2024-03-30_00000198|ligand|8UQZ

Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV; X-ray diffraction 1.61Å
Protein #1 333 residues (98% resolved)

MGDRINTVRGPITISEVGFTLTHEHICGSSAGFLRAWPEFFGSREALVEKAVRGLRRARAAGVRTIVDVSTFDLGRDVRLLAEVSRAADVHIVAATGVWLDPPLSIRMRSVEELTQFFLREIQYGIEDTGIRAGIIKVAITGKVTPFQELVLRAAARASLATGVPVITHTAGSQRGGEQQAAIFESEGLSPSRVCIGHSDETDDLSYLTALAARGYLIGLDRIPHSAIGLEDNASATAFMGSRSWQTRALLIKALIDQGYMKQILVSNDWLFGISSYVTNFMDVMDSVNPDGMAFIPLRVIPFLREKGIPQETLAGITVTNPARFLSPTLRAS

MGDRINTVRGPITISEVGFTLTHEHICGSSAGFLRAWPEFFGSREALVEKAVRGLRRARAAGVRTIVDVSTFDLGRDVRLLAEVSRAADVHIVAATGVWLDPPLSIRMRSVEELTQFFLREIQYGIEDTGIRAGIIKVAITGKVTPFQELVLRAAARASLATGVPVITHTAGSQRGGEQQAAIFESEGLSPSRVCIGHSDETDDLSYLTALAARGYLIGLDRIPHSAIGLEDNASATAFMGSRSWQTRALLIKALIDQGYMKQILVSNDWLFGISSYVTNFMDVMDSVNPDGMAFIPLRVIPFLREKGIPQETLAGITVTNPARFLSPTLRAS
Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #3 GD3

InChI=1S/Gd/q+3

[Gd+3]
Non polymer #4 MPD

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1

C[C@@H](CC(C)(C)O)O
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