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Information on SUBCLASS 1.1.1
Subclass Accession number: 89
Subclass: 1.1.1
Type: HE alpha-beta
DB: ArchDB-KI
 Number of loops: 21

Average sequence ID (%) : 18.3 +/- 1.7
Average RMSD (Å) : 0.40 +/- 0.15

Consensus geometry
d (Å): 7 delta (°): 90-135 theta (°): 135-180 rho (°): 90-135
Consensus Sequence: XpXXX
(φψ)-conformation: aalbb
Pattern: {AFGILMV}{DEHKNR}x{ACGLMV}x{AEKL}{EHKNQRS}{GN}xx{CFITV}
Conservation:0.3150.864-0.891-0.109-0.9490.605-0.1802.230-0.917-1.1020.133
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
16pk_*_26516pk   -272282LKKAEDRKVQVHHHHHHTT-EEaaaaaaavxxx
16pk_*_35116pk   -361371GRGTHEHGLMSHHHHHHH--EEaaaaaaavpxb
16pk_*_3816pk   -4757LKKVLTEGGSCHHHHHHTT-EEaaaaaaavbbb
1bx4_A_1761bx4   A183193AHHASENNRIFHHHHHHTT-EEaaaaaaalbxb
1bx4_A_941bx4   A100110KRKAAEAHVDAHHHHHHTT-EEaaaaaaavxxx
1c3q_A_291c3q   A3343ANGLLALGASPHHHHHHHT-EEaaaaaaagxb-
1dek_A_1791dek   A182192MDAARAMGATVHHHHHHTT-EEaaaaaaavxxb
1gky_*_821gky   -8595VKQVSKSGKTCHHHHHHHTSEEaaaaaaavbxx
1kob_A_1481kob   A162171LKHMHEHSIV.HHHHHHTTEE.aaaaaaalbb.
1php_*_2431php   -250260MEKAKEKGVRFHHHHHHHT-EEaaaaaaavxxb
1php_*_351php   -4454IRYLIEHGAKVHHHHHHTT-EEaaaaaaavxbx
1pky_A_2561pky   A264274IEKCIRARKVVHHHHHHTT-EEaaaaaaalbxb
1qpg_*_2571qpg   -267277MEKAKAKGVEVHHHHHHHT-EEaaaaaaavxxx
1qpg_*_3471qpg   -356366VVKSSAAGNTVHHHHHHHT-EEaaaaaaagxxb
1rkd_*_1461rkd   -153163AKIAHQNKTIVHHHHHHTT-EEaaaaaaavxxb
1vpe_*_2431vpe   -250260VEKAKEKGVEIHHHHHHTT-EEaaaaaaavbxb
1vpe_*_3301vpe   -339349IAALTEKGAITHHHHHHTT-EEaaaaaaagxxb
1vpe_*_351vpe   -4454IKYALEQGAKVHHHHHHTT-EEaaaaaaavxbb
3bif_A_1343bif   A141151FNFGEQNGYKTHHHHHHTT-EEaaaaaaavbbb
3tmk_A_773tmk   A8090IKKDLLEGKNIHHHHHHTT-EEaaaaaaavxbb
4tmk_*_864tmk   -8696IKPALANGTWVHHHHHHTT-EEaaaaaaavxxb
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
16pk_*_3816pk   *     BIS1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER R - 39
1bx4_A_1761bx4   A     MO6MAGNESIUM ION, 6 WATERS COORDINATED N - 196
1c3q_A_291c3q   A     TZE2-(4-METHYL-THIAZOL-5-YL)-ETHANOL A - 33
1c3q_A_291c3q   A     TZE2-(4-METHYL-THIAZOL-5-YL)-ETHANOL P - 43
1c3q_A_291c3q   A     TZE2-(4-METHYL-THIAZOL-5-YL)-ETHANOL V - 44
1c3q_A_291c3q   A     TZE2-(4-METHYL-THIAZOL-5-YL)-ETHANOL M - 45
1dek_A_1791dek   A     DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE H - 180
1dek_A_1791dek   A     DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE E - 181
1gky_*_821gky   *     5GPGUANOSINE-5'-MONOPHOSPHATE D - 98
1vpe_*_351vpe   *     ANPPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER R - 36
1vpe_*_351vpe   *     3PG3-PHOSPHOGLYCERIC ACID R - 36
1vpe_*_3301vpe   *     ANPPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER G - 352
3tmk_A_773tmk   A     T5AP1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE D - 93
Bibliographic annotations
LoopPDBChainAnnotationResidue
1bx4_A_1761bx4   RefI.I.MATHEWS,M.D.ERION,S.E.EALICK. STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.5 A RESOLUTION  BIOCHEMISTRY v.37;15607,1998AMg ION BINDING RESIDUEN - 196
1c3q_A_291c3q   RefN.CAMPOBASSO,I.I.MATHEWS,T.P.BEGLEY,S.E.EALICK. CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION  BIOCHEMISTRY v.39;7868,2000ATHIAZOLE BINDING RESIDUEA - 33
1c3q_A_291c3q   RefN.CAMPOBASSO,I.I.MATHEWS,T.P.BEGLEY,S.E.EALICK. CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION  BIOCHEMISTRY v.39;7868,2000ATHIAZOLE BINDING RESIDUEA - 33
1c3q_A_291c3q   RefN.CAMPOBASSO,I.I.MATHEWS,T.P.BEGLEY,S.E.EALICK. CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION  BIOCHEMISTRY v.39;7868,2000ATHIAZOLE BINDING RESIDUEL - 37
1c3q_A_291c3q   RefN.CAMPOBASSO,I.I.MATHEWS,T.P.BEGLEY,S.E.EALICK. CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION  BIOCHEMISTRY v.39;7868,2000ATHIAZOLE BINDING RESIDUEP - 43
1c3q_A_291c3q   RefN.CAMPOBASSO,I.I.MATHEWS,T.P.BEGLEY,S.E.EALICK. CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION  BIOCHEMISTRY v.39;7868,2000ATHIAZOLE BINDING RESIDUEM - 45
1dek_A_1791dek   RefA.TEPLYAKOV,P.SEBASTIAO,G.OBMOLOVA,A.PERRAKIS,G.S.BRUSH,M.J.BESSMAN,K.S.WILSON. CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 DEOXYNUCLEOTIDE KINASE WITH ITS SUBSTRATES DGMP AND ATP  EMBO J. v.15;3487,1996ANMP BINDING RESIDUEE - 181
3bif_A_1343bif   RefM.H.YUEN,X.WANG,H.MIZUGUCHI,K.UYEDA,C.A.HASEMANN. A SWITCH IN THE KINASE DOMAIN OF RAT TESTIS 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE- 2,6-BISPHOSPHATASE  BIOCHEMISTRY v.38;12333,1999AF6P BINDING RESIDUER - 136
3tmk_A_773tmk   RefA.LAVIE,M.KONRAD,R.BRUNDIERS,R.S.GOODY,I.SCHLICHTING,J.REINSTEIN. CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR P1-(5'-ADENOSYL) P5-(5'-THYMIDYL) PENTAPHOSPHATE (TP5A) AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION  BIOCHEMISTRY v.37;3677,1998AMg ION BINDING RESIDUED - 93
3tmk_A_773tmk   RefA.LAVIE,M.KONRAD,R.BRUNDIERS,R.S.GOODY,I.SCHLICHTING,J.REINSTEIN. CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR P1-(5'-ADENOSYL) P5-(5'-THYMIDYL) PENTAPHOSPHATE (TP5A) AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION  BIOCHEMISTRY v.37;3677,1998AMg ION BINDING RESIDUED - 93

Clusters included in this Subclass
CLUSTER: HE.2.1
CLUSTER: HE.2.18
CLUSTER: HE.2.25
CLUSTER: HE.2.5
CLUSTER: HE.3.0
CLUSTER: HE.4.1