Structure of PDB 6odl Chain B Binding Site BS01

Receptor Information
>6odl Chain B (length=279) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVK
KCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQ
RAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRGTQVTGLSDKKFQR
PHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSLKT
GKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFATTGYGIALQKGSPWK
RQIDLALLQFVGDGEMEELETLWLTGICH
Ligand information
Ligand IDM7V
InChIInChI=1S/C10H17NO4/c1-2-3-4-10(9(14)15)5-6(10)7(11)8(12)13/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10-/m0/s1
InChIKeyCJQORTJFEFUXDX-BYULHYEWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCC[C]1(C[CH]1[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CCCCC1(CC1C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 2.0.7CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O
CACTVS 3.385CCCC[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O
ACDLabs 12.01CCCCC1(C(C(C(O)=O)N)C1)C(O)=O
FormulaC10 H17 N O4
Name(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid
ChEMBLCHEMBL2365794
DrugBank
ZINCZINC000095598690
PDB chain6odl Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6odl Stereoselective synthesis of novel 2'-(S)-CCG-IV analogues as potent NMDA receptor agonists.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H88 T116 R121 P170 G172 S173 T174 Y214
Binding residue
(residue number reindexed from 1)		H82 T110 R115 P164 G166 S167 T168 Y208
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6odl, PDBe:6odl, PDBj:6odl
PDBsum6odl
PubMed33383257
UniProtQ00959|NMDE1_RAT Glutamate receptor ionotropic, NMDA 2A (Gene Name=Grin2a)

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