2024-07-06_00000018
|
hard
|
8HZV
The crystal structure of a Radical SAM Enzyme DesII;
X-ray diffraction 2.33Å
Protein #1
493 residues (97% resolved)
Raw Sequence ...
MTAPALSATAPAERCAHPGADLGAAVHAVGQTLAAGGLVPPDEAGTTARHLVRLAVRYGNSPFTPLEEARHDLGVDRDAFRRLLALFGQVPELRTAVETGPAGAYWKNTLLPLEQRGVFDAALARKPVFPYSVGLYPGPTCMFRCHFCVRVTGARYDPSALDAGNAMFRSVIDEIPAGNPSAMYFSGGLEPLTNPGLGSLAAHATDHGLRPTVYTNSFALTERTLERQPGLWGLHAIRTSLYGLNDEEYEQTTGKKAAFRRVRENLRRFQQLRAERESPINLGFAYIVLPGRASRLLDLVDFIADLNDAGQGRTIDFVNIREDYSGRDDGKLPQEERAELQEALNAFEERVRERTPGLHIDYGYALNSLRTGADAELLRIKPATMRPTAHPQVAVQVDLLGDVYLYREAGFPDLDGATRYIAGRVTPDTSLTEVVRDFVERGGEVAAVDGDEYFMDGFDQVVTARLNQLERDAADGWEEARGFLRLEHHHHHH
Canonical Sequence ...
MTAPALSATAPAERCAHPGADLGAAVHAVGQTLAAGGLVPPDEAGTTARHLVRLAVRYGNSPFTPLEEARHDLGVDRDAFRRLLALFGQVPELRTAVETGPAGAYWKNTLLPLEQRGVFDAALARKPVFPYSVGLYPGPTCMFRCHFCVRVTGARYDPSALDAGNAMFRSVIDEIPAGNPSAMYFSGGLEPLTNPGLGSLAAHATDHGLRPTVYTNSFALTERTLERQPGLWGLHAIRTSLYGLNDEEYEQTTGKKAAFRRVRENLRRFQQLRAERESPINLGFAYIVLPGRASRLLDLVDFIADLNDAGQGRTIDFVNIREDYSGRDDGKLPQEERAELQEALNAFEERVRERTPGLHIDYGYALNSLRTGADAELLRIKPATMRPTAHPQVAVQVDLLGDVYLYREAGFPDLDGATRYIAGRVTPDTSLTEVVRDFVERGGEVAAVDGDEYFMDGFDQVVTARLNQLERDAADGWEEARGFLRLEHHHHHH
Non polymer #2
MET
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
SMILES: CSCC[C@@H](C(=O)O)N
CSCC[C@@H](C(=O)O)N
Non polymer #3
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #4
SAM
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
SMILES: C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Non polymer #5
SF4
InChI=1S/4Fe.4S
InChI=1S/4Fe.4S
SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Biounit #1
homo-tetramer
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Model
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