2024-06-08_00000122|medium|8TDI

Structure of P2B11 Glucuronide-3-dehydrogenase; X-ray diffraction 2.60Å

Protein #1 405 residues (95% resolved)

Raw Sequence ...

MEKVRYGIIGVGNQGGAYAGFLTGTGNVPGMPAAPCPPHCALGALCDIDPQKEEMCKEKYPDVPFYKDWKDMVASGDVDAVITTVPHYLHTEIAIYCLEHGMNVLVEKPAGVYAKSVREMNECAAAHPEVTFGIMFNQRTNKLYQKIREIVASGELGEIRRSNWIINNWYRPDSYYRLSDWRATWGGEGGGVLVNQAPHQLDLWQWICGIPTTVYANCINGSHRDIAVENDVTVLTEYENGATGSFITCTHDLLGTDRFEIDLDGGKIVVEDSKKAYIYRFKETETAVNARDMDWMQIAMLTSSNGNSDDKMFEVEEFENTDGWGYQHTTVMENFAQHIIDGTPLLAPGSDGINGVRLANAIQLSGWTGEKVANPVDEDKYLAELNKRIEAEGKFPVREHHHHHH

Canonical Sequence ...

Non polymer #2 NAD

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

SMILES: c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N

Non polymer #3 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

SMILES: C(C(CO)(CO)[NH3+])O

C(C(CO)(CO)[NH3+])O

Reference