eF-site ID 5eyu-ABCD PDB Code 5eyu Chain A, B, C, D 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 A:  HLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGTK EDAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKE HREALARLETLDTGKTLEESYADMDDIHNVFMYFAGLADK DGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYPLLQASW KIAPALATGCSLVMKPSEITPLTTIRVFELMEEVGFPKGT INLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKNA ANNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHA GQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLGNGFDAD TEMGPVISTEHRNKIESYMDVAKAEGATIAVGGKRPDRDD LKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVEGFETEQ EAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWIN DFHMYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTN TNPQLVNWFSK B:  HLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGTK EDAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKE HREALARLETLDTGKTLEESYADMDDIHNVFMYFAGLADK DGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYPLLQASW KIAPALATGCSLVMKPSEITPLTTIRVFELMEEVGFPKGT INLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKNA ANNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHA GQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLGNGFDAD TEMGPVISTEHRNKIESYMDVAKAEGATIAVGGKRPDRDD LKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVEGFETEQ EAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWIN DFHMYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTN TNPQLVNWFSK C:  HLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGTK EDAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKE HREALARLETLDTGKTLEESYADMDDIHNVFMYFAGLADK DGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYPLLQASW KIAPALATGCSLVMKPSEITPLTTIRVFELMEEVGFPKGT INLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKNA ANNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHA GQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLGNGFDAD TEMGPVISTEHRNKIESYMDVAKAEGATIAVGGKRPDRDD LKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVEGFETEQ EAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWIN DFHMYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTN TNPQLVNWFSK D:  HLSQRQYIDGEWVESANKNTRDIINPYNQEVIFTVSEGTK EDAERAILAARRAFESGEWSQETAETRGKKVRAIADKIKE HREALARLETLDTGKTLEESYADMDDIHNVFMYFAGLADK DGGEMIDSPIPDTESKIVKEPVGVVTQITPWNYPLLQASW KIAPALATGCSLVMKPSEITPLTTIRVFELMEEVGFPKGT INLILGAGSEVGDVMSGHKEVDLVSFTGGIETGKHIMKNA ANNVTNIALELGGKNPNIIFDDADFELAVDQALNGGYFHA GQVXSAGSRILVQNSIKDKFEQALIDRVKKIKLGNGFDAD TEMGPVISTEHRNKIESYMDVAKAEGATIAVGGKRPDRDD LKDGLFFEPTVITNCDTSMRIVQEEVFGPVVTVEGFETEQ EAIQLANDSIYGLAGAVFSKDIGKAQRVANKLKLGTVWIN DFHMYFAQAPWGGYKQSGIGRELGKEGLEEYLVSKHILTN TNPQLVNWFSK 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 336 type sequence H 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 B residue 249 type sequence V description binding site for residue NA A 502 source : AC2 28) chain A residue 29 type sequence I description binding site for residue NA A 503 source : AC3 29) chain A residue 97 type sequence D description binding site for residue NA A 503 source : AC3 30) chain A residue 184 type sequence I description binding site for residue NA A 503 source : AC3 31) chain A residue 8 type sequence S description binding site for residue EPE A 504 source : AC4 32) chain A residue 17 type sequence W description binding site for residue EPE A 504 source : AC4 33) chain A residue 191 type sequence R description binding site for residue EPE A 504 source : AC4 34) chain A residue 194 type sequence E description binding site for residue EPE A 504 source : AC4 35) chain A residue 198 type sequence E description binding site for residue EPE A 504 source : AC4 36) chain B residue 266 type sequence D description binding site for residue EPE A 504 source : AC4 37) chain B residue 267 type sequence D description binding site for residue EPE A 504 source : AC4 38) chain B residue 425 type sequence K description binding site for residue EPE A 504 source : AC4 39) chain A residue 450 type sequence Y description binding site for residue PGE A 505 source : AC5 40) chain B residue 153 type sequence I description binding site for residue NAD B 501 source : AC6 41) chain B residue 154 type sequence T description binding site for residue NAD B 501 source : AC6 42) chain B residue 155 type sequence P description binding site for residue NAD B 501 source : AC6 43) chain B residue 156 type sequence W description binding site for residue NAD B 501 source : AC6 44) chain B residue 157 type sequence N description binding site for residue NAD B 501 source : AC6 45) chain B residue 180 type sequence K description binding site for residue NAD B 501 source : AC6 46) chain B residue 182 type sequence S description binding site for residue NAD B 501 source : AC6 47) chain B residue 183 type sequence E description binding site for residue NAD B 501 source : AC6 48) chain B residue 213 type sequence G description binding site for residue NAD B 501 source : AC6 49) chain B residue 217 type sequence G description binding site for residue NAD B 501 source : AC6 50) chain B residue 218 type sequence D