Structure of PDB 6whw Chain D Binding Site BS01

Receptor Information
>6whw Chain D (length=785) 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
NGTVSPSAFLEPFSACVWVMMFVMLLIVSAVAVFVFEYFFTIGKAIWLLW
GLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYV
DQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFN
QRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFAST
GYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMS
SQLDIDNMAGVFYMLGAAMALSLITFISEHLFYWQ
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 chain6whw 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

[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]
PDB6whw Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Resolution4.09 Å
Binding residue
(original residue number in PDB)		E413 L513 T514 R519 G689 S690 T691 V735
Binding residue
(residue number reindexed from 1)		E372 L472 T473 R478 G629 S630 T631 V675
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6whw, PDBe:6whw, PDBj:6whw
PDBsum6whw
PubMed32610085
UniProtQ00960|NMDE2_RAT Glutamate receptor ionotropic, NMDA 2B (Gene Name=Grin2b)

[Back to BioLiP]