2024-01-13_00000165
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ligand
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8JU9
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence;
X-ray diffraction 2.00Å
Protein #1
280 residues (100% resolved)
Raw Sequence ...
MNLLQHIAQSRQQLRKSELKVADHVLNDPASVMHSSMAELAHGVGVSEPTIVRFCRAIGCSGFQDLKLKLAQSLAAGASFGQFSIHESDSVADFSLKIFDTTLHSLMEVREHLDTHALERAIAAIAHAQRVEFYGFGASGAVASDAQHKFFRLLLSAAAYSDPHMQAMSAVTLKPSDVAICISQSGRSKDLLITANLVREAGATLITLCPSQTPLADLATVNLAIDVHEDTDIYTPLTSRIAHLVVIDVLAMGVAMARGPDLVNHLKSVKRSLRSLRLSP
Canonical Sequence ...
MNLLQHIAQSRQQLRKSELKVADHVLNDPASVMHSSMAELAHGVGVSEPTIVRFCRAIGCSGFQDLKLKLAQSLAAGASFGQFSIHESDSVADFSLKIFDTTLHSLMEVREHLDTHALERAIAAIAHAQRVEFYGFGASGAVASDAQHKFFRLLLSAAAYSDPHMQAMSAVTLKPSDVAICISQSGRSKDLLITANLVREAGATLITLCPSQTPLADLATVNLAIDVHEDTDIYTPLTSRIAHLVVIDVLAMGVAMARGPDLVNHLKSVKRSLRSLRLSP
Non polymer #2
KDP
InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1
InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1
SMILES: C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
Non polymer #3
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 #4
PG5
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
SMILES: COCCOCCOCCOC
COCCOCCOCCOC
Biounit #1
homo-tetramer
Download coordinates
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Model
Reference
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