eF-site ID 4nea-ABCD PDB Code 4nea Chain A, B, C, D click to enlarge Title 1.90 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 Classification OXIDOREDUCTASE Compound Betaine aldehyde dehydrogenase Source (Q5HCU0_STAAC) Sequence A:  MHHHHHHSAMELLKHLSQRQYIDGEWVESANKNTRDIINP YNQEVIFTVSEGTKEDAERAILAARRAFESGEWSQETAET RGKKVRAIADKIKEHREALARLETLDTGKTLEESYADMDD IHNVFMYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVT QITPWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIR VFELMEEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSF TGGIETGKHIMKNAANNVTNIALELGGKNPNIIFDDADFE LAVDQALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALID RVKKIKLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEG ATIAVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEV FGPVVTVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQ RVANKLKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKE GLEEYLVSKHILTNTNPQLVNWFSK B:  QSNAMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEV IFTVSEGTKEDAERAILAARRAFESGEWSQETAETRGKKV RAIADKIKEHREALARLETLDTGKTLEESYADMDDIHNVF MYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQITPW NYPLLQASWKIAPALATGCSLVMKPSEITPLTTIRVFELM EEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIE TGKHIMKNAANNVTNIALELGGKNPNIIFDDADFELAVDQ ALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALIDRVKKI KLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEGATIAV GGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVV TVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANK LKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLEEY LVSKHILTNTNPQLVNWFSK C:  AMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQEVIFT VSEGTKEDAERAILAARRAFESGEWSQETAETRGKKVRAI ADKIKEHREALARLETLDTGKTLEESYADMDDIHNVFMYF AGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYP LLQASWKIAPALATGCSLVMKPSEITPLTTIRVFELMEEV GFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGGIETGK HIMKNAANNVTNIALELGGKNPNIIFDDADFELAVDQALN GGYFHAGQVCSAGSRILVQNSIKDKFEQALIDRVKKIKLG NGFDADTEMGPVISTEHRNKIESYMDVAKAEGATIAVGGK RPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVE GFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKL GTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLEEYLVS KHILTNTNPQLVNWFSK D:  YFQSNAMELLKHLSQRQYIDGEWVESANKNTRDIINPYNQ EVIFTVSEGTKEDAERAILAARRAFESGEWSQETAETRGK KVRAIADKIKEHREALARLETLDTGKTLEESYADMDDIHN VFMYFAGLADKDGGEMIDSPIPDTESKIVKEPVGVVTQIT PWNYPLLQASWKIAPALATGCSLVMKPSEITPLTTIRVFE LMEEVGFPKGTINLILGAGSEVGDVMSGHKEVDLVSFTGG IETGKHIMKNAANNVTNIALELGGKNPNIIFDDADFELAV DQALNGGYFHAGQVCSAGSRILVQNSIKDKFEQALIDRVK KIKLGNGFDADTEMGPVISTEHRNKIESYMDVAKAEGATI AVGGKRPDRDDLKDGLFFEPTVITNCDTSMRIVQEEVFGP VVTVEGFETEQEAIQLANDSIYGLAGAVFSKDIGKAQRVA NKLKLGTVWINDFHPYFAQAPWGGYKQSGIGRELGKEGLE EYLVSKHILTNTNPQLVNWFSK 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 180 type sequence K description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 7) chain A residue 182 type sequence S description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 8) chain A residue 183 type sequence E description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 9) chain A residue 212 type sequence A 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 232 type sequence T description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 15) chain A residue 233 type sequence G description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 16) chain A residue 234 type sequence G description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 17) chain A residue 237 type sequence T description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 18) chain A residue 240 type sequence H description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 19) chain A residue 241 type sequence I description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 20) chain A residue 255 type sequence E description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 21) chain A residue 257 type sequence G description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 22) chain A residue 289 type sequence C description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 23) chain A residue 336 type sequence H description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 24) chain A residue 390 type sequence E description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 25) chain A residue 392 type sequence F description BINDING SITE FOR RESIDUE NAD A 501 source : AC1 26) chain A residue 29 type sequence I description BINDING SITE FOR RESIDUE K A 502 source : AC2 27) chain A residue 97 type sequence D description BINDING SITE FOR RESIDUE K A 502 source : AC2 28) chain A residue 184 type sequence I description BINDING SITE FOR RESIDUE K A 502 source : AC2 29) chain A residue 460 type sequence K description BINDING SITE FOR RESIDUE K A 503 source : AC3 30) chain A residue 463 type sequence G description BINDING SITE FOR RESIDUE K A 503 source : AC3 31) chain C residue 249 type sequence V description BINDING SITE FOR RESIDUE K A 503 source : AC3 32) chain C residue 251 type sequence N description BINDING SITE FOR RESIDUE K A 503 source : AC3 33) chain A residue 249 type sequence V description BINDING SITE FOR RESIDUE K A 504 source : AC4 34) chain A residue 251 type sequence N description BINDING SITE FOR RESIDUE K A 504 source : AC4 35) chain C residue 460 type sequence K description BINDING SITE FOR RESIDUE K A 504 source : AC4 36) chain C residue 463 type sequence G description BINDING SITE FOR RESIDUE K A 504 source : AC4 37) chain A residue 474 type sequence E description BINDING SITE FOR RESIDUE K A 505 source : AC5 38) chain A residue 477 type sequence L description BINDING SITE FOR RESIDUE K A 505 source : AC5 39) chain A residue 224 type sequence K description BINDING SITE FOR RESIDUE K A 506 source : AC6 40) chain A residue 226 type sequence V description BINDING SITE FOR RESIDUE K A 506 source : AC6 41) chain A residue 248 type sequence N description BINDING SITE FOR RESIDUE K A 506 source : AC6 42) chain A residue 250 type sequence T description BINDING SITE FOR RESIDUE K A 506 source : AC6 43) chain B residue 153 type sequence I description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 44) chain B residue 154 type sequence T description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 45) chain B residue 155 type sequence P description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 46) chain B residue 156 type sequence W description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 47) chain B residue 157 type sequence N description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 48) chain B residue 180 type sequence K description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 49) chain B residue 182 type sequence S description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 50) chain B residue 183 type sequence E description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 51) chain B residue 213 type sequence G description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 52) chain B residue 214 type sequence S description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 53) chain B residue 217 type sequence G description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 54) chain B residue 218 type sequence D description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 55) chain B residue 231 type sequence F description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 56) chain B residue 232 type sequence T description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 57) chain B residue 233 type sequence G description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 58) chain B residue 234 type sequence G description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 59) chain B residue 237 type sequence T description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 60) chain B residue 240 type sequence H description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 61) chain B residue 241 type sequence I description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 62) chain B residue 255 type sequence E description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 63) chain B residue 256 type sequence L description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 64) chain B residue 257 type sequence G description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 65) chain B residue 289 type sequence C description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 66) chain B residue 336 type sequence H description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 67) chain B residue 339 type sequence K description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 68) chain B residue 390 type sequence E description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 69) chain B residue 392 type sequence F description BINDING SITE FOR RESIDUE NAD B 501 source : AC7 70) chain B residue 460 type sequence K description BINDING SITE FOR RESIDUE K B 502 source : AC8 71) chain B residue 463 type sequence G description BINDING SITE FOR RESIDUE K B 502 source : AC8 72) chain D residue 249 type sequence V description BINDING SITE FOR RESIDUE K B 502 source : AC8 73) chain D residue 251 type sequence N description BINDING SITE FOR RESIDUE K B 502 source : AC8 74) chain B residue 29 type sequence I description BINDING SITE FOR RESIDUE K B 503 source : AC9 75) chain B residue 97 type sequence D description BINDING SITE FOR RESIDUE K B 503 source : AC9 76) chain B residue 184 type sequence I description BINDING SITE FOR RESIDUE K B 503 source : AC9 77) chain B residue 249 type sequence V description BINDING SITE FOR RESIDUE K B 504 source : BC1 78) chain B residue 251 type sequence N description BINDING SITE FOR RESIDUE K B 504 source : BC1 79) chain D residue 460 type sequence K description BINDING SITE FOR RESIDUE K B 504 source : BC1 80) chain D residue 463 type sequence G description BINDING SITE FOR RESIDUE K B 504 source : BC1 81) chain B residue 474 type sequence E description BINDING SITE FOR RESIDUE K B 505 source : BC2 82) chain B residue 477 type sequence L description BINDING SITE FOR RESIDUE K B 505 source : BC2 83) chain B residue 224 type sequence K description BINDING SITE FOR RESIDUE K B 506 source : BC3 84) chain B residue 226 type sequence V description BINDING SITE FOR RESIDUE K B 506 source : BC3 85) chain B residue 248 type sequence N description BINDING SITE FOR RESIDUE K B 506 source : BC3 86) chain B residue 250 type sequence T description BINDING SITE FOR RESIDUE K B 506 source : BC3 87) chain C residue 153 type sequence I description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 88) chain C residue 154 type sequence T description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 89) chain C residue 155 type sequence P description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 90) chain C residue 156 type sequence W description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 91) chain C residue 157 type sequence N description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 92) chain C residue 180 type sequence K description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 93) chain C residue 181 type sequence P description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 94) chain C residue 182 type sequence S description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 95) chain C residue 183 type sequence E description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 96) chain C residue 212 type sequence A description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 97) chain C residue 213 type sequence G description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 98) chain C residue 214 type sequence S description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 99) chain C residue 217 type sequence G description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 100) chain C residue 218 type sequence D description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 101) chain C residue 231 type sequence F description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 102) chain C residue 232 type sequence T description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 103) chain C residue 233 type sequence G description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 104) chain C residue 234 type sequence G description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 105) chain C residue 237 type sequence T description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 106) chain C residue 240 type sequence H description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 107) chain C residue 241 type sequence I description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 108) chain C residue 255 type sequence E description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 109) chain C residue 256 type sequence L description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 110) chain C residue 257 type sequence G description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 111) chain C residue 289 type sequence C description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 112) chain C residue 336 type sequence H description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 113) chain C residue 339 type sequence K description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 114) chain C residue 390 type sequence E description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 115) chain C residue 392 type sequence F description BINDING SITE FOR RESIDUE NAD C 501 source : BC4 116) chain C residue 29 type sequence I description BINDING SITE FOR RESIDUE K C 502 source : BC5 117) chain C residue 97 type sequence D description BINDING SITE FOR RESIDUE K C 502 source : BC5 118) chain C residue 184 type sequence I description BINDING SITE FOR RESIDUE K C 502 source : BC5 119) chain C residue 224 type sequence K description BINDING SITE FOR RESIDUE K C 503 source : BC6 120) chain C residue 226 type sequence V description BINDING SITE FOR RESIDUE K C 503 source : BC6 121) chain C residue 248 type sequence N description BINDING SITE FOR RESIDUE K C 503 source : BC6 122) chain C residue 250 type sequence T description BINDING SITE FOR RESIDUE K C 503 source : BC6 123) chain C residue 474 type sequence E description BINDING SITE FOR RESIDUE K C 504 source : BC7 124) chain C residue 477 type sequence L description BINDING SITE FOR RESIDUE K C 504 source : BC7 125) chain D residue 153 type sequence I description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 126) chain D residue 154 type sequence T description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 127) chain D residue 155 type sequence P description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 128) chain D residue 156 type sequence W description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 129) chain D residue 157 type sequence N description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 130) chain D residue 180 type sequence K description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 131) chain D residue 182 type sequence S description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 132) chain D residue 183 type sequence E description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 133) chain D residue 212 type sequence A description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 134) chain D residue 213 type sequence G description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 135) chain D residue 214 type sequence S description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 136) chain D residue 217 type sequence G description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 137) chain D residue 218 type sequence D description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 138) chain D residue 231 type sequence F description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 139) chain D residue 232 type sequence T description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 140) chain D residue 233 type sequence G description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 141) chain D residue 234 type sequence G description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 142) chain D residue 237 type sequence T description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 143) chain D residue 240 type sequence H description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 144) chain D residue 241 type sequence I description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 145) chain D residue 255 type sequence E description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 146) chain D residue 257 type sequence G description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 147) chain D residue 289 type sequence C description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 148) chain D residue 336 type sequence H description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 149) chain D residue 339 type sequence K description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 150) chain D residue 390 type sequence E description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 151) chain D residue 392 type sequence F description BINDING SITE FOR RESIDUE NAD D 501 source : BC8 152) chain D residue 224 type sequence K description BINDING SITE FOR RESIDUE K D 502 source : BC9 153) chain D residue 226 type sequence V description BINDING SITE FOR RESIDUE K D 502 source : BC9 154) chain D residue 248 type sequence N description BINDING SITE FOR RESIDUE K D 502 source : BC9 155) chain D residue 250 type sequence T description BINDING SITE FOR RESIDUE K D 502 source : BC9 156) chain D residue 474 type sequence E description BINDING SITE FOR RESIDUE K D 503 source : CC1 157) chain D residue 477 type sequence L description BINDING SITE FOR RESIDUE K D 503 source : CC1 158) chain D residue 29 type sequence I description BINDING SITE FOR RESIDUE K D 504 source : CC2 159) chain D residue 97 type sequence D description BINDING SITE FOR RESIDUE K D 504 source : CC2 160) chain D residue 184 type sequence I description BINDING SITE FOR RESIDUE K D 504 source : CC2 161) chain A residue 282-293 type prosite sequence YFHAGQVCSAGS description ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YfHAGQVCSAGS source prosite : PS00070 162) 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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