eF-site ID 4kbn-B PDB Code 4kbn Chain B 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 B:  VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTT SSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELK EPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSV YKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLP EYPGVLSDVQEEKGIKYKFEVYEKND Description Functional site 1) chain B residue 139 type sequence M description BINDING SITE FOR RESIDUE CL A 206 source : AC6 2) chain B residue 1 type sequence V description BINDING SITE FOR RESIDUE SR B 201 source : BC3 3) chain B residue 2 type sequence G description BINDING SITE FOR RESIDUE SR B 201 source : BC3 4) chain B residue 3 type sequence S description BINDING SITE FOR RESIDUE SR B 201 source : BC3 5) chain B residue 7 type sequence I description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 6) chain B residue 8 type sequence V description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 7) chain B residue 9 type sequence A description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 8) chain B residue 22 type sequence L description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 9) chain B residue 30 type sequence E description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 10) chain B residue 31 type sequence F description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 11) chain B residue 34 type sequence F description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 12) chain B residue 56 type sequence T description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 13) chain B residue 60 type sequence I description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 14) chain B residue 61 type sequence P description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 15) chain B residue 67 type sequence L description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 16) chain B residue 115 type sequence V description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 17) chain B residue 121 type sequence Y description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 18) chain B residue 136 type sequence T description BINDING SITE FOR RESIDUE 25U B 202 source : BC4 19) chain B residue 173 type sequence K description BINDING SITE FOR RESIDUE EOH B 203 source : BC5 20) chain B residue 62 type sequence E description BINDING SITE FOR RESIDUE EOH B 204 source : BC6 21) chain B residue 3 type sequence S description BINDING SITE FOR RESIDUE CL B 205 source : BC7 22) chain B residue 5 type sequence N description BINDING SITE FOR RESIDUE CL B 205 source : BC7 23) chain B residue 21 type sequence D description BINDING SITE FOR RESIDUE MG B 206 source : BC8 24) chain B residue 163 type sequence P description BINDING SITE FOR RESIDUE CL B 207 source : BC9 25) chain B residue 35 type sequence Q description BINDING SITE FOR RESIDUE CL B 208 source : CC1 26) chain B residue 110 type sequence D description BINDING SITE FOR RESIDUE MG B 210 source : CC2 27) chain B residue 22 type sequence L description BINDING SITE FOR RESIDUE NH4 B 211 source : CC3 28) chain B residue 24 type sequence W description BINDING SITE FOR RESIDUE NH4 B 211 source : CC3 29) chain B residue 18 type sequence K description BINDING SITE FOR RESIDUE MG B 212 source : CC4 30) chain B residue 19 type sequence N description BINDING SITE FOR RESIDUE MG B 212 source : CC4 31) chain B residue 20 type sequence G description BINDING SITE FOR RESIDUE MG B 212 source : CC4 32) chain B residue 145 type sequence D description BINDING SITE FOR RESIDUE MG B 212 source : CC4 33) chain B residue 146 type sequence T description BINDING SITE FOR RESIDUE MG B 212 source : CC4 34) chain B residue 153 type sequence L description BINDING SITE FOR RESIDUE MG B 213 source : CC5 35) chain B residue 156 type sequence Y description BINDING SITE FOR RESIDUE MG B 213 source : CC5 36) chain B residue 8 type sequence V description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 37) chain B residue 9 type sequence A description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 38) chain B residue 16 type sequence I description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 39) chain B residue 20 type sequence G description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 40) chain B residue 21 type sequence D description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 41) chain B residue 53 type sequence G description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 42) chain B residue 54 type sequence K description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 43) chain B residue 55 type sequence K description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 44) chain B residue 56 type sequence T description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 45) chain B residue 75 type sequence L description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 46) chain B residue 76 type sequence S description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 47) chain B residue 77 type sequence R description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 48) chain B residue 78 type sequence E description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 49) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 50) chain B residue 115 type sequence V description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 51) chain B residue 117 type sequence G description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 52) chain B residue 118 type sequence S description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 53) chain B residue 119 type sequence S description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 54) chain B residue 120 type sequence V description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 55) chain B residue 121 type sequence Y description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 56) chain B residue 123 type sequence E description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 57) chain B residue 146 type sequence T description BINDING SITE FOR RESIDUE NDP B 214 source : CC6 58) chain B residue 22 type catalytic sequence L description 490 source MCSA : MCSA2 59) chain B residue 30 type catalytic sequence E description 490 source MCSA : MCSA2 60) chain B 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 61) chain B 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 62) chain B 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 63) chain B 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 64) chain B 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 65) chain B residue 30 type BINDING sequence E description BINDING => ECO:0000305|PubMed:2248959 source Swiss-Prot : SWS_FT_FI2 66) chain B residue 64 type BINDING sequence N description BINDING => ECO:0000305|PubMed:2248959 source Swiss-Prot : SWS_FT_FI2 67) chain B residue 70 type BINDING sequence R description BINDING => ECO:0000305|PubMed:2248959 source Swiss-Prot : SWS_FT_FI2

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