7DQ6

Crystal structure of HitB in complex with (S)-beta-3-Br-phenylalanine sulfamoyladenosine

Summary for 7DQ6

Entry DOI	10.2210/pdb7dq6/pdb
Descriptor	Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate, CALCIUM ION, ... (4 entities in total)
Functional Keywords	hitachimycin, polyketide biosynthesis, atp binding, adenylation, ligase
Biological source	Embleya scabrispora
Total number of polymer chains	2
Total formula weight	120574.33
Authors	Kudo, F.,Takahashi, S.,Miyanaga, A.,Nakazawa, Y.,Eguchi, T. (deposition date: 2020-12-22, release date: 2021-03-03, Last modification date: 2023-11-29)
Primary citation	Kudo, F.,Takahashi, S.,Miyanaga, A.,Nakazawa, Y.,Nishino, K.,Hayakawa, Y.,Kawamura, K.,Ishikawa, F.,Tanabe, G.,Iwai, N.,Nagumo, Y.,Usui, T.,Eguchi, T. Mutational Biosynthesis of Hitachimycin Analogs Controlled by the beta-Amino Acid-Selective Adenylation Enzyme HitB. Acs Chem.Biol., 16:539-547, 2021 Cited by PubMed: 33625847 DOI: 10.1021/acschembio.1c00003 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation