2024-11-02_00000258
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ligand
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8Z2K
Substrate analog a013 bound form of PET-degrading cutinase mutant Cut190**SS_S176A;
X-ray diffraction 2.20Å
Protein #1
260 residues (98% resolved)
Raw Sequence ...
GPNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRETDEGTFGAVAVAPGFTASQGSMSWYGERVASHGFIVFTIDTNTRLDAPGQRGRQLLAALDYLVERSDRKVRERLDPNRLAVMGHAMGGGGSLEATVMRPSLKASIPLTPWHLDKTWGQVQVPTFIIGAELDTIAPVSTHAKPFYESLPSSLPKAYMELCGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTDRAICEYRSTCPY
Canonical Sequence ...
GPNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRETDEGTFGAVAVAPGFTASQGSMSWYGERVASHGFIVFTIDTNTRLDAPGQRGRQLLAALDYLVERSDRKVRERLDPNRLAVMGHAMGGGGSLEATVMRPSLKASIPLTPWHLDKTWGQVQVPTFIIGAELDTIAPVSTHAKPFYESLPSSLPKAYMELCGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTDRAICEYRSTCPY
Non polymer #2
A1L0O
InChI=1S/C16H17O6P/c17-16(18)14-6-8-15(9-7-14)23(19,20)22-11-10-21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,18)(H,19,20)
InChI=1S/C16H17O6P/c17-16(18)14-6-8-15(9-7-14)23(19,20)22-11-10-21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,18)(H,19,20)
SMILES: c1ccc(cc1)COCCOP(=O)(c2ccc(cc2)C(=O)O)O
c1ccc(cc1)COCCOP(=O)(c2ccc(cc2)C(=O)O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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