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4XEW

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BAdenosylmethionine-8-amino-7-oxononanoate aminotransferasepolymer45748536.52UniProt (P9WQ81)
Pfam (PF00202)
In PDB
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)7,8-diamino-pelargonic acid aminotransferase,DAPA aminotransferase,8-diaminononanoate synthase,DANS,Diaminopelargonic acid synthase
2A, BPYRIDOXAL-5'-PHOSPHATEnon-polymer247.12Chemie (PLP)
3A, B6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-onenon-polymer283.32Chemie (40N)
4waterwater18.0212Chemie (HOH)
Sequence modifications
A, B: 1 - 437 (UniProt: P9WQ81)
PDBExternal DatabaseDetails
Met -19-initiating methionine
Gly -18-expression tag
Ser -17-expression tag
Ser -16-expression tag
His -15-expression tag
His -14-expression tag
His -13-expression tag
His -12-expression tag
His -11-expression tag
His -10-expression tag
Ser -9-expression tag
Ser -8-expression tag
Gly -7-expression tag
Leu -6-expression tag
Val -5-expression tag
Pro -4-expression tag
Arg -3-expression tag
Gly -2-expression tag
Ser -1-expression tag
His 0-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight97073.0
Non-Polymers*Number of molecules4
Total formula weight1060.8
All*Total formula weight98133.8
*Water molecules are not included.

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PDB entries from 2024-06-12

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