eF-site ID 2aqv-AB PDB Code 2aqv Chain A, B click to enlarge Title Crystal Structure of E. coli Isoaspartyl Dipeptidase mutant Y137F Classification HYDROLASE Compound Isoaspartyl dipeptidase Source null (IADA_ECOLI) Sequence A:  MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVAS NIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGP TTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKT RALNEEGISAWMLTGAFHVPSRTITGSVEKDVAIIDRVIG VXCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVF HMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQ ALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARV TLSSDGNGGVAGFETLLETVQVLVKDYDFSISDALRPLTS SVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKL MVKDGKACVKGTFET B:  MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVAS NIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGP TTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKT RALNEEGISAWMLTGAFHVPSRTITGSVEKDVAIIDRVIG VXCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVF HMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQ ALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARV TLSSDGNGSVAGFETLLETVQVLVKDYDFSISDALRPLTS SVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKL MVKDGKACVKGTFET Description Functional site 1) chain A residue 68 type sequence H description BINDING SITE FOR RESIDUE ZN A 801 source : AC1 2) chain A residue 70 type sequence H description BINDING SITE FOR RESIDUE ZN A 801 source : AC1 3) chain A residue 162 type sequence X description BINDING SITE FOR RESIDUE ZN A 801 source : AC1 4) chain A residue 285 type sequence D description BINDING SITE FOR RESIDUE ZN A 801 source : AC1 5) chain A residue 162 type sequence X description BINDING SITE FOR RESIDUE ZN A 802 source : AC2 6) chain A residue 201 type sequence H description BINDING SITE FOR RESIDUE ZN A 802 source : AC2 7) chain A residue 230 type sequence H description BINDING SITE FOR RESIDUE ZN A 802 source : AC2 8) chain B residue 68 type sequence H description BINDING SITE FOR RESIDUE ZN B 803 source : AC3 9) chain B residue 70 type sequence H description BINDING SITE FOR RESIDUE ZN B 803 source : AC3 10) chain B residue 162 type sequence X description BINDING SITE FOR RESIDUE ZN B 803 source : AC3 11) chain B residue 285 type sequence D description BINDING SITE FOR RESIDUE ZN B 803 source : AC3 12) chain B residue 162 type sequence X description BINDING SITE FOR RESIDUE ZN B 804 source : AC4 13) chain B residue 201 type sequence H description BINDING SITE FOR RESIDUE ZN B 804 source : AC4 14) chain B residue 230 type sequence H description BINDING SITE FOR RESIDUE ZN B 804 source : AC4 15) chain B residue 285 type ACT_SITE sequence D description Proton acceptor => ECO:0000269|PubMed:12946361 source Swiss-Prot : SWS_FT_FI1 16) chain A residue 285 type ACT_SITE sequence D description Proton acceptor => ECO:0000269|PubMed:12946361 source Swiss-Prot : SWS_FT_FI1 17) chain A residue 70 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 18) chain A residue 201 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 19) chain A residue 230 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 20) chain B residue 285 type BINDING sequence D description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 21) chain A residue 285 type BINDING sequence D description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 22) chain B residue 68 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 23) chain B residue 70 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 24) chain B residue 201 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 25) chain B residue 230 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 26) chain A residue 68 type BINDING sequence H description BINDING => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI2 27) chain B residue 75 type BINDING sequence G description source Swiss-Prot : SWS_FT_FI3 28) chain A residue 75 type BINDING sequence G description source Swiss-Prot : SWS_FT_FI3 29) chain A residue 137 type BINDING sequence F description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 30) chain B residue 289 type BINDING sequence S description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 31) chain A residue 169 type BINDING sequence R description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 32) chain A residue 233 type BINDING sequence R description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 33) chain B residue 106 type BINDING sequence T description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 34) chain B residue 137 type BINDING sequence F description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 35) chain B residue 169 type BINDING sequence R description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 36) chain B residue 233 type BINDING sequence R description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 37) chain A residue 106 type BINDING sequence T description BINDING => ECO:0000305|PubMed:12718528, ECO:0000305|PubMed:12946361, ECO:0000305|PubMed:15882050 source Swiss-Prot : SWS_FT_FI4 38) chain A residue 162 type BINDING sequence X description via carbamate group => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI5 39) chain B residue 162 type BINDING sequence X description via carbamate group => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI5 40) chain B residue 162 type MOD_RES sequence X description N6-carboxylysine => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI6 41) chain A residue 162 type MOD_RES sequence X description N6-carboxylysine => ECO:0000269|PubMed:12718528, ECO:0000269|PubMed:12946361, ECO:0000269|PubMed:15882050, ECO:0000269|PubMed:16289685 source Swiss-Prot : SWS_FT_FI6 42) chain A residue 68 type catalytic sequence H description 172 source MCSA : MCSA1 43) chain A residue 70 type catalytic sequence H description 172 source MCSA : MCSA1 44) chain A residue 162 type catalytic sequence X description 172 source MCSA : MCSA1 45) chain A residue 201 type catalytic sequence H description 172 source MCSA : MCSA1 46) chain A residue 230 type catalytic sequence H description 172 source MCSA : MCSA1 47) chain A residue 285 type catalytic sequence D description 172 source MCSA : MCSA1 48) chain B residue 68 type catalytic sequence H description 172 source MCSA : MCSA2 49) chain B residue 70 type catalytic sequence H description 172 source MCSA : MCSA2 50) chain B residue 162 type catalytic sequence X description 172 source MCSA : MCSA2 51) chain B residue 201 type catalytic sequence H description 172 source MCSA : MCSA2 52) chain B residue 230 type catalytic sequence H description 172 source MCSA : MCSA2 53) chain B residue 285 type catalytic sequence D description 172 source MCSA : MCSA2

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