Structure of PDB 9ari Chain B Binding Site BS01

Receptor Information
>9ari Chain B (length=787) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIIT
RICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMI
MADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFV
NKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCT
KEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYD
EWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSN
MLNRYLINVTFEGRDLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKS
LQMKYYVWPRMDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRII
SENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKIN
GTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRS
NGTVSPSAFLEPFSACVWVMMFVMLLIVSAVAVFVFEYFSPSFTIGKAIW
LLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQE
EYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMG
KFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVF
ASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNE
VMSSQLDIDNMAGVFYMLGAAMALSLITFISEHLFYW
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain9ari Chain B Residue 901 [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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PDB9ari Molecular mechanism of ligand-gating in NMDA receptor channel
Resolution3.9 Å
Binding residue
(original residue number in PDB)		H486 T514 S690 T691 Y731 D732
Binding residue
(residue number reindexed from 1)		H445 T473 S633 T634 Y674 D675
Annotation score4
External links
PDB RCSB:9ari, PDBe:9ari, PDBj:9ari
PDBsum9ari
PubMed
UniProtQ00960|NMDE2_RAT Glutamate receptor ionotropic, NMDA 2B (Gene Name=Grin2b)

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