2025-09-20_00000265
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ligand
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9W2C
Crystal structure of Aedes aegypti Dopachrome Conversion Enzyme with L-Dopamine.;
X-ray diffraction 3.39Å
Protein #1
463 residues (86% resolved)
Raw Sequence ...
MLRLVFLCVVAFAALTVVSGQRQVEEVLKWQQVEFDVPASVLSAPDGYIPINNIPMSGVHYKNRVFVTVPRRRWGIPSTLNVVELEPPYPVTNPVLKPYPSFELNELRADLQPDANRLVTVYRPRVDRCDRLWFVDTGMMEIPGNFTVVQRPSIWSIDLKTNQPLSRYEIPQKDVETGYGLTSITLDVDPDDCSKVFVYISDLQTYRMVVYDHENQKSWRFLHNYFFLNPLEGDFNIQGIPFAWDDGIFSIALSNPDPMTKFRTAYFHALSSNSEFTVSTAVLRNETASKRGYHGDDFKLLGYRGAQSQSSIHGFHPETGVIFFALIQLNAVSCWDTRKPFAPQNMAIVYKNDRDIIYPNDLSIDQEGNVWFMSNSIIKLLYTQLSLEEFNFHIWRANIKEIIKGTVCDPTVPPNVDHGQRFGGEQNADRVTFVEYKDKYGPGGGPYGGWGSDDKRKPTGRRP
Canonical Sequence ...
MLRLVFLCVVAFAALTVVSGQRQVEEVLKWQQVEFDVPASVLSAPDGYIPINNIPMSGVHYKNRVFVTVPRRRWGIPSTLNVVELEPPYPVTNPVLKPYPSFELNELRADLQPDANRLVTVYRPRVDRCDRLWFVDTGMMEIPGNFTVVQRPSIWSIDLKTNQPLSRYEIPQKDVETGYGLTSITLDVDPDDCSKVFVYISDLQTYRMVVYDHENQKSWRFLHNYFFLNPLEGDFNIQGIPFAWDDGIFSIALSNPDPMTKFRTAYFHALSSNSEFTVSTAVLRNETASKRGYHGDDFKLLGYRGAQSQSSIHGFHPETGVIFFALIQLNAVSCWDTRKPFAPQNMAIVYKNDRDIIYPNDLSIDQEGNVWFMSNSIIKLLYTQLSLEEFNFHIWRANIKEIIKGTVCDPTVPPNVDHGQRFGGEQNADRVTFVEYKDKYGPGGGPYGGWGSDDKRKPTGRRP
Non polymer #2
ACY
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
SMILES: CC(=O)O
CC(=O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
LDP
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
SMILES: c1cc(c(cc1CCN)O)O
c1cc(c(cc1CCN)O)O
Non polymer #5
NDG
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
Biounit #1
hetero-4-1-1-1-1-1-1-1-mer
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Model
Reference
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