2024-12-14_00000322
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ligand
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8Y0V
HIF prolyl hydroxylase 2 in complex with inhibitor;
X-ray diffraction 2.50Å
Protein #1
246 residues (80% resolved)
Raw Sequence ...
PNGQTKPLPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGKFTDGQLVSQKSDSSKDIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGKLGSYKINGRTKAMVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAITVWYFDADERARAKVKYLTGEKGVRVELNKPSDSVGKDVF
Canonical Sequence ...
PNGQTKPLPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGKFTDGQLVSQKSDSSKDIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGKLGSYKINGRTKAMVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAITVWYFDADERARAKVKYLTGEKGVRVELNKPSDSVGKDVF
Non polymer #2
A1D5X
InChI=1S/C25H27N7O4/c1-25(2,3)36-24(35)32-10-8-31(9-11-32)20-7-6-18-19(30-20)15-28-21(22(18)33)23(34)29-14-16-4-5-17(12-26)27-13-16/h4-7,13,15,33H,8-11,14H2,1-3H3,(H,29,34)
InChI=1S/C25H27N7O4/c1-25(2,3)36-24(35)32-10-8-31(9-11-32)20-7-6-18-19(30-20)15-28-21(22(18)33)23(34)29-14-16-4-5-17(12-26)27-13-16/h4-7,13,15,33H,8-11,14H2,1-3H3,(H,29,34)
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(n2)cnc(c3O)C(=O)NCc4ccc(nc4)C#N
CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(n2)cnc(c3O)C(=O)NCc4ccc(nc4)C#N
Non polymer #3
MN
InChI=1S/Mn/q+2
InChI=1S/Mn/q+2
SMILES: [Mn+2]
[Mn+2]
Biounit #1
monomer
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Model
Reference
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