eF-site ID 5eyu-B PDB Code 5eyu Chain B click to enlarge Title 1.72 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 Classification OXIDOREDUCTASE Compound Betaine aldehyde dehydrogenase Source Staphylococcus aureus (Q9L4P8_STAAU) Sequence B:  HLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGTK EDAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKE HREALARLETLDTGKTLEESYADMDDIHNVFMYFAGLADK DGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYPLLQASW KIAPALATGCSLVMKPSEITPLTTIRVFELMEEVGFPKGT INLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKNA ANNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHA GQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLGNGFDAD TEMGPVISTEHRNKIESYMDVAKAEGATIAVGGKRPDRDD LKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVEGFETEQ EAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWIN DFHMYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTN TNPQLVNWFSK Description Functional site 1) chain B residue 249 type sequence V description binding site for residue NA A 502 source : AC2 2) chain B residue 266 type sequence D description binding site for residue EPE A 504 source : AC4 3) chain B residue 267 type sequence D description binding site for residue EPE A 504 source : AC4 4) chain B residue 425 type sequence K description binding site for residue EPE A 504 source : AC4 5) chain B residue 153 type sequence I description binding site for residue NAD B 501 source : AC6 6) chain B residue 154 type sequence T description binding site for residue NAD B 501 source : AC6 7) chain B residue 155 type sequence P description binding site for residue NAD B 501 source : AC6 8) chain B residue 156 type sequence W description binding site for residue NAD B 501 source : AC6 9) chain B residue 157 type sequence N description binding site for residue NAD B 501 source : AC6 10) chain B residue 180 type sequence K description binding site for residue NAD B 501 source : AC6 11) chain B residue 182 type sequence S description binding site for residue NAD B 501 source : AC6 12) chain B residue 183 type sequence E description binding site for residue NAD B 501 source : AC6 13) chain B residue 213 type sequence G description binding site for residue NAD B 501 source : AC6 14) chain B residue 217 type sequence G description binding site for residue NAD B 501 source : AC6 15) chain B residue 218 type sequence D description binding site for residue NAD B 501 source : AC6 16) chain B residue 231 type sequence F description binding site for residue NAD B 501 source : AC6 17) chain B residue 233 type sequence G description binding site for residue NAD B 501 source : AC6 18) chain B residue 234 type sequence G description binding site for residue NAD B 501 source : AC6 19) chain B residue 237 type sequence T description binding site for residue NAD B 501 source : AC6 20) chain B residue 240 type sequence H description binding site for residue NAD B 501 source : AC6 21) chain B residue 241 type sequence I description binding site for residue NAD B 501 source : AC6 22) chain B residue 255 type sequence E description binding site for residue NAD B 501 source : AC6 23) chain B residue 257 type sequence G description binding site for residue NAD B 501 source : AC6 24) chain B residue 289 type sequence X description binding site for residue NAD B 501 source : AC6 25) chain B residue 336 type sequence H description binding site for residue NAD B 501 source : AC6 26) chain B residue 390 type sequence E description binding site for residue NAD B 501 source : AC6 27) chain B residue 392 type sequence F description binding site for residue NAD B 501 source : AC6 28) chain B residue 460 type sequence K description binding site for residue NA B 502 source : AC7 29) chain B residue 463 type sequence G description binding site for residue NA B 502 source : AC7 30) chain B residue 29 type sequence I description binding site for residue NA B 503 source : AC8 31) chain B residue 97 type sequence D description binding site for residue NA B 503 source : AC8 32) chain B residue 184 type sequence I description binding site for residue NA B 503 source : AC8 33) chain B residue 8 type sequence S description binding site for residue EPE B 504 source : AC9 34) chain B residue 17 type sequence W description binding site for residue EPE B 504 source : AC9 35) chain B residue 191 type sequence R description binding site for residue EPE B 504 source : AC9 36) chain B residue 194 type sequence E description binding site for residue EPE B 504 source : AC9 37) chain B residue 198 type sequence E description binding site for residue EPE B 504 source : AC9 38) chain B residue 492 type sequence N description binding site for residue EPE B 505 source : AD1 39) chain B residue 493 type sequence W description binding site for residue EPE B 505 source : AD1 40) chain B residue 450 type sequence Y description binding site for residue PGE B 506 source : AD2 41) chain B residue 362 type sequence D description binding site for residue EPE C 504 source : AD6

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