2024-11-23_00000334
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ligand
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9GIE
NMDA bound to compound 315;
X-ray diffraction 2.36Å
Protein #1
292 residues (94% resolved)
Raw Sequence ...
MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR
Canonical Sequence ...
MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR
Non polymer #2
A1ILS
InChI=1S/C20H23N3O3/c1-2-12-6-3-4-7-13(12)14-8-5-9-17-15(14)10-18(23-17)19(24)22-11-16(21)20(25)26/h3-9,16,18,23H,2,10-11,21H2,1H3,(H,22,24)(H,25,26)/t16-,18?/m1/s1
InChI=1S/C20H23N3O3/c1-2-12-6-3-4-7-13(12)14-8-5-9-17-15(14)10-18(23-17)19(24)22-11-16(21)20(25)26/h3-9,16,18,23H,2,10-11,21H2,1H3,(H,22,24)(H,25,26)/t16-,18?/m1/s1
SMILES: CCc1ccccc1c2cccc3c2CC(N3)C(=O)NC[C@H](C(=O)O)N
CCc1ccccc1c2cccc3c2CC(N3)C(=O)NC[C@H](C(=O)O)N
Biounit #1
homo-dimer
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Model
Reference
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