2024-05-04_00000340|ligand|9BKZ

Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (CoA and ADP bound); X-ray diffraction 2.35Å
Protein #1 214 residues (93% resolved)

MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP

MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP
Non polymer #2 ADP

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #3 COA

InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
Non polymer #4 MPD

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1

C[C@@H](CC(C)(C)O)O
Download coordinates
Download coordinates
Reference