2026-10-03_00000283
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ligand
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9YHZ
Crystal structure of Trap1 bound to Si-MitoQ;
X-ray diffraction 2.60Å
Protein #1
719 residues (84% resolved)
Raw Sequence ...
MIRSLNLLKYSLNVSQRAQLRLLSSSKWTGHRIVPAAFTGVDTNGRQQLHQPRPFRLWSPSCSGVSVHHRSYSTQQHTEPAEEETLHNIITDTENVQGSFSKHEFQAETKKLLDIVARSLYSEKEVFIRELISNGSDALEKLRHRMITAGGDTAPMEIHLQTDSVKGTFTIQDTGVGMNKEDLVSNLGTIARSGSKAFLDALQNQAEASSSIIGQFGVGFYSAFMVADKVEVYSQSAEADAPGYKWSSDGSGVFEVAEASGVRQGTKIVLHLKDDCKEFSSEDRVKEVVTKYSNFVSFPIFLNGRRLNTLQALWMMEPKDISEWQHEEFYRYVAQAYDKPRYTLHYRADAPLNIRSIFYVPEMKPSMFDVSREMGSSVALYSRKILIQTKATDILPKWLRFLRGVVDSEDIPLNLSRELLQESALIRKLRDVLQQRVIRFLLDQSKKDPEKYARFFEDYGLFMREGIVTTGEQSVKEDIAKLLRFESSALPAGQQTSLMEYSSRMKAGTRNIYYLCAPNRHLAEHSPYFEAMKQKDMEVLFCFEQFDELTLLHLREFDRKKLISAETDIVVDHYKEEKFQDSKPASERLSSEQAEDLLAWMRNALVQRVTNIKVTPRLDTHPAMITVLEMGAARHFLRTQQLARSSEERAQILQPTLEINTGHDLIKKLHALKDSNPELAQLLLEQIYDNAMIAAGLNEDPRPMISRLNQLLTRALEKH
Canonical Sequence ...
MIRSLNLLKYSLNVSQRAQLRLLSSSKWTGHRIVPAAFTGVDTNGRQQLHQPRPFRLWSPSCSGVSVHHRSYSTQQHTEPAEEETLHNIITDTENVQGSFSKHEFQAETKKLLDIVARSLYSEKEVFIRELISNGSDALEKLRHRMITAGGDTAPMEIHLQTDSVKGTFTIQDTGVGMNKEDLVSNLGTIARSGSKAFLDALQNQAEASSSIIGQFGVGFYSAFMVADKVEVYSQSAEADAPGYKWSSDGSGVFEVAEASGVRQGTKIVLHLKDDCKEFSSEDRVKEVVTKYSNFVSFPIFLNGRRLNTLQALWMMEPKDISEWQHEEFYRYVAQAYDKPRYTLHYRADAPLNIRSIFYVPEMKPSMFDVSREMGSSVALYSRKILIQTKATDILPKWLRFLRGVVDSEDIPLNLSRELLQESALIRKLRDVLQQRVIRFLLDQSKKDPEKYARFFEDYGLFMREGIVTTGEQSVKEDIAKLLRFESSALPAGQQTSLMEYSSRMKAGTRNIYYLCAPNRHLAEHSPYFEAMKQKDMEVLFCFEQFDELTLLHLREFDRKKLISAETDIVVDHYKEEKFQDSKPASERLSSEQAEDLLAWMRNALVQRVTNIKVTPRLDTHPAMITVLEMGAARHFLRTQQLARSSEERAQILQPTLEINTGHDLIKKLHALKDSNPELAQLLLEQIYDNAMIAAGLNEDPRPMISRLNQLLTRALEKH
Non polymer #2
A1C0Q
InChI=1S/C39H51O4PSi/c1-31-35(37(41)39(43-3)38(42-2)36(31)40)27-20-30-45(4,5)29-19-8-6-7-18-28-44(32-21-12-9-13-22-32,33-23-14-10-15-24-33)34-25-16-11-17-26-34/h9-17,21-26,44H,6-8,18-20,27-30H2,1-5H3
InChI=1S/C39H51O4PSi/c1-31-35(37(41)39(43-3)38(42-2)36(31)40)27-20-30-45(4,5)29-19-8-6-7-18-28-44(32-21-12-9-13-22-32,33-23-14-10-15-24-33)34-25-16-11-17-26-34/h9-17,21-26,44H,6-8,18-20,27-30H2,1-5H3
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC[Si](C)(C)CCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCC[Si](C)(C)CCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4
Non polymer #3
ANP
InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
Non polymer #4
CO
InChI=1S/Co/q+2
InChI=1S/Co/q+2
SMILES: [Co+2]
[Co+2]
Non polymer #5
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-dimer
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Model
Reference
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