eF-site ID 1oiy-A PDB Code 1oiy Chain A click to enlarge Title Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Classification KINASE Compound CELL DIVISION PROTEIN KINASE 2 Source Homo sapiens (Human) (CGA2_HUMAN) Sequence A:  SMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLTE GVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEF LHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHR VLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYXHE VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRAL FPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPK WARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALA HPFFQDVTKPVPHL Description (1)  CELL DIVISION PROTEIN KINASE 2 (E.C.2.7.1.37), CYCLIN A2 Functional site 1) chain A residue 10 type ligand sequence I description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 2) chain A residue 12 type ligand sequence E description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 3) chain A residue 18 type ligand sequence V description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 4) chain A residue 31 type ligand sequence A description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 5) chain A residue 64 type ligand sequence V description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 6) chain A residue 80 type ligand sequence F description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 7) chain A residue 81 type ligand sequence E description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 8) chain A residue 83 type ligand sequence L description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 9) chain A residue 84 type ligand sequence H description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 10) chain A residue 86 type ligand sequence D description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 11) chain A residue 89 type ligand sequence K description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 12) chain A residue 131 type ligand sequence Q description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 13) chain A residue 132 type ligand sequence N description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 14) chain A residue 134 type ligand sequence L description BINDING SITE FOR RESIDUE N41 A1298 source : AC2 15) chain A residue 131 type ACT_SITE ligand sequence Q description Proton acceptor. source Swiss-Prot : SWS_FT_FI1 16) chain A residue 37 type BINDING ligand sequence L description ATP. source Swiss-Prot : SWS_FT_FI2 17) chain A residue 90 type BINDING ligand sequence F description ATP. source Swiss-Prot : SWS_FT_FI2 18) chain A residue 149 type BINDING ligand sequence A description ATP. source Swiss-Prot : SWS_FT_FI2 19) chain A residue 14-22 type NP_BIND ligand sequence TYGVVYKAR description ATP. source Swiss-Prot : SWS_FT_FI3 20) chain A residue 85-87 type NP_BIND ligand sequence QDL description ATP. source Swiss-Prot : SWS_FT_FI3 21) chain A residue 133-136 type NP_BIND ligand sequence LLIN description ATP. source Swiss-Prot : SWS_FT_FI3 22) chain A residue 149 type catalytic ligand sequence A description Mapped from 2phk to 1oiy using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892 source extCATRES : extCATRES1 23) chain A residue 151 type catalytic ligand sequence A description Mapped from 2phk to 1oiy using BLAST. All catalytic residues present. Original details record follows: a catalytic site defined by CATRES, Medline 98031892 source extCATRES : extCATRES1 24) chain A residue 10-13 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence IGEG description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 25) chain A residue 18 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence V description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 26) chain A residue 31 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence A description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 27) chain A residue 64 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence V description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 28) chain A residue 80-86 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence FEFLHQD description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 29) chain A residue 89 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence K description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 30) chain A residue 131-132 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence QN description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 31) chain A residue 134 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence L description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 32) chain A residue 144-145 type binding ligand N41: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE sequence AD description 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE binding site source pdb_hetatom : N41_1oiy_A_1298 33) chain A residue 57 type binding ligand SGM: MONOTHIOGLYCEROL sequence E description MONOTHIOGLYCEROL binding site source pdb_hetatom : SGM_1oiy_B_1193 34) chain A residue 131 type catalytic ligand sequence Q description Annotated By Reference To The Literature 1ir3 source CSA : CSA1 35) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA1 36) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA3 37) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA3 38) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 39) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 40) chain A residue 165 type catalytic ligand sequence T description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 41) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA7 42) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA7 43) chain A residue 132 type catalytic ligand sequence N description Annotated By Reference To The Literature 1ir3 source CSA : CSA7

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