description binding site for residue NAD B 501 source : AC6 51) chain B residue 231 type sequence F description binding site for residue NAD B 501 source : AC6 52) chain B residue 233 type sequence G description binding site for residue NAD B 501 source : AC6 53) chain B residue 234 type sequence G description binding site for residue NAD B 501 source : AC6 54) chain B residue 237 type sequence T description binding site for residue NAD B 501 source : AC6 55) chain B residue 240 type sequence H description binding site for residue NAD B 501 source : AC6 56) chain B residue 241 type sequence I description binding site for residue NAD B 501 source : AC6 57) chain B residue 255 type sequence E description binding site for residue NAD B 501 source : AC6 58) chain B residue 257 type sequence G description binding site for residue NAD B 501 source : AC6 59) chain B residue 289 type sequence X description binding site for residue NAD B 501 source : AC6 60) chain B residue 336 type sequence H description binding site for residue NAD B 501 source : AC6 61) chain B residue 390 type sequence E description binding site for residue NAD B 501 source : AC6 62) chain B residue 392 type sequence F description binding site for residue NAD B 501 source : AC6 63) chain A residue 249 type sequence V description binding site for residue NA B 502 source : AC7 64) chain B residue 460 type sequence K description binding site for residue NA B 502 source : AC7 65) chain B residue 463 type sequence G description binding site for residue NA B 502 source : AC7 66) chain B residue 29 type sequence I description binding site for residue NA B 503 source : AC8 67) chain B residue 97 type sequence D description binding site for residue NA B 503 source : AC8 68) chain B residue 184 type sequence I description binding site for residue NA B 503 source : AC8 69) chain A residue 266 type sequence D description binding site for residue EPE B 504 source : AC9 70) chain A residue 425 type sequence K description binding site for residue EPE B 504 source : AC9 71) chain B residue 8 type sequence S description binding site for residue EPE B 504 source : AC9 72) chain B residue 17 type sequence W description binding site for residue EPE B 504 source : AC9 73) chain B residue 191 type sequence R description binding site for residue EPE B 504 source : AC9 74) chain B residue 194 type sequence E description binding site for residue EPE B 504 source : AC9 75) chain B residue 198 type sequence E description binding site for residue EPE B 504 source : AC9 76) chain A residue 324 type sequence A description binding site for residue EPE B 505 source : AD1 77) chain A residue 326 type sequence T description binding site for residue EPE B 505 source : AD1 78) chain B residue 492 type sequence N description binding site for residue EPE B 505 source : AD1 79) chain B residue 493 type sequence W description binding site for residue EPE B 505 source : AD1 80) chain B residue 450 type sequence Y description binding site for residue PGE B 506 source : AD2 81) chain C residue 153 type sequence I description binding site for residue NAD C 501 source : AD3 82) chain C residue 154 type sequence T description binding site for residue NAD C 501 source : AD3 83) chain C residue 155 type sequence P description binding site for residue NAD C 501 source : AD3 84) chain C residue 156 type sequence W description binding site for residue NAD C 501 source : AD3 85) chain C residue 157 type sequence N description binding site for residue NAD C 501 source : AD3 86) chain C residue 180 type sequence K description binding site for residue NAD C 501 source : AD3 87) chain C residue 182 type sequence S description binding site for residue NAD C 501 source : AD3 88) chain C residue 183 type sequence E description binding site for residue NAD C 501 source : AD3 89) chain C residue 213 type sequence G description binding site for residue NAD C 501 source : AD3 90) chain C residue 217 type sequence G description binding site for residue NAD C 501 source : AD3 91) chain C residue 218 type sequence D description binding site for residue NAD C 501 source : AD3 92) chain C residue 231 type sequence F description binding site for residue NAD C 501 source : AD3 93) chain C residue 233 type sequence G description binding site for residue NAD C 501 source : AD3 94) chain C residue 234 type sequence G description binding site for residue NAD C 501 source : AD3 95) chain C residue 237 type sequence T description binding site for residue NAD C 501 source : AD3 96) chain C residue 240 type sequence H description binding site for residue NAD C 501 source : AD3 97) chain C residue 241 type sequence I description binding site for residue NAD C 501 source : AD3 98) chain C residue 255 type sequence E description binding site for residue NAD C 501 source : AD3 99) chain C residue 257 type sequence G description binding site for residue NAD C 501 source : AD3 100) chain C residue 289 type sequence X description binding site for residue NAD C 501 source : AD3 101) chain C residue 336 type sequence H description binding site for residue NAD C 501 source : AD3 102) chain C residue 390 type sequence E description binding site for residue NAD C 501 source : AD3 103) chain C residue 392 type sequence F description binding site for residue NAD C 501 source : AD3 104) chain C residue 460 type sequence K description binding site for residue NA C 502 source : AD4 105) chain C residue 463 type sequence G description binding site for residue NA C 502 source : AD4 106) chain D residue 249 type sequence V description binding site for residue NA C 502 source : AD4 107) chain C residue 29 type sequence I description binding site for residue NA C 503 source : AD5 108) chain C residue 97 type sequence D description binding site for residue NA C 503 source : AD5 109) chain C residue 184 type sequence I description binding site for residue NA C 503 source : AD5 110) chain B residue 362 type sequence D description binding site for residue EPE C 504 source : AD6 111) chain C residue 492 type sequence N description binding site for residue EPE C 504 source : AD6 112) chain C residue 493 type sequence W description binding site for residue EPE C 504 source : AD6 113) chain D residue 324 type sequence A description binding site for residue EPE C 504 source : AD6 114) chain D residue 325 type sequence D description binding site for residue EPE C 504 source : AD6 115) chain D residue 326 type sequence T description binding site for residue EPE C 504 source : AD6 116) chain D residue 327 type sequence E description binding site for residue EPE C 504 source : AD6 117) chain C residue 283 type sequence F description binding site for residue PGE C 505 source : AD7 118) chain C residue 450 type sequence Y description binding site for residue PGE C 505 source : AD7 119) chain D residue 153 type sequence I description binding site for residue NAD D 501 source : AD8 120) chain D residue 154 type sequence T description binding site for residue NAD D 501 source : AD8 121) chain D residue 155 type sequence P description binding site for residue NAD D 501 source : AD8 122) chain D residue 156 type sequence W description binding site for residue NAD D 501 source : AD8 123) chain D residue 157 type sequence N description binding site for residue NAD D 501 source : AD8 124) chain D residue 180 type sequence K description binding site for residue NAD D 501 source : AD8 125) chain D residue 182 type sequence S description binding site for residue NAD D 501 source : AD8 126) chain D residue 183 type sequence E description binding site for residue NAD D 501 source : AD8 127) chain D residue 213 type sequence G description binding site for residue NAD D 501 source : AD8 128) chain D residue 217 type sequence G description binding site for residue NAD D 501 source : AD8 129) chain D residue 218 type sequence D description binding site for residue NAD D 501 source : AD8 130) chain D residue 231 type sequence F description binding site for residue NAD D 501 source : AD8 131) chain D residue 233 type sequence G description binding site for residue NAD D 501 source : AD8 132) chain D residue 234 type sequence G description binding site for residue NAD D 501 source : AD8 133) chain D residue 237 type sequence T description binding site for residue NAD D 501 source : AD8 134) chain D residue 240 type sequence H description binding site for residue NAD D 501 source : AD8 135) chain D residue 241 type sequence I description binding site for residue NAD D 501 source : AD8 136) chain D residue 255 type sequence E description binding site for residue NAD D 501 source : AD8 137) chain D residue 257 type sequence G description binding site for residue NAD D 501 source : AD8 138) chain D residue 289 type sequence X description binding site for residue NAD D 501 source : AD8 139) chain D residue 336 type sequence H description binding site for residue NAD D 501 source : AD8 140) chain D residue 390 type sequence E description binding site for residue NAD D 501 source : AD8 141) chain D residue 392 type sequence F description binding site for residue NAD D 501 source : AD8 142) chain C residue 249 type sequence V description binding site for residue NA D 502 source : AD9 143) chain D residue 460 type sequence K description binding site for residue NA D 502 source : AD9 144) chain D residue 463 type sequence G description binding site for residue NA D 502 source : AD9 145) chain D residue 29 type sequence I description binding site for residue NA D 503 source : AE1 146) chain D residue 97 type sequence D description binding site for residue NA D 503 source : AE1 147) chain D residue 184 type sequence I description binding site for residue NA D 503 source : AE1 148) chain D residue 158 type sequence Y description binding site for residue PGE D 504 source : AE2 149) chain D residue 450 type sequence Y description binding site for residue PGE D 504 source : AE2 150) chain A residue 282-293 type prosite sequence YFHAGQVXSAGS description ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YfHAGQVCSAGS source prosite : PS00070 151) 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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