eF-site ID 2c5v-C PDB Code 2c5v Chain C click to enlarge Title Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Classification CELL CYCLE Compound CELL DIVISION PROTEIN KINASE 2 Source Homo sapiens (Human) (2C5V) Sequence C:  MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTE TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVF EFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYT HEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRR ALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAA LAHPFFQDVTKPVPHL Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37), CYCLIN A2, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2 Functional site 1) chain C residue 10 type ligand sequence I description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 2) chain C residue 31 type ligand sequence A description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 3) chain C residue 33 type ligand sequence K description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 4) chain C residue 80 type ligand sequence F description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 5) chain C residue 81 type ligand sequence E description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 6) chain C residue 83 type ligand sequence L description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 7) chain C residue 84 type ligand sequence H description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 8) chain C residue 85 type ligand sequence Q description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 9) chain C residue 86 type ligand sequence D description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 10) chain C residue 89 type ligand sequence K description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 11) chain C residue 134 type ligand sequence L description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 12) chain C residue 145 type ligand sequence D description BINDING SITE FOR RESIDUE CK4 C1297 source : AC2 13) chain C residue 127 type ACT_SITE ligand sequence D description Proton acceptor. source Swiss-Prot : SWS_FT_FI6 14) chain C residue 132 type METAL ligand sequence N description Magnesium. {ECO:0000269|PubMed:21565702} source Swiss-Prot : SWS_FT_FI7 15) chain C residue 145 type METAL ligand sequence D description Magnesium. {ECO:0000269|PubMed:21565702} source Swiss-Prot : SWS_FT_FI7 16) chain C residue 33 type BINDING ligand sequence K description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}. source Swiss-Prot : SWS_FT_FI8 17) chain C residue 86 type BINDING ligand sequence D description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}. source Swiss-Prot : SWS_FT_FI8 18) chain C residue 145 type BINDING ligand sequence D description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}. source Swiss-Prot : SWS_FT_FI8 19) chain C residue 9 type SITE ligand sequence K description CDK7 binding. source Swiss-Prot : SWS_FT_FI9 20) chain C residue 88-89 type SITE ligand sequence KK description CDK7 binding. source Swiss-Prot : SWS_FT_FI9 21) chain C residue 166 type SITE ligand sequence L description CDK7 binding. source Swiss-Prot : SWS_FT_FI9 22) chain C residue 10-18 type NP_BIND ligand sequence IGEGTYGVV description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}. source Swiss-Prot : SWS_FT_FI10 23) chain C residue 81-83 type NP_BIND ligand sequence EFL description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}. source Swiss-Prot : SWS_FT_FI10 24) chain C residue 129-132 type NP_BIND ligand sequence KPQN description ATP. {ECO:0000255|PROSITE- ProRule:PRU00159, ECO:0000269|PubMed:17095507, ECO:0000269|PubMed:21565702}. source Swiss-Prot : SWS_FT_FI10 25) chain C residue 10 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence I description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 26) chain C residue 12-13 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence EG description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 27) chain C residue 18 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence V description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 28) chain C residue 31 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence A description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 29) chain C residue 33 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence K description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 30) chain C residue 51 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence E description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 31) chain C residue 64 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence V description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 32) chain C residue 80-86 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence FEFLHQD description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 33) chain C residue 89 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence K description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 34) chain C residue 134 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence L description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 35) chain C residue 144-145 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence AD description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_C_1297 36) chain C residue 131 type catalytic ligand sequence Q description Annotated By Reference To The Literature 1ir3 source CSA : CSA2 37) chain C residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA2 38) chain C residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA4 39) chain C residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA4 40) chain C residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA6 41) chain C residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA6 42) chain C residue 165 type catalytic ligand sequence T description Annotated By Reference To The Literature 1ir3 source CSA : CSA6 43) chain C residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA8 44) chain C residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA8 45) chain C residue 132 type catalytic ligand sequence N description Annotated By Reference To The Literature 1ir3 source CSA : CSA8

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