Structure of PDB 6whv Chain B Binding Site BS01

Receptor Information
>6whv Chain B (length=783) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITR
ICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIM
ADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVN
KIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTK
EEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYDE
WDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNM
LNRYLINVTFEGRDLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSL
QMKYYVWPRMDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIISE
NKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGT
WNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNG
TVSPSAFLEPFSACVWVMMFVMLLIVSAVAVFVFEYSFTIGKAIWLLWGL
VFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQ
VSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQR
GVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGY
GIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQ
LDIDNMAGVFYMLGAAMALSLITFISEHLFYWQ
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 chain6whv 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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PDB6whv Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Resolution4.05 Å
Binding residue
(original residue number in PDB)		E413 A414 L513 T514 R519 G689 S690 Y762
Binding residue
(residue number reindexed from 1)		E370 A371 L470 T471 R476 G627 S628 Y700
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:6whv, PDBe:6whv, PDBj:6whv
PDBsum6whv
PubMed32610085
UniProtQ00960|NMDE2_RAT Glutamate receptor ionotropic, NMDA 2B (Gene Name=Grin2b)

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