2024-05-11_00000230
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ligand
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8SRL
Crystal structure of T151V CAO1 in complex with piceatannol;
X-ray diffraction 2.01Å
Protein #1
526 residues (95% resolved)
Raw Sequence ...
MAEYVFSDAPKDSHGNGVKDAVPGKQPEELPPAPRYFQGENTAGFMRPVRFEGDITNLEVVGEIPKSIEGTFYRVMPEPHLPSFIPNDPWFNGDGNISGFYFKDGHVDLKQRYVRTEKFVREAEARRSLLGKYRNRYTDLVEFKIRSTANVNIVYWRGQLLALKEDSPPYAMDPETLETFGVYDFDGQLPSLTFTAHPKFDPVTREMVCFGYEAKGDGTRDICYYSFGPDGKIAETVWLVSPVCGMIHDFAVTENFVIFPIIPLVCDVERMKQGGDHWQWDYSIPMYIGVLPRRGAQGSDVKWFEAPHGFAGHVANAFEDDKGHIQLQMAYAKDNVFFWWPDANGKGPRPGEVEAHFANFVLDYQSDKLPLAEPTYLVDDDMEFPRIDDRVATRKHKHTFFCIFDRKPGVTDFEFVMPRAGGGAPMSNGLAHLNHETGDIQRYLPGPRKLTGECIFIPRNSEAAEGDGYVMVLLANYEDMCSELAVLDTKDLTNEVALIKLPVRLRPGLHGNWVDKSDVDGHPAPL
Canonical Sequence ...
MAEYVFSDAPKDSHGNGVKDAVPGKQPEELPPAPRYFQGENTAGFMRPVRFEGDITNLEVVGEIPKSIEGTFYRVMPEPHLPSFIPNDPWFNGDGNISGFYFKDGHVDLKQRYVRTEKFVREAEARRSLLGKYRNRYTDLVEFKIRSTANVNIVYWRGQLLALKEDSPPYAMDPETLETFGVYDFDGQLPSLTFTAHPKFDPVTREMVCFGYEAKGDGTRDICYYSFGPDGKIAETVWLVSPVCGMIHDFAVTENFVIFPIIPLVCDVERMKQGGDHWQWDYSIPMYIGVLPRRGAQGSDVKWFEAPHGFAGHVANAFEDDKGHIQLQMAYAKDNVFFWWPDANGKGPRPGEVEAHFANFVLDYQSDKLPLAEPTYLVDDDMEFPRIDDRVATRKHKHTFFCIFDRKPGVTDFEFVMPRAGGGAPMSNGLAHLNHETGDIQRYLPGPRKLTGECIFIPRNSEAAEGDGYVMVLLANYEDMCSELAVLDTKDLTNEVALIKLPVRLRPGLHGNWVDKSDVDGHPAPL
Non polymer #2
BEZ
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
SMILES: c1ccc(cc1)C(=O)O
c1ccc(cc1)C(=O)O
Non polymer #3
FE2
InChI=1S/Fe/q+2
InChI=1S/Fe/q+2
SMILES: [Fe+2]
[Fe+2]
Non polymer #4
PIT
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
SMILES: c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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