2024-11-23_00000331
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ligand
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9GIB
NMDA bound to compound 380;
X-ray diffraction 1.95Å
Protein #1
285 residues (99% resolved)
Raw Sequence ...
GSPDDNHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRGTQVTGLSDKKFQRPHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSLKTGKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFATTGYGIALQKGSPWKRQIDLALLQFVGDGEMEELETLWLTGICHN
Canonical Sequence ...
GSPDDNHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRGTQVTGLSDKKFQRPHDYSPPFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSLKTGKLDAFIYDAAVLNYKAGRDEGCKLVTIGSGYIFATTGYGIALQKGSPWKRQIDLALLQFVGDGEMEELETLWLTGICHN
Protein #2
291 residues (95% resolved)
Raw Sequence ...
MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDS
Canonical Sequence ...
MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDS
Non polymer #3
A1ILP
InChI=1S/C15H16FN3O4/c1-2-13-11(6-19-23-13)8-3-9(5-10(16)4-8)14(20)18-7-12(17)15(21)22/h3-6,12H,2,7,17H2,1H3,(H,18,20)(H,21,22)/t12-/m1/s1
InChI=1S/C15H16FN3O4/c1-2-13-11(6-19-23-13)8-3-9(5-10(16)4-8)14(20)18-7-12(17)15(21)22/h3-6,12H,2,7,17H2,1H3,(H,18,20)(H,21,22)/t12-/m1/s1
SMILES: CCc1c(cno1)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N
CCc1c(cno1)c2cc(cc(c2)F)C(=O)NC[C@H](C(=O)O)N
Non polymer #4
GLU
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
SMILES: C(CC(=O)O)[C@@H](C(=O)O)N
C(CC(=O)O)[C@@H](C(=O)O)N
Biounit #1
hetero-1-1-mer
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Model
Reference
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