eF-site ID 4qto-B PDB Code 4qto Chain B click to enlarge Title 1.65 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-modified Cys289 and PEG molecule in active site Classification OXIDOREDUCTASE Compound Betaine aldehyde dehydrogenase Source (Q5HCU0_STAAC) Sequence B:  AMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEVIFT VSEGTKEDAERAILAARRAFESGEWSQETAETRGKKVRAI ADKIKEHREALARLETLDTGKTLEESYADMDDIHNVFMYF AGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYP LLQASWKIAPALATGCSLVMKPSEITPLTTIRVFELMEEV GFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIETGK HIMKNAANNVTNIALELGGKNPNIIFDDADFELAVDQALN GGYFHAGQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLG NGFDADTEMGPVISTEHRNKIESYMDVAKAEGATIAVGGK RPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVE GFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKL GTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLEEYLVS KHILTNTNPQLVNWFSK Description Functional site 1) chain B residue 249 type sequence V description BINDING SITE FOR RESIDUE NA A 501 source : AC1 2) chain B residue 267 type sequence D description BINDING SITE FOR RESIDUE PEG A 504 source : AC4 3) chain B residue 268 type sequence A description BINDING SITE FOR RESIDUE PEG A 504 source : AC4 4) chain B residue 493 type sequence W description BINDING SITE FOR RESIDUE TRS A 507 source : AC7 5) chain B residue 460 type sequence K description BINDING SITE FOR RESIDUE NA B 501 source : AC8 6) chain B residue 463 type sequence G description BINDING SITE FOR RESIDUE NA B 501 source : AC8 7) chain B residue 107 type sequence A description BINDING SITE FOR RESIDUE PGE B 502 source : AC9 8) chain B residue 158 type sequence Y description BINDING SITE FOR RESIDUE PGE B 502 source : AC9 9) chain B residue 448 type sequence H description BINDING SITE FOR RESIDUE PGE B 502 source : AC9 10) chain B residue 450 type sequence Y description BINDING SITE FOR RESIDUE PGE B 502 source : AC9 11) chain B residue 66 type sequence Q description BINDING SITE FOR RESIDUE PEG B 503 source : BC1 12) chain B residue 67 type sequence E description BINDING SITE FOR RESIDUE PEG B 503 source : BC1 13) chain B residue 289 type sequence X description BINDING SITE FOR RESIDUE PEG B 504 source : BC2 14) chain B residue 336 type sequence H description BINDING SITE FOR RESIDUE PEG B 504 source : BC2 15) chain B residue 339 type sequence K description BINDING SITE FOR RESIDUE PEG B 504 source : BC2 16) chain B residue 392 type sequence F description BINDING SITE FOR RESIDUE PEG B 504 source : BC2 17) chain B residue 103 type sequence E description BINDING SITE FOR RESIDUE TRS B 505 source : BC3 18) chain B residue 324 type sequence A description BINDING SITE FOR RESIDUE TRS B 505 source : BC3 19) chain B residue 326 type sequence T description BINDING SITE FOR RESIDUE TRS B 505 source : BC3

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