2024-11-02_00000257
|
ligand
|
8Z2J
Substrate analog a012 bound form of PET-degrading cutinase mutant Cut190**SS_S176A;
X-ray diffraction 1.89Å
Protein #1
260 residues (100% resolved)
Raw Sequence ...
GPNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRETDEGTFGAVAVAPGFTASQGSMSWYGERVASHGFIVFTIDTNTRLDAPGQRGRQLLAALDYLVERSDRKVRERLDPNRLAVMGHAMGGGGSLEATVMRPSLKASIPLTPWHLDKTWGQVQVPTFIIGAELDTIAPVSTHAKPFYESLPSSLPKAYMELCGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTDRAICEYRSTCPY
Canonical Sequence ...
GPNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRETDEGTFGAVAVAPGFTASQGSMSWYGERVASHGFIVFTIDTNTRLDAPGQRGRQLLAALDYLVERSDRKVRERLDPNRLAVMGHAMGGGGSLEATVMRPSLKASIPLTPWHLDKTWGQVQVPTFIIGAELDTIAPVSTHAKPFYESLPSSLPKAYMELCGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTDRAICEYRSTCPY
Non polymer #2
A1L0M
InChI=1S/C17H19O6P/c1-21-17(18)15-7-9-16(10-8-15)24(19,20)23-12-11-22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)
InChI=1S/C17H19O6P/c1-21-17(18)15-7-9-16(10-8-15)24(19,20)23-12-11-22-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)
SMILES: COC(=O)c1ccc(cc1)P(=O)(O)OCCOCc2ccccc2
COC(=O)c1ccc(cc1)P(=O)(O)OCCOCc2ccccc2
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #5
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #6
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%