2026-08-22_00000411|ligand|9THW

Bacteriodes thetaiotamicron sulphatase BT1636_S77C in complex with Molybdate Ions; X-ray diffraction 1.40Å
Protein #1 510 residues (95% resolved)

MGSSHHHHHHSSGLVPRGSHMASQKNNTKPNILFILCDDMGYGDLGCYGQPFIRTPHLDAMASEGMRFTQAYAGSPVSAPSRASFMTGQHTGHCEVRGNKEYWTNAPTVMYGNNKEYAVVGQHPYDPDHVILPEIMKENGYTTGMFGKWAGGYEGSCSTPDKRGIDEYFGYICQFQAHLYYPNFLNRYSKALGDTGVVRVIMDENIKYPMYGADYQKRPQYSADMIHQKAMEWLDEQDGKQPFFGVLTYTLPHAELVQPEDSILNEYKEKFNPDKSYKGSEGSRYNAITHVHAQFAGMITRLDYYVGEVLKKLKEKGLDENTLVIFSSDNGPHEEGGADPTFFGRDGKLRGLKRQCYEGGIRIPFIARWPGRVPAGTVNDHICAFYDLMPTFCEIIGEKNYVKKYANKDKEVDYFDGISFAPTLLGKKKQKEHDFLYWEFNETNQIGVRMGDWKMVVKKGIPFLYNLATDIHEDNNVADQHPEIVEKMKAVIFAQHTPNPHFSVTLPEKK

MGSSHHHHHHSSGLVPRGSHMASQKNNTKPNILFILCDDMGYGDLGCYGQPFIRTPHLDAMASEGMRFTQAYAGSPVSAPSRASFMTGQHTGHCEVRGNKEYWTNAPTVMYGNNKEYAVVGQHPYDPDHVILPEIMKENGYTTGMFGKWAGGYEGSCSTPDKRGIDEYFGYICQFQAHLYYPNFLNRYSKALGDTGVVRVIMDENIKYPMYGADYQKRPQYSADMIHQKAMEWLDEQDGKQPFFGVLTYTLPHAELVQPEDSILNEYKEKFNPDKSYKGSEGSRYNAITHVHAQFAGMITRLDYYVGEVLKKLKEKGLDENTLVIFSSDNGPHEEGGADPTFFGRDGKLRGLKRQCYEGGIRIPFIARWPGRVPAGTVNDHICAFYDLMPTFCEIIGEKNYVKKYANKDKEVDYFDGISFAPTLLGKKKQKEHDFLYWEFNETNQIGVRMGDWKMVVKKGIPFLYNLATDIHEDNNVADQHPEIVEKMKAVIFAQHTPNPHFSVTLPEKK
Non polymer #2 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #3 MOO

InChI=1S/Mo.4O/q;;;2*-1

[O-][Mo](=O)(=O)[O-]
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
Non polymer #5 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference