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Information on SUBCLASS 1.2.2
Subclass Accession number: 97
Subclass: 1.2.2
Type: HE alpha-beta
DB: ArchDB-KI
Number of loops: 4

Average sequence ID (%) : 100.0 +/- 0.0
Average RMSD (Å) : 0.13 +/- 0.03

Consensus geometry
d (Å): 9 delta (°): 45-90 theta (°): 45-90 rho (°): 135-180
Consensus Sequence: PHIGG
(φψ)-conformation: aapbp
Pattern: [A][G][D][A][A][V][V][M][T][S][A][Q][I][T][M][G][M][P][Y][A][V][T][D][A][V][L][A][P][H][I][G][G][E]
Conservation:-0.8730.8730.873-0.873-0.873-0.873-0.8730.0000.000-0.873-0.8730.000-0.8730.0000.0000.8730.0001.7461.746-0.873-0.8730.0000.873-0.873-0.873-0.873-0.8731.7462.619-0.8730.8730.8730.000
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1kim_A_1141kim   A114146AGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEHHHHHHHHHHHHHHHHHHHHHHHHHHGGGEEEEaaaaaaaaaaaaaaaaaaaaaaaaaaaaaxbxx
1qhi_A_1141qhi   A114146AGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEHHHHHHHHHHHHHHHHHHHHHHHHHHGGGEEEEaaaaaaaaaaaaaaaaaaaaaaaaaaaaaxbxp
1vtk_*_1141vtk   -114146AGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEHHHHHHHHHHHHHHHHHHHHHHHHHHGGGEEEEaaaaaaaaaaaaaaaaaaaaaaaaaaaaaxbpx
2ki5_A_1142ki5   A114146AGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEHHHHHHHHHHHHHHHHHHHHHHHHHHGGGEEEEaaaaaaaaaaaaaaaaaaaaaaaaaaaaaxbxp
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1kim_A_1141kim   A     THMTHYMIDINE Q - 125
1kim_A_1141kim   A     THMTHYMIDINE M - 128
1kim_A_1141kim   A     THMTHYMIDINE G - 129
1kim_A_1141kim   A     THMTHYMIDINE Y - 132
1vtk_*_1141vtk   *     TMPTHYMIDINE-5'-PHOSPHATE Q - 125
1vtk_*_1141vtk   *     TMPTHYMIDINE-5'-PHOSPHATE M - 128
1vtk_*_1141vtk   *     TMPTHYMIDINE-5'-PHOSPHATE G - 129
1vtk_*_1141vtk   *     TMPTHYMIDINE-5'-PHOSPHATE Y - 132
2ki5_A_1142ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE M - 121
2ki5_A_1142ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE Q - 125
2ki5_A_1142ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE M - 128
2ki5_A_1142ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE G - 129
2ki5_A_1142ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE Y - 132
Bibliographic annotations
LoopPDBChainAnnotationResidue
1kim_A_1141kim   RefJ.N.CHAMPNESS,M.S.BENNETT,F.WIEN,R.VISSE,W.C.SUMMERS,P.HERDEWIJN,E.DECLERCQ,T.OSTROWSKI,R.L.JARVEST,M.R.SANDERSON. EXPLORATION OF THE ACTIVE SITE OF HERPES SIMPLEX VIRUS THYMIDINE KINASE BY X-RAY CRYSTALLOGRAPHY OF THE ENZYME IN COMPLEX WITH ITS SUBSTRATE, ANTIVIRAL DRUGS AND OTHER NUCLEOSIDE ANALOGUES  PROTEINS v.32;350,1998AINHIBITOR BINDING RESIDUE Q - 125
1kim_A_1141kim   RefJ.N.CHAMPNESS,M.S.BENNETT,F.WIEN,R.VISSE,W.C.SUMMERS,P.HERDEWIJN,E.DECLERCQ,T.OSTROWSKI,R.L.JARVEST,M.R.SANDERSON. EXPLORATION OF THE ACTIVE SITE OF HERPES SIMPLEX VIRUS THYMIDINE KINASE BY X-RAY CRYSTALLOGRAPHY OF THE ENZYME IN COMPLEX WITH ITS SUBSTRATE, ANTIVIRAL DRUGS AND OTHER NUCLEOSIDE ANALOGUES  PROTEINS v.32;350,1998AINHIBITOR BINDING RESIDUE M - 128
1qhi_A_1141qhi   RefM.S.BENNETT,F.WIEN,J.N.CHAMPNESS,T.BATUWANGALA,T.RUTHERFORD,W.C.SUMMERS,H.SUN,G.WRIGHT,M.R.SANDERSON. STRUCTURE TO 1.9A RESOLUTION OF A COMPLEX WITH HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE OF A NOVEL NON-SUBSTRATE INHIBITOR: X-RAY CRYSTALLOGRAPHIC COMPARISON WITH BINDING OF ACICLOVIR  FEBS LETT. v.443;121,1999AINHIBITOR BINDING RESIDUE Q - 125
1qhi_A_1141qhi   RefM.S.BENNETT,F.WIEN,J.N.CHAMPNESS,T.BATUWANGALA,T.RUTHERFORD,W.C.SUMMERS,H.SUN,G.WRIGHT,M.R.SANDERSON. STRUCTURE TO 1.9A RESOLUTION OF A COMPLEX WITH HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE OF A NOVEL NON-SUBSTRATE INHIBITOR: X-RAY CRYSTALLOGRAPHIC COMPARISON WITH BINDING OF ACICLOVIR  FEBS LETT. v.443;121,1999AINHIBITOR BINDING RESIDUE M - 128
2ki5_A_1142ki5   RefM.S.BENNETT,F.WIEN,J.N.CHAMPNESS,T.BATUWANGALA,T.RUTHERFORD,W.C.SUMMERS,H.SUN,G.WRIGHT,M.R.SANDERSON. STRUCTURE TO 1.9A RESOLUTION OF A COMPLEX WITH HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE OF A NOVEL NON-SUBSTRATE INHIBITOR: X-RAY CRYSTALLOGRAPHIC COMPARISON WITH BINDING OF ACICLOVIR  FEBS LETT. v.443;121,1999AINHIBITOR BINDING RESIDUE Q - 125
2ki5_A_1142ki5   RefM.S.BENNETT,F.WIEN,J.N.CHAMPNESS,T.BATUWANGALA,T.RUTHERFORD,W.C.SUMMERS,H.SUN,G.WRIGHT,M.R.SANDERSON. STRUCTURE TO 1.9A RESOLUTION OF A COMPLEX WITH HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE OF A NOVEL NON-SUBSTRATE INHIBITOR: X-RAY CRYSTALLOGRAPHIC COMPARISON WITH BINDING OF ACICLOVIR  FEBS LETT. v.443;121,1999AINHIBITOR BINDING RESIDUE M - 128

Clusters included in this Subclass
CLUSTER: HE.2.22