eF-site ID 4bjh-AB PDB Code 4bjh Chain A, B click to enlarge Title Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA) Classification HYDROLASE/TRANSFERASE Compound DIHYDROOROTASE Source (PYRB_AQUAE) Sequence A:  MLKLIVKNGYVIDPSQNLEGEFDILVENGKIKKIDKNILV PEAEIIDAKGLIVCPGFIDIHVHLRDPGQTYKEDIESGSR CAVAGGFTTIVCMPNTNPPIDNTTVVNYILQKSKSVGLCR VLPTGTITKGRKGKEIADFYSLKEAGCVAFTDDGSPVMDS SVMRKALELASQLGVPIMDACEDDKLAYGVINEGEVSALL GLSSRAPEAEEIQIARDGILAQRTGGHVHIQAVSTKLSLE IIEFFKEKGVKITCEVNPNHLLFTEREVLNSGANARVNPP LRKKEDRLALIEGVKRGIIDCFATDHAPHQTFEKELVEFA MPGIIGLQTALPSALELYRKGIISLKKLIEMFTINPARII GVDLGTLKLGSPADITIFDPNKEWILNEETNLSKSRNTPL WGKVLKGKVIYTIKDGKMVYKD B:  MRSLISSLDLTREEVEEILKYAKEFKEGKEETIKASAVLF FSEPSTRTRLSFEKAARELGIETYLVSGSESSTVKGESFF DTLKTFEGLGFDYVVFRVPFVFFPYKEIVKSLNLRLVNAG DGTHQHPSQGLIDFFTIKEHFGEVKDLRVLYVGDIKHSRV FRSGAPLLNMFGAKIGVCGPKTLIPRDVEVFKVDVFDDVD KGIDWADVVIWLRLQKERQKENYIPSESSYFKQFGLTKER FEKVKLYMHPGPVNRNVDIDHELVYTEKSLIQEQVKNGIP VRKAIYKFLWT Description Functional site 1) chain A residue 61 type sequence H description BINDING SITE FOR RESIDUE ZN A 423 source : AC1 2) chain A residue 63 type sequence H description BINDING SITE FOR RESIDUE ZN A 423 source : AC1 3) chain A residue 153 type sequence D description BINDING SITE FOR RESIDUE ZN A 423 source : AC1 4) chain A residue 305 type sequence D description BINDING SITE FOR RESIDUE ZN A 423 source : AC1 5) chain A residue 63 type sequence H description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 6) chain A residue 65 type sequence R description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 7) chain A residue 95 type sequence N description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 8) chain A residue 153 type sequence D description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 9) chain A residue 154 type sequence G description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 10) chain A residue 277 type sequence V description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 11) chain A residue 278 type sequence N description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 12) chain A residue 309 type sequence H description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 13) chain A residue 322 type sequence P description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 14) chain A residue 323 type sequence G description BINDING SITE FOR RESIDUE DOR A 425 source : AC2 15) chain B residue 45 type sequence S description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 16) chain B residue 46 type sequence T description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 17) chain B residue 47 type sequence R description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 18) chain B residue 48 type sequence T description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 19) chain B residue 72 type sequence S description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 20) chain B residue 75 type sequence K description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 21) chain B residue 97 type sequence R description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 22) chain B residue 126 type sequence H description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 23) chain B residue 159 type sequence R description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 24) chain B residue 160 type sequence V description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 25) chain B residue 213 type sequence R description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 26) chain B residue 215 type sequence Q description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 27) chain B residue 251 type sequence G description BINDING SITE FOR RESIDUE PAL B 292 source : AC3 28) chain B residue 196 type sequence F description BINDING SITE FOR RESIDUE PO4 B 293 source : AC4 29) chain B residue 197 type sequence D description BINDING SITE FOR RESIDUE PO4 B 293 source : AC4 30) chain B residue 198 type sequence D description BINDING SITE FOR RESIDUE PO4 B 293 source : AC4 31) chain B residue 201 type sequence K description BINDING SITE FOR RESIDUE PO4 B 293 source : AC4 32) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE BA B 295 source : AC5 33) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE BA B 295 source : AC5 34) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE BA B 295 source : AC5 35) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE BA B 296 source : AC6 36) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE BA B 296 source : AC6 37) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE BA B 296 source : AC6 38) chain B residue 9 type sequence D description BINDING SITE FOR RESIDUE BA B 297 source : AC7 39) chain B residue 14 type sequence E description BINDING SITE FOR RESIDUE BA B 297 source : AC7 40) chain A residue 101 type sequence D description BINDING SITE FOR RESIDUE EDO B 301 source : AC8 41) chain A residue 102 type sequence N description BINDING SITE FOR RESIDUE EDO B 301 source : AC8 42) chain A residue 103 type sequence T description BINDING SITE FOR RESIDUE EDO B 301 source : AC8 43) chain A residue 138 type sequence D description BINDING SITE FOR RESIDUE EDO B 301 source : AC8 44) chain B residue 47 type sequence R description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 45) chain B residue 77 type sequence E description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 46) chain B residue 81 type sequence D description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 47) chain B residue 252 type sequence P description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 48) chain B residue 253 type sequence V description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 49) chain B residue 265 type sequence Y description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 50) chain B residue 271 type sequence I description BINDING SITE FOR RESIDUE EDO B 302 source : AC9 51) chain B residue 49 type sequence R description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 52) chain B residue 65 type sequence L description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 53) chain B residue 65 type sequence L description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 54) chain B residue 66 type sequence V description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 55) chain B residue 67 type sequence S description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 56) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 57) chain B residue 70 type sequence E description BINDING SITE FOR RESIDUE EDO B 303 source : BC1 58) chain B residue 43 type sequence E description BINDING SITE FOR RESIDUE EDO B 304 source : BC2 59) chain B residue 99 type sequence P description BINDING SITE FOR RESIDUE EDO B 304 source : BC2 60) chain B residue 217 type sequence E description BINDING SITE FOR RESIDUE EDO B 304 source : BC2 61) chain B residue 218 type sequence R description BINDING SITE FOR RESIDUE EDO B 304 source : BC2 62) chain B residue 195 type sequence V description BINDING SITE FOR RESIDUE EDO B 305 source : BC3 63) chain B residue 3 type sequence S description BINDING SITE FOR RESIDUE EDO B 306 source : BC4 64) chain B residue 9 type sequence D description BINDING SITE FOR RESIDUE EDO B 306 source : BC4 65) chain B residue 288 type sequence F description BINDING SITE FOR RESIDUE EDO B 306 source : BC4 66) chain A residue 101 type sequence D description BINDING SITE FOR RESIDUE EDO B 307 source : BC5 67) chain A residue 102 type sequence N description BINDING SITE FOR RESIDUE EDO B 307 source : BC5 68) chain B residue 12 type sequence R description BINDING SITE FOR RESIDUE EDO B 308 source : BC6 69) chain B residue 13 type sequence E description BINDING SITE FOR RESIDUE EDO B 308 source : BC6 70) chain B residue 16 type sequence E description BINDING SITE FOR RESIDUE EDO B 308 source : BC6 71) chain B residue 195 type sequence V description BINDING SITE FOR RESIDUE EDO B 309 source : BC7 72) chain B residue 197 type sequence D description BINDING SITE FOR RESIDUE EDO B 309 source : BC7 73) chain A residue 222 type sequence Q description BINDING SITE FOR RESIDUE EDO B 310 source : BC8 74) chain A residue 240 type sequence E description BINDING SITE FOR RESIDUE EDO B 310 source : BC8 75) chain A residue 140 type sequence Y description BINDING SITE FOR RESIDUE EDO B 311 source : BC9 76) chain B residue 198 type sequence D description BINDING SITE FOR RESIDUE EDO B 311 source : BC9 77) chain B residue 199 type sequence V description BINDING SITE FOR RESIDUE EDO B 311 source : BC9 78) chain B residue 200 type sequence D description BINDING SITE FOR RESIDUE EDO B 311 source : BC9 79) chain B residue 233 type sequence Q description BINDING SITE FOR RESIDUE EDO B 311 source : BC9 80) chain B residue 240 type sequence R description BINDING SITE FOR RESIDUE EDO B 311 source : BC9 81) chain A residue 200 type sequence L description BINDING SITE FOR RESIDUE EDO B 312 source : CC1 82) chain B residue 6 type sequence S description BINDING SITE FOR RESIDUE EDO B 312 source : CC1 83) chain B residue 8 type sequence L description BINDING SITE FOR RESIDUE EDO B 312 source : CC1 84) chain B residue 105 type sequence Y description BINDING SITE FOR RESIDUE EDO B 312 source : CC1 85) chain B residue 124 type sequence H description BINDING SITE FOR RESIDUE EDO B 312 source : CC1 86) chain B residue 252 type BINDING sequence P description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 87) chain B residue 48 type BINDING sequence T description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 88) chain B residue 75 type BINDING sequence K description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 89) chain B residue 97 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 90) chain B residue 126 type BINDING sequence H description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 91) chain B residue 129 type BINDING sequence Q description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 92) chain B residue 159 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 93) chain B residue 213 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 94) chain B residue 251 type BINDING sequence G description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 95) chain B residue 47 type BINDING sequence R description BINDING => ECO:0000255|HAMAP-Rule:MF_00001 source Swiss-Prot : SWS_FT_FI1 96) chain A residue 61 type BINDING sequence H description BINDING => ECO:0000269|PubMed:15826652, ECO:0000269|PubMed:19128030, ECO:0000269|PubMed:24314009, ECO:0007744|PDB:1XRF, ECO:0007744|PDB:1XRT, ECO:0007744|PDB:3D6N, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI2 97) chain A residue 63 type BINDING sequence H description BINDING => ECO:0000269|PubMed:15826652, ECO:0000269|PubMed:19128030, ECO:0000269|PubMed:24314009, ECO:0007744|PDB:1XRF, ECO:0007744|PDB:1XRT, ECO:0007744|PDB:3D6N, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI2 98) chain A residue 153 type BINDING sequence D description BINDING => ECO:0000269|PubMed:15826652, ECO:0000269|PubMed:19128030, ECO:0000269|PubMed:24314009, ECO:0007744|PDB:1XRF, ECO:0007744|PDB:1XRT, ECO:0007744|PDB:3D6N, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI2 99) chain A residue 95 type BINDING sequence N description BINDING => ECO:0000255|HAMAP-Rule:MF_00220, ECO:0000305|PubMed:24314009, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI3 100) chain A residue 278 type BINDING sequence N description BINDING => ECO:0000255|HAMAP-Rule:MF_00220, ECO:0000305|PubMed:24314009, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI3 101) chain A residue 309 type BINDING sequence H description BINDING => ECO:0000255|HAMAP-Rule:MF_00220, ECO:0000305|PubMed:24314009, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI3 102) chain A residue 322 type BINDING sequence P description BINDING => ECO:0000255|HAMAP-Rule:MF_00220, ECO:0000305|PubMed:24314009, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI3 103) chain A residue 305 type BINDING sequence D description BINDING => ECO:0000269|PubMed:19128030, ECO:0000269|PubMed:24314009, ECO:0007744|PDB:3D6N, ECO:0007744|PDB:4BJH source Swiss-Prot : SWS_FT_FI4 104) chain B residue 41-48 type prosite sequence FSEPSTRT description CARBAMOYLTRANSFERASE Aspartate and ornithine carbamoyltransferases signature. FsEpSTRT source prosite : PS00097 105) chain A residue 59-67 type prosite sequence DIHVHLRDP description DIHYDROOROTASE_1 Dihydroorotase signature 1. DIHVHLRdP source prosite : PS00482 106) chain A residue 303-314 type prosite sequence ATDHAPHQTFEK description DIHYDROOROTASE_2 Dihydroorotase signature 2. ATDhAPHqtfeK source prosite : PS00483

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