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Information on SUBCLASS 2.3.1
Subclass Accession number: 31
Subclass: 2.3.1
Type: EH beta-alpha
DB: ArchDB-KI
 Number of loops: 4

Average sequence ID (%) : 100.0 +/- 0.0
Average RMSD (Å) : 0.09 +/- 0.02

Consensus geometry
d (Å): 9 delta (°): 45-90 theta (°): 0-45 rho (°): 45-90
Consensus Sequence: FDRHPI
(φψ)-conformation: bpebaa
Pattern: [L][T][L][I][F][D][R][H][P][I][A][A][L]
Conservation:-0.7390.000-0.739-0.7390.7390.7390.0002.2161.477-0.739-0.739-0.739-0.739
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1kim_A_1571kim   A157169LTLIFDRHPIAALEEEEEES-HHHHHbbbbxxebaaaaa
1qhi_A_1571qhi   A157169LTLIFDRHPIAALEEEEEE--HHHHHbbbbxxebaaaaa
1vtk_*_1571vtk   -157169LTLIFDRHPIAALEEEEEES-HHHHHbbbbxxebaaaaa
2ki5_A_1572ki5   A157169LTLIFDRHPIAALEEEEEE--HHHHHbbbbbxebaaaaa
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1kim_A_1571kim   A     THMTHYMIDINE R - 163
1kim_A_1571kim   A     THMTHYMIDINE A - 167
1kim_A_1571kim   A     THMTHYMIDINE A - 168
1kim_A_1571kim   A     THMTHYMIDINE L - 169
1vtk_*_1571vtk   *     ADPADENOSINE-5'-DIPHOSPHATE D - 162
1vtk_*_1571vtk   *     TMPTHYMIDINE-5'-PHOSPHATE D - 162
1vtk_*_1571vtk   *     ADPADENOSINE-5'-DIPHOSPHATE R - 163
1vtk_*_1571vtk   *     TMPTHYMIDINE-5'-PHOSPHATE R - 163
1vtk_*_1571vtk   *     TMPTHYMIDINE-5'-PHOSPHATE A - 167
1vtk_*_1571vtk   *     TMPTHYMIDINE-5'-PHOSPHATE A - 168
1vtk_*_1571vtk   *     TMPTHYMIDINE-5'-PHOSPHATE L - 169
2ki5_A_1572ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE D - 162
2ki5_A_1572ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE R - 163
2ki5_A_1572ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE A - 167
2ki5_A_1572ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE A - 168
Bibliographic annotations
LoopPDBChainAnnotationResidue
1kim_A_1571kim   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;350,1998ANMP BINDING RESIDUE D - 162
1kim_A_1571kim   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;350,1998ANMP BINDING RESIDUE D - 162
1kim_A_1571kim   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;350,1998ANMP BINDING RESIDUER - 163
1qhi_A_1571qhi   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;121,1999ANMP BINDING RESIDUE D - 162
1qhi_A_1571qhi   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;121,1999ANMP BINDING RESIDUE D - 162
1qhi_A_1571qhi   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;121,1999ANMP BINDING RESIDUER - