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 10-33 type prosite ligand sequence IGEGTYGVVYKARNKLTGEVVALK description Protein kinases ATP-binding region signature.[LIV]-G-{P}-G-{P}-[FYWMGSTNH]-[SGA]-{PW}-[LIVCAT]-{PD}-x-[GSTACLIVMFY]-x(5,18)-[LIVMFYWCSTAR]-[AIVP]-[LIVMFAGCKR]-K. source prosite : PS00107 28) chain A residue 123-135 type prosite ligand sequence VLHRDLKPQNLLI description Serine/Threonine protein kinases active-site signature.[LIVMFYC]-x-[HY]-x-D-[LIVMFY]-K-x(2)-N-[LIVMFYCT](3). source prosite : PS00108 29) chain A residue 131 type catalytic ligand sequence Q description Annotated By Reference To The Literature 1ir3 source CSA : CSA1 30) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA1 31) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA3 32) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA3 33) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 34) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 35) chain A residue 165 type catalytic ligand sequence T description Annotated By Reference To The Literature 1ir3 source CSA : CSA5 36) chain A residue 127 type catalytic ligand sequence D description Annotated By Reference To The Literature 1ir3 source CSA : CSA7 37) chain A residue 129 type catalytic ligand sequence K description Annotated By Reference To The Literature 1ir3 source CSA : CSA7 38) chain A residue 132 type catalytic ligand sequence N description Annotated By Reference To The Literature 1ir3 source CSA : CSA7

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