2026-08-22_00000409|ligand|9THU

Bacteriodes thetaiotamicron sulphatase BT1636_S77C in complex with Phosphate Ions; X-ray diffraction 1.40Å
Protein #1 510 residues (94% resolved)

MGSSHHHHHHSSGLVPRGSHMASQKNNTKPNILFILCDDMGYGDLGCYGQPFIRTPHLDAMASEGMRFTQAYAGSPVSAPSRASFMTGQHTGHCEVRGNKEYWTNAPTVMYGNNKEYAVVGQHPYDPDHVILPEIMKENGYTTGMFGKWAGGYEGSCSTPDKRGIDEYFGYICQFQAHLYYPNFLNRYSKALGDTGVVRVIMDENIKYPMYGADYQKRPQYSADMIHQKAMEWLDEQDGKQPFFGVLTYTLPHAELVQPEDSILNEYKEKFNPDKSYKGSEGSRYNAITHVHAQFAGMITRLDYYVGEVLKKLKEKGLDENTLVIFSSDNGPHEEGGADPTFFGRDGKLRGLKRQCYEGGIRIPFIARWPGRVPAGTVNDHICAFYDLMPTFCEIIGEKNYVKKYANKDKEVDYFDGISFAPTLLGKKKQKEHDFLYWEFNETNQIGVRMGDWKMVVKKGIPFLYNLATDIHEDNNVADQHPEIVEKMKAVIFAQHTPNPHFSVTLPEKK

MGSSHHHHHHSSGLVPRGSHMASQKNNTKPNILFILCDDMGYGDLGCYGQPFIRTPHLDAMASEGMRFTQAYAGSPVSAPSRASFMTGQHTGHCEVRGNKEYWTNAPTVMYGNNKEYAVVGQHPYDPDHVILPEIMKENGYTTGMFGKWAGGYEGSCSTPDKRGIDEYFGYICQFQAHLYYPNFLNRYSKALGDTGVVRVIMDENIKYPMYGADYQKRPQYSADMIHQKAMEWLDEQDGKQPFFGVLTYTLPHAELVQPEDSILNEYKEKFNPDKSYKGSEGSRYNAITHVHAQFAGMITRLDYYVGEVLKKLKEKGLDENTLVIFSSDNGPHEEGGADPTFFGRDGKLRGLKRQCYEGGIRIPFIARWPGRVPAGTVNDHICAFYDLMPTFCEIIGEKNYVKKYANKDKEVDYFDGISFAPTLLGKKKQKEHDFLYWEFNETNQIGVRMGDWKMVVKKGIPFLYNLATDIHEDNNVADQHPEIVEKMKAVIFAQHTPNPHFSVTLPEKK
Non polymer #2 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #3 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 #4 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
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Reference