eF-site ID 4kbn-A PDB Code 4kbn Chain A click to enlarge Title human dihydrofolate reductase complexed with NADPH and 5-{3-[3-(3,5-pyrimidine)]-phenyl-prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4diamine Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR Compound Dihydrofolate reductase Source Homo sapiens (Human) (DYR_HUMAN) Sequence A:  VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTT SSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELK EPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSV YKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLP EYPGVLSDVQEEKGIKYKFEVYEKND Description Functional site 1) chain A residue 7 type sequence I description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 2) chain A residue 8 type sequence V description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 3) chain A residue 9 type sequence A description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 4) chain A residue 30 type sequence E description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 5) chain A residue 34 type sequence F description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 6) chain A residue 56 type sequence T description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 7) chain A residue 60 type sequence I description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 8) chain A residue 61 type sequence P description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 9) chain A residue 67 type sequence L description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 10) chain A residue 121 type sequence Y description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 11) chain A residue 136 type sequence T description BINDING SITE FOR RESIDUE 25U A 201 source : AC1 12) chain A residue 10 type sequence V description BINDING SITE FOR RESIDUE EOH A 202 source : AC2 13) chain A residue 11 type sequence S description BINDING SITE FOR RESIDUE EOH A 202 source : AC2 14) chain A residue 12 type sequence Q description BINDING SITE FOR RESIDUE EOH A 202 source : AC2 15) chain A residue 14 type sequence M description BINDING SITE FOR RESIDUE EOH A 202 source : AC2 16) chain A residue 137 type sequence R description BINDING SITE FOR RESIDUE EOH A 202 source : AC2 17) chain A residue 171 type sequence E description BINDING SITE FOR RESIDUE CL A 204 source : AC4 18) chain A residue 173 type sequence K description BINDING SITE FOR RESIDUE CL A 204 source : AC4 19) chain A residue 174 type sequence G description BINDING SITE FOR RESIDUE CL A 204 source : AC4 20) chain A residue 160 type sequence P description BINDING SITE FOR RESIDUE MG A 205 source : AC5 21) chain A residue 167 type sequence S description BINDING SITE FOR RESIDUE MG A 205 source : AC5 22) chain A residue 42 type sequence S description BINDING SITE FOR RESIDUE CL A 206 source : AC6 23) chain A residue 43 type sequence V description BINDING SITE FOR RESIDUE CL A 206 source : AC6 24) chain A residue 35 type sequence Q description BINDING SITE FOR RESIDUE CL A 207 source : AC7 25) chain A residue 70 type sequence R description BINDING SITE FOR RESIDUE CL A 207 source : AC7 26) chain A residue 29 type sequence N description BINDING SITE FOR RESIDUE CL A 208 source : AC8 27) chain A residue 32 type sequence R description BINDING SITE FOR RESIDUE CL A 208 source : AC8 28) chain A residue 168 type sequence D description BINDING SITE FOR RESIDUE MG A 209 source : AC9 29) chain A residue 170 type sequence Q description BINDING SITE FOR RESIDUE MG A 209 source : AC9 30) chain A residue 8 type sequence V description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 31) chain A residue 9 type sequence A description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 32) chain A residue 16 type sequence I description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 33) chain A residue 20 type sequence G description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 34) chain A residue 21 type sequence D description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 35) chain A residue 53 type sequence G description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 36) chain A residue 54 type sequence K description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 37) chain A residue 55 type sequence K description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 38) chain A residue 56 type sequence T description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 39) chain A residue 75 type sequence L description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 40) chain A residue 76 type sequence S description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 41) chain A residue 77 type sequence R description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 42) chain A residue 78 type sequence E description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 43) chain A residue 91 type sequence R description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 44) chain A residue 115 type sequence V description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 45) chain A residue 117 type sequence G description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 46) chain A residue 118 type sequence S description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 47) chain A residue 119 type sequence S description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 48) chain A residue 120 type sequence V description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 49) chain A residue 121 type sequence Y description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 50) chain A residue 123 type sequence E description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 51) chain A residue 146 type sequence T description BINDING SITE FOR RESIDUE NDP A 210 source : BC1 52) chain A residue 168 type sequence D description BINDING SITE FOR RESIDUE MG A 211 source : BC2 53) chain A residue 169 type sequence V description BINDING SITE FOR RESIDUE MG A 211 source : BC2 54) chain A residue 171 type sequence E description BINDING SITE FOR RESIDUE SR B 201 source : BC3 55) chain A residue 174 type sequence G description BINDING SITE FOR RESIDUE SR B 201 source : BC3 56) chain A residue 185 type sequence N description BINDING SITE FOR RESIDUE EOH B 203 source : BC5 57) chain A residue 140 type sequence Q description BINDING SITE FOR RESIDUE MG B 210 source : CC2 58) chain A residue 22 type catalytic sequence L description 490 source MCSA : MCSA1 59) chain A residue 30 type catalytic sequence E description 490 source MCSA : MCSA1 60) chain A residue 9 type BINDING sequence A description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082 source Swiss-Prot : SWS_FT_FI1 61) chain A residue 15 type BINDING sequence G description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082 source Swiss-Prot : SWS_FT_FI1 62) chain A residue 54 type BINDING sequence K description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082 source Swiss-Prot : SWS_FT_FI1 63) chain A residue 76 type BINDING sequence S description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082 source Swiss-Prot : SWS_FT_FI1 64) chain A residue 116 type BINDING sequence G description BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082 source Swiss-Prot : SWS_FT_FI1 65) chain A residue 15-38 type prosite sequence GIGKNGDLPWPPLRNEFRYFQRMT description DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGkngdLPWpplrnEfryFqrmT source prosite : PS00075 66) chain A residue 30 type BINDING sequence E description BINDING => ECO:0000305|PubMed:2248959 source Swiss-Prot : SWS_FT_FI2 67) chain A residue 64 type BINDING sequence N description BINDING => ECO:0000305|PubMed:2248959 source Swiss-Prot : SWS_FT_FI2 68) chain A residue 70 type BINDING sequence R description BINDING => ECO:0000305|PubMed:2248959 source Swiss-Prot : SWS_FT_FI2

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