eF-site ID 5ez4-A PDB Code 5ez4 Chain A click to enlarge Title 2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 Classification OXIDOREDUCTASE Compound Betaine aldehyde dehydrogenase Source Staphylococcus aureus (Q9L4P8_STAAU) Sequence A:  MELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTV SEGTKEDAERAILAARRAFESGEWSQETAETRGKKVRAIA DKIKEHREALARLETLDTGKTLEESYADMDDIHNVFMYFA GLADKDGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYPL LQASWKIAPALATGCSLVMKPSEITPLTTIRVFELMEEVG FPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKH IMKNAANNVTNIALELGGKNPNIIFDDADFELAVDQALNG GYFHAGQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLGN GFDADTEMGPVISTEHRNKIESYMDVAKAEGATIAVGGKR PDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVEG FETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLG TVWINDFHMLFAQAPWGGYKQSGIGRELGKEGLEEYLVSK HILTNTNPQLVNWFSK Description Functional site 1) chain A residue 153 type sequence I description binding site for residue NAD A 501 source : AC1 2) chain A residue 154 type sequence T description binding site for residue NAD A 501 source : AC1 3) chain A residue 155 type sequence P description binding site for residue NAD A 501 source : AC1 4) chain A residue 156 type sequence W description binding site for residue NAD A 501 source : AC1 5) chain A residue 157 type sequence N description binding site for residue NAD A 501 source : AC1 6) chain A residue 162 type sequence Q description binding site for residue NAD A 501 source : AC1 7) chain A residue 180 type sequence K description binding site for residue NAD A 501 source : AC1 8) chain A residue 182 type sequence S description binding site for residue NAD A 501 source : AC1 9) chain A residue 183 type sequence E description binding site for residue NAD A 501 source : AC1 10) chain A residue 213 type sequence G description binding site for residue NAD A 501 source : AC1 11) chain A residue 217 type sequence G description binding site for residue NAD A 501 source : AC1 12) chain A residue 218 type sequence D description binding site for residue NAD A 501 source : AC1 13) chain A residue 231 type sequence F description binding site for residue NAD A 501 source : AC1 14) chain A residue 233 type sequence G description binding site for residue NAD A 501 source : AC1 15) chain A residue 234 type sequence G description binding site for residue NAD A 501 source : AC1 16) chain A residue 237 type sequence T description binding site for residue NAD A 501 source : AC1 17) chain A residue 240 type sequence H description binding site for residue NAD A 501 source : AC1 18) chain A residue 241 type sequence I description binding site for residue NAD A 501 source : AC1 19) chain A residue 255 type sequence E description binding site for residue NAD A 501 source : AC1 20) chain A residue 257 type sequence G description binding site for residue NAD A 501 source : AC1 21) chain A residue 289 type sequence X description binding site for residue NAD A 501 source : AC1 22) chain A residue 339 type sequence K description binding site for residue NAD A 501 source : AC1 23) chain A residue 390 type sequence E description binding site for residue NAD A 501 source : AC1 24) chain A residue 392 type sequence F description binding site for residue NAD A 501 source : AC1 25) chain A residue 460 type sequence K description binding site for residue NA A 502 source : AC2 26) chain A residue 463 type sequence G description binding site for residue NA A 502 source : AC2 27) chain A residue 448 type sequence H description binding site for residue PGE A 503 source : AC3 28) chain A residue 8 type sequence S description binding site for residue EPE A 504 source : AC4 29) chain A residue 17 type sequence W description binding site for residue EPE A 504 source : AC4 30) chain A residue 191 type sequence R description binding site for residue EPE A 504 source : AC4 31) chain A residue 194 type sequence E description binding site for residue EPE A 504 source : AC4 32) chain A residue 197 type sequence E description binding site for residue EPE A 504 source : AC4 33) chain A residue 198 type sequence E description binding site for residue EPE A 504 source : AC4 34) chain A residue 492 type sequence N description binding site for residue EPE A 505 source : AC5 35) chain A residue 493 type sequence W description binding site for residue EPE A 505 source : AC5 36) chain A residue 494 type sequence F description binding site for residue EPE A 505 source : AC5 37) chain A residue 495 type sequence S description binding site for residue EPE A 505 source : AC5 38) chain A residue 496 type sequence K description binding site for residue EPE A 505 source : AC5 39) chain A residue 249 type sequence V description binding site for residue NA B 502 source : AC7 40) chain A residue 266 type sequence D description binding site for residue EPE B 504 source : AC9 41) chain A residue 425 type sequence K description binding site for residue EPE B 504 source : AC9 42) chain A residue 103 type sequence E description binding site for residue EPE B 505 source : AD1 43) chain A residue 324 type sequence A description binding site for residue EPE B 505 source : AD1 44) chain A residue 326 type sequence T description binding site for residue EPE B 505 source : AD1 45) chain A residue 327 type sequence E description binding site for residue EPE B 505 source : AD1 46) chain A residue 282-293 type prosite sequence YFHAGQVXSAGS description ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YfHAGQVCSAGS source prosite : PS00070 47) chain A residue 254-261 type prosite sequence LELGGKNP description ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKNP source prosite : PS00687

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