Structure of PDB 1y1m Chain B Binding Site BS01

Receptor Information

>1y1m Chain B (length=264) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPTVPQCCY
GFCIDLLIKLARTMNFTYEVHLVADGKFGTQEKEWNGMMGELLSGQADMI
VAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKF
IYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAF
IWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKS
HENGFMEDLDKTWV

Ligand information

Ligand ID

AC5

InChI

InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)

InChIKey

NILQLFBWTXNUOE-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370	NC1(CCCC1)C(O)=O
ACDLabs 12.01	O=C(O)C1(N)CCCC1
OpenEye OEToolkits 1.7.2	C1CCC(C1)(C(=O)O)N

Formula

C6 H11 N O2

Name

1-AMINOCYCLOPENTANECARBOXYLIC ACID;
CYCLO-LEUCINE

PDB chain

1y1m Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1y1m Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	F92 L125 T126 R131 S180 W223 D224
Binding residue (residue number reindexed from 1)	F78 L104 T105 R110 S159 W202 D203
Annotation score	1
Binding affinity	MOAD: Ki=15.3mM

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0015276	ligand-gated monoatomic ion channel activity

	Cellular Component
GO:0016020	membrane

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1y1m, PDBe:1y1m, PDBj:1y1m
PDBsum	1y1m
PubMed	15996549
UniProt	P35439\|NMDZ1_RAT Glutamate receptor ionotropic, NMDA 1 (Gene Name=Grin1)

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