA receptor structures reveal subunit arrangement and pore architecture.
Resolution3.77 Å
Binding residue
(original residue number in PDB)		Q105 I106 F109 Y170 F171
Binding residue
(residue number reindexed from 1)		Q76 I77 F80 Y141 F142
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006811 monoatomic ion transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4tlm, PDBe:4tlm, PDBj:4tlm
PDBsum4tlm
PubMed25008524
UniProtA7XY94|NMDE2_XENLA Glutamate receptor ionotropic, NMDA 2B (Gene Name=grin2b)

[Back to BioLiP]