2024-08-10_00000057|ligand|8Q22

Crystal structure of Vanadium-dependent haloperoxidase R425S mutant in complex with 1,3,5-trimethoxybenzene (A. marina); X-ray diffraction 3.30Å
Protein #1 666 residues (96% resolved)

MGSSHHHHHHHHSSGLEVLFQGPLGSHMNTRRQQAQNIRNNAAELAANRPHPQHINNKEEYEYRRPKKDGNEPSHIANFTKGLPHDEHTGLLLNSADYDQFVLGIQSGDTTDFARTPLGPAELPKVHGCLSKQKIDCDDDHRSGFWKSQIAQGAAGGDGAKLRAWESAGAGLVFDLEGPDAQAVTMPPAPRLESPELTSEIAEVYSQALLRDIHFSQLRDPGLGDQVNACDSCPTQLSIYEAIDILNTVQIEGQNWFSANCCDLTDDEQARQRPLVTRQNIFRGIAPGDDVGPYLSQFLLIGNNALGGGVFGQEAGHIGYGAIRIDQRVRKATPCKDFMTNFETWLDVQNGADLRGLETYVDADPGKCREFPAYRVITTPRDLATYVHYDALYEAYLNACLILLGMGAPFDPGIPFQKPDVEDKQQGFAHFGGPQILTLVCEAATRGLKAVSFQKFNVHRRLRPEALGGLVDRYKHGKGAGDELKPVAALVEALENVGLLSKVVAHNQLQNQNLDRSGDPSSAGDNYFLPMAFPEGSPMHPSYGAGHATVAGACVTMLKAFFDHGWQLNLGMANGKYISYEPNQDGSSLQQVLLDCPLTVEGELNKIAANISIGRDWAGVHYFTDYIESLRLGEKIAIGILEEQKLTYGENFTMTVPLYDGGSIQI

MGSSHHHHHHHHSSGLEVLFQGPLGSHMNTRRQQAQNIRNNAAELAANRPHPQHINNKEEYEYRRPKKDGNEPSHIANFTKGLPHDEHTGLLLNSADYDQFVLGIQSGDTTDFARTPLGPAELPKVHGCLSKQKIDCDDDHRSGFWKSQIAQGAAGGDGAKLRAWESAGAGLVFDLEGPDAQAVTMPPAPRLESPELTSEIAEVYSQALLRDIHFSQLRDPGLGDQVNACDSCPTQLSIYEAIDILNTVQIEGQNWFSANCCDLTDDEQARQRPLVTRQNIFRGIAPGDDVGPYLSQFLLIGNNALGGGVFGQEAGHIGYGAIRIDQRVRKATPCKDFMTNFETWLDVQNGADLRGLETYVDADPGKCREFPAYRVITTPRDLATYVHYDALYEAYLNACLILLGMGAPFDPGIPFQKPDVEDKQQGFAHFGGPQILTLVCEAATRGLKAVSFQKFNVHRRLRPEALGGLVDRYKHGKGAGDELKPVAALVEALENVGLLSKVVAHNQLQNQNLDRSGDPSSAGDNYFLPMAFPEGSPMHPSYGAGHATVAGACVTMLKAFFDHGWQLNLGMANGKYISYEPNQDGSSLQQVLLDCPLTVEGELNKIAANISIGRDWAGVHYFTDYIESLRLGEKIAIGILEEQKLTYGENFTMTVPLYDGGSIQI
Non polymer #2 ILW

InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3

COc1cc(cc(c1)OC)OC
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
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-]
Download coordinates
Reference