2025-09-27_00000258
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ligand
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9RIS
Crystal structure of human IDO1 in complex with iDeg-1;
X-ray diffraction 2.10Å
Protein #1
404 residues (90% resolved)
Raw Sequence ...
GPLGSGIQMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLL
Canonical Sequence ...
GPLGSGIQMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLL
Non polymer #2
A1JGL
InChI=1S/C30H40N2O4S/c1-20-7-11-24(12-8-20)31-27(33)36-19-30-18-32(17-23(30)15-22-16-26(30)29(22,5)6)37(34,35)25-13-9-21(10-14-25)28(2,3)4/h7-14,22-23,26H,15-19H2,1-6H3,(H,31,33)/t22-,23+,26+,30+/m0/s1
InChI=1S/C30H40N2O4S/c1-20-7-11-24(12-8-20)31-27(33)36-19-30-18-32(17-23(30)15-22-16-26(30)29(22,5)6)37(34,35)25-13-9-21(10-14-25)28(2,3)4/h7-14,22-23,26H,15-19H2,1-6H3,(H,31,33)/t22-,23+,26+,30+/m0/s1
SMILES: Cc1ccc(cc1)NC(=O)OC[C@]23CN(C[C@H]2C[C@H]4C[C@@H]3C4(C)C)S(=O)(=O)c5ccc(cc5)C(C)(C)C
Cc1ccc(cc1)NC(=O)OC[C@]23CN(C[C@H]2C[C@H]4C[C@@H]3C4(C)C)S(=O)(=O)c5ccc(cc5)C(C)(C)C
Non polymer #3
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Biounit #1
monomer
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Model
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