2026-10-31_00000796
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ligand
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9V2F
CTP synthase dDON-condition state 5;
Electron microscopy 3.00Å
Protein #1
556 residues (95% resolved)
Raw Sequence ...
MKYILVTGGVISGVGKGVIASSFGTLLKSCGLDVTSIKIDPYINIDAGTFSPYEHGEVYVLDDGAEVDLDLGNYERFLDVTLHRDNNITTGKIYKLVIEKERTGEYLGKTVQVVPHITDAIQEWVERVAQTPVQGSSKPQVCIVELGGTIGDIEGMPFVEAFRQFQFRVKRENFCLAHVSLVPLPKATGEPKTKPTQSSVRELRGCGLSPDLIVCRSEKPIGLEVKEKISNFCHVGPDQVICIHDLNSIYHVPLLMEQNGVIEYLNERLQLNIDMSKRTKCLQQWRDLARRTETVRREVCIAVVGKYTKFTDSYASVVKALQHAALAVNRKLELVFIESCLLEEETLHSEPSKYHKEWQKLCDSHGILVPGGFGSRGMEGKIRACQWARENQKPLLGICLGLQAAVIEFARNKLGLKDANTTEIDPNTANALVIDMPEHHTGQLGGTMRLGKRITVFSDGPSVIRQLYGNPKSVQERHRHRYEVNPKYVHLLEEQGMRFVGTDVDKTRMEIIELSGHPYFVATQYHPEYLSRPLKPSPPFLGLILASVDRLNQYIQ
Canonical Sequence ...
MKYILVTGGVISGVGKGVIASSFGTLLKSCGLDVTSIKIDPYINIDAGTFSPYEHGEVYVLDDGAEVDLDLGNYERFLDVTLHRDNNITTGKIYKLVIEKERTGEYLGKTVQVVPHITDAIQEWVERVAQTPVQGSSKPQVCIVELGGTIGDIEGMPFVEAFRQFQFRVKRENFCLAHVSLVPLPKATGEPKTKPTQSSVRELRGCGLSPDLIVCRSEKPIGLEVKEKISNFCHVGPDQVICIHDLNSIYHVPLLMEQNGVIEYLNERLQLNIDMSKRTKCLQQWRDLARRTETVRREVCIAVVGKYTKFTDSYASVVKALQHAALAVNRKLELVFIESCLLEEETLHSEPSKYHKEWQKLCDSHGILVPGGFGSRGMEGKIRACQWARENQKPLLGICLGLQAAVIEFARNKLGLKDANTTEIDPNTANALVIDMPEHHTGQLGGTMRLGKRITVFSDGPSVIRQLYGNPKSVQERHRHRYEVNPKYVHLLEEQGMRFVGTDVDKTRMEIIELSGHPYFVATQYHPEYLSRPLKPSPPFLGLILASVDRLNQYIQ
Non polymer #2
8WY
InChI=1S/C6H13NO4/c1-6(10,11)3-2-4(7)5(8)9/h4,10-11H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1
InChI=1S/C6H13NO4/c1-6(10,11)3-2-4(7)5(8)9/h4,10-11H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1
SMILES: CC(CC[C@@H](C(=O)O)N)(O)O
CC(CC[C@@H](C(=O)O)N)(O)O
Non polymer #3
A1FGS
InChI=1S/C9H16N2O17P4/c12-5-3-8(11-2-1-7(10-9(11)13)26-29(14,15)16)25-6(5)4-24-31(20,21)28-32(22,23)27-30(17,18)19/h1-2,5-6,8,12H,3-4H2,(H,20,21)(H,22,23)(H2,14,15,16)(H2,17,18,19)/t5-,6+,8+/m0/s1
InChI=1S/C9H16N2O17P4/c12-5-3-8(11-2-1-7(10-9(11)13)26-29(14,15)16)25-6(5)4-24-31(20,21)28-32(22,23)27-30(17,18)19/h1-2,5-6,8,12H,3-4H2,(H,20,21)(H,22,23)(H2,14,15,16)(H2,17,18,19)/t5-,6+,8+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Non polymer #4
DAT
InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N
Non polymer #5
DGT
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
SMILES: c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
Non polymer #6
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-trimer
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Model
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