2025-01-11_00000267
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ligand
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9D2H
Stigmatella aurantica bacteriophytochrome protein 2 (SaBphP2), photosensory core module, investigated at ESRF(EBS) ID29. Dark Structure.;
X-ray diffraction 2.10Å
Protein #1
490 residues (98% resolved)
Raw Sequence ...
MPPSVSELDLSQCDREPIHLLGGIQSHGVLLAFRGPDRLLEVVSANAQALLGRPPETLLGQPVGRVLPAEVLAQWEPLVARGSVRVVLPAGAYRALLHESDGLTVLELEPAELQPGMEETALEVVRRLVSPLAGVKGTQALLQTAADTVRALTGFDRVMVYRFDADWHGEVLAESKRGGMDGFLGMHFPATDIPVQARALYTRNPLRLIADARARPVPLLPPVVPALGRPLDLSNSALRSVSPVHLEYLRNMGVGASFSLSLLKEGVLWGLIACHHLEPLHISHERRRACEVLTQLLALQLSAEERAAEASEDAHRAALLGQLATAMGEGGTLEEVLEKESERVLALTGAAGVALLLGEEPLLVGCTPAQDEVEALVAWLATQPFQTSFHTDRLGTVYPPLAARADVAAGILAVRLAPAAARFAIWFRPEVARTISWAGNPRKPAEPEPGHQRLHPRGSFQAWEETVRDTSLPWKRADLGAAEGFRGALV
Canonical Sequence ...
MPPSVSELDLSQCDREPIHLLGGIQSHGVLLAFRGPDRLLEVVSANAQALLGRPPETLLGQPVGRVLPAEVLAQWEPLVARGSVRVVLPAGAYRALLHESDGLTVLELEPAELQPGMEETALEVVRRLVSPLAGVKGTQALLQTAADTVRALTGFDRVMVYRFDADWHGEVLAESKRGGMDGFLGMHFPATDIPVQARALYTRNPLRLIADARARPVPLLPPVVPALGRPLDLSNSALRSVSPVHLEYLRNMGVGASFSLSLLKEGVLWGLIACHHLEPLHISHERRRACEVLTQLLALQLSAEERAAEASEDAHRAALLGQLATAMGEGGTLEEVLEKESERVLALTGAAGVALLLGEEPLLVGCTPAQDEVEALVAWLATQPFQTSFHTDRLGTVYPPLAARADVAAGILAVRLAPAAARFAIWFRPEVARTISWAGNPRKPAEPEPGHQRLHPRGSFQAWEETVRDTSLPWKRADLGAAEGFRGALV
Non polymer #2
BEN
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
SMILES: [H]/N=C(c1ccccc1)/N
[H]/N=C(c1ccccc1)/N
Non polymer #3
BLA
InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
SMILES: Cc1c(c([nH]c1C=C/2C(=C(C(=O)N2)C=C)C)C=C/3C(=C(C(=N3)C=C/4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
Cc1c(c([nH]c1C=C/2C(=C(C(=O)N2)C=C)C)C=C/3C(=C(C(=N3)C=C/4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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