2025-07-05_00000155
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ligand
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9HDG
The structure of the catalytic domain of AfAA11B from the filamentous fungus Aspergillus fumigatus;
X-ray diffraction 1.26Å
Protein #1
219 residues (90% resolved)
Raw Sequence ...
HMKMRQPTPYSDSSLNNSPLAADGSDFPCKLRDNAFVPPSQETIAQIGEVMPLTFTGSATHGGGSCQVSLTTDLKPSKDSKWMVIKSIEGGCPANVDGNMSGGADVPDPFEFNYTIPAGIEPGKYTLAWTWFNRIGNREMYMNCAPITVTAGSSKRDAAPVAEKVEVEKRSANFPAMFVANINGCTTKEGVDIRFPDPGDVVEYDGNPSNLQPAGEAAC
Canonical Sequence ...
HMKMRQPTPYSDSSLNNSPLAADGSDFPCKLRDNAFVPPSQETIAQIGEVMPLTFTGSATHGGGSCQVSLTTDLKPSKDSKWMVIKSIEGGCPANVDGNMSGGADVPDPFEFNYTIPAGIEPGKYTLAWTWFNRIGNREMYMNCAPITVTAGSSKRDAAPVAEKVEVEKRSANFPAMFVANINGCTTKEGVDIRFPDPGDVVEYDGNPSNLQPAGEAAC
Non polymer #2
ASC
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
SMILES: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
Non polymer #3
CU
InChI=1S/Cu/q+2
InChI=1S/Cu/q+2
SMILES: [Cu+2]
[Cu+2]
Non polymer #4
NAG
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
monomer
Download coordinates
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Model
Reference
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