Structure of PDB 6whx Chain D Binding Site BS01

Receptor Information
>6whx Chain D (length=784) 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
NGTVSPSAFLEPFSACVWVMMFVMLLIVSAVAVFVFEYFTIGKAIWLLWG
LVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVD
QVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQ
RGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTG
YGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSS
QLDIDNMAGVFYMLGAAMALSLITFISEHLFYWQ
Ligand information
Ligand IDQGP
InChIInChI=1S/C16H16Cl2NO6P/c17-11-1-2-12(13(18)6-11)8-3-9(5-14(19)16(21)22)15(20)10(4-8)7-26(23,24)25/h1-4,6,14,20H,5,7,19H2,(H,21,22)(H2,23,24,25)/t14-/m0/s1
InChIKeyNYZFUZCCDOSQBG-AWEZNQCLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[CH](Cc1cc(cc(C[P](O)(O)=O)c1O)c2ccc(Cl)cc2Cl)C(O)=O
CACTVS 3.385N[C@@H](Cc1cc(cc(C[P](O)(O)=O)c1O)c2ccc(Cl)cc2Cl)C(O)=O
ACDLabs 12.01c2(c(CP(O)(=O)O)cc(c1c(cc(Cl)cc1)Cl)cc2CC(N)C(O)=O)O
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N
FormulaC16 H16 Cl2 N O6 P
Name(2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
ChEMBLCHEMBL409024
DrugBank
ZINCZINC000002581411
PDB chain6whx Chain D 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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PDB6whx Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Resolution4.09 Å
Binding residue
(original residue number in PDB)		L513 T514 R519 Y731 V735
Binding residue
(residue number reindexed from 1)		L472 T473 R478 Y670 V674
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6whx, PDBe:6whx, PDBj:6whx
PDBsum6whx
PubMed32610085
UniProtQ00960|NMDE2_RAT Glutamate receptor ionotropic, NMDA 2B (Gene Name=Grin2b)

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