eF-site ID 2c5v-A PDB Code 2c5v Chain A 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 A:  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 A residue 10 type ligand sequence I description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 2) chain A residue 31 type ligand sequence A description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 3) chain A residue 33 type ligand sequence K description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 4) chain A residue 80 type ligand sequence F description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 5) chain A residue 81 type ligand sequence E description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 6) chain A residue 83 type ligand sequence L description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 7) chain A residue 84 type ligand sequence H description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 8) chain A residue 85 type ligand sequence Q description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 9) chain A residue 86 type ligand sequence D description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 10) chain A residue 89 type ligand sequence K description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 11) chain A residue 134 type ligand sequence L description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 12) chain A residue 145 type ligand sequence D description BINDING SITE FOR RESIDUE CK4 A1297 source : AC1 13) chain A residue 127 type ACT_SITE ligand sequence D description Proton acceptor. source Swiss-Prot : SWS_FT_FI1 14) chain A residue 132 type METAL ligand sequence N description Magnesium. {ECO:0000269|PubMed:21565702} source Swiss-Prot : SWS_FT_FI2 15) chain A residue 145 type METAL ligand sequence D description Magnesium. {ECO:0000269|PubMed:21565702} source Swiss-Prot : SWS_FT_FI2 16) chain A 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_FI3 17) chain A 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_FI3 18) chain A 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_FI3 19) chain A residue 9 type SITE ligand sequence K description CDK7 binding. source Swiss-Prot : SWS_FT_FI4 20) chain A residue 88-89 type SITE ligand sequence KK description CDK7 binding. source Swiss-Prot : SWS_FT_FI4 21) chain A residue 166 type SITE ligand sequence L description CDK7 binding. source Swiss-Prot : SWS_FT_FI4 22) chain A 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_FI5 23) chain A 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_FI5 24) chain A 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_FI5 25) chain A residue 149 type catalytic ligand sequence A description Mapped from 2phk to 2c5v using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892 source extCATRES : extCATRES1 26) chain A residue 151 type catalytic ligand sequence A description Mapped from 2phk to 2c5v using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892 source extCATRES : extCATRES1 27) chain A 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_A_1297 28) chain A 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_A_1297 29) chain A 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_A_1297 30) chain A 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_A_1297 31) chain A 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_A_1297 32) chain A 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_A_1297 33) chain A 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_A_1297 34) chain A 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_A_1297 35) chain A 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_A_1297 36) chain A residue 132 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence N description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_A_1297 37) chain A 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_A_1297 38) chain A residue 145 type binding ligand CK4: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE sequence D description 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE binding site source pdb_hetatom : CK4_2c5v_A_1297 39) chain A residue 131 type catalytic ligand sequence Q description Annotated By Reference To The Literature 1ir3 source CSA : CSA1 40) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA1 41) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA3 42) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA3 43) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 44) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 45) chain A residue 165 type catalytic ligand sequence T description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 46) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA7 47) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA7 48) chain A residue 132 type catalytic ligand sequence N description Annotated By Reference To The Literature 1ir3 source CSA : CSA7

Display surface Download Links