2024-01-20_00000087
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medium
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8CH1
PBP AccA from A. vitis S4 in complex with Agrocinopine A;
X-ray diffraction 1.50Å
Protein #1
499 residues (96% resolved)
Raw Sequence ...
SAERRALKIGVNGIPVTLEPINAISNVGPRIVNQIFDTLVVRDFFSNGAPGNGINLMPSLAESWERIDDKSVRFKLRQKVMFHDGVEMTADDVAYTFSSERLWGPDAIKVIPLGGSYALDFDEPVVEDKYTVVIRTKTPTPLTESYMASWMGRIVPKAYYKTLGTAAFGNKPVGTGPYKFVEFVANDRVVIEANDAYWGLKPTASKITYQLVAEPATRVAGLISGEYDIVTTLTPDDMALINSYPDLETRGNIVENFHMFTFNMNQPVFQSKPLRRALALAVNRPLIVQSLWMNKATIPNGFNFPNYGKTFDPNRRAMEYNIEEAKRLVKESGYDGTPITYHTMGNYYANAVPALMMMIEMWKQIGVTVVPKVYAPGGAPKDQDSYMRNWSNGQWMTDAWATMICEFGPKGQVQKRWGWKAPAEFNDLCTKVSQIPDSKERFDAFNRLRDIFEEEAPAVILYQPFDVYAARKDVHWRPISFEMMEFRNNLAFGHHHHHH
Canonical Sequence ...
SAERRALKIGVNGIPVTLEPINAISNVGPRIVNQIFDTLVVRDFFSNGAPGNGINLMPSLAESWERIDDKSVRFKLRQKVMFHDGVEMTADDVAYTFSSERLWGPDAIKVIPLGGSYALDFDEPVVEDKYTVVIRTKTPTPLTESYMASWMGRIVPKAYYKTLGTAAFGNKPVGTGPYKFVEFVANDRVVIEANDAYWGLKPTASKITYQLVAEPATRVAGLISGEYDIVTTLTPDDMALINSYPDLETRGNIVENFHMFTFNMNQPVFQSKPLRRALALAVNRPLIVQSLWMNKATIPNGFNFPNYGKTFDPNRRAMEYNIEEAKRLVKESGYDGTPITYHTMGNYYANAVPALMMMIEMWKQIGVTVVPKVYAPGGAPKDQDSYMRNWSNGQWMTDAWATMICEFGPKGQVQKRWGWKAPAEFNDLCTKVSQIPDSKERFDAFNRLRDIFEEEAPAVILYQPFDVYAARKDVHWRPISFEMMEFRNNLAFGHHHHHH
Non polymer #2
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #3
LAO
InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O
C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #5
VDF
InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1
InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O
C1[C@@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O
Biounit #1
hetero-1-2-mer
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Model
Reference
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