2024-09-07_00000356|medium|9J8E

Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor; X-ray diffraction 2.65Å

Protein #1 302 residues (98% resolved)

Raw Sequence ...

MMNFTLLTYLADCQPKVRSELEKFSKNLEEDIQQLREIGLDILVDGQDYRLVPMLPLLNPQQISTALFPYSIHYQPIISSTNEWILQNILSLKKGDLCVAEYQTAGRGRRGRQWLSPFAGQIMFSFYWAFDPKKSIEGLSLVIGLAIAEVLNVQVKWPNDILFDERKLGGILVEIANHKNGMLNLVIGIGINVSLSKQTEISQPYAEVCEIDPDVERQTLLPKLIQHLYTRLNIFEQNGIDEEFQQAWQSYNAFSNSEINVLTEQGVISGIEQGIDERGYLKVLCGNKIQMFNGGEVSLRKK

Canonical Sequence ...

Non polymer #2 BT5

InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1

InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N

Biounit #1 monomer

Biounit #2 monomer

Reference