2025-11-15_00000143
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hard
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9KKT
Structure-guided interface engineering for modifying substrate binding and catalytic activity of 2-keto-3-deoxy-D-xylonate dehydratase;
X-ray diffraction 2.01Å
Protein #1
383 residues (100% resolved)
Raw Sequence ...
GVSEFLPEDWKAATLLGRIDFGEGPTPVLVRGGRVEDVSKIAPTVADLMNAFQPGAVIPRGEDKGPLEALDIRPVWEDPDGAAPVKLLAPVDLQCLKAAGVTFAVSTLERVIEERARGDAGEALKIRTLLAERMGGDLKSVEPGSQGAQRLKDALIADGLWSQYLEVAIGPDAEIFTKGPTLSSMGWGDQVGVRYDSHWNNPEPEVVLLCDGSGLIRGAALGNDVNLRDFEGRSALLLSKAKDNNASCAIGPFFRLFDETFGLDDVRSAEVELKITGRDNFVLDGKSNMSLISRDPAVLAGQAYGKQHQYPDGFALFLGTMFAPIQDRDTPGQGFTHKVGDRVRVSTPKLGVLENEVTTCDKAKPWTFGISALIRNLAGRGLL
Canonical Sequence ...
GVSEFLPEDWKAATLLGRIDFGEGPTPVLVRGGRVEDVSKIAPTVADLMNAFQPGAVIPRGEDKGPLEALDIRPVWEDPDGAAPVKLLAPVDLQCLKAAGVTFAVSTLERVIEERARGDAGEALKIRTLLAERMGGDLKSVEPGSQGAQRLKDALIADGLWSQYLEVAIGPDAEIFTKGPTLSSMGWGDQVGVRYDSHWNNPEPEVVLLCDGSGLIRGAALGNDVNLRDFEGRSALLLSKAKDNNASCAIGPFFRLFDETFGLDDVRSAEVELKITGRDNFVLDGKSNMSLISRDPAVLAGQAYGKQHQYPDGFALFLGTMFAPIQDRDTPGQGFTHKVGDRVRVSTPKLGVLENEVTTCDKAKPWTFGISALIRNLAGRGLL
Non polymer #2
COI
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
SMILES: CC(C)CC(=O)C(=O)O
CC(C)CC(=O)C(=O)O
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
TRS
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
SMILES: C(C(CO)(CO)[NH3+])O
C(C(CO)(CO)[NH3+])O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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