Structure of PDB 9are Chain D Binding Site BS01

Receptor Information
>9are Chain D (length=789) 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
MLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKS
LQMKYYVWPRMDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRII
SENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKIN
GTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRS
NGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPGPSFTIGKA
IWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMI
QEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAY
MGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGK
VFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEK
NEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLFYW
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 chain9are Chain D Residue 1001 [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]
PDB9are Molecular mechanism of ligand-gating in NMDA receptor channel
Resolution3.72 Å
Binding residue
(original residue number in PDB)		H486 T514 R519 S690 Y731 D732
Binding residue
(residue number reindexed from 1)		H445 T473 R478 S635 Y676 D677
Annotation score4
External links
PDB RCSB:9are, PDBe:9are, PDBj:9are
PDBsum9are
PubMed
UniProtQ00960|NMDE2_RAT Glutamate receptor ionotropic, NMDA 2B (Gene Name=Grin2b)

[Back to BioLiP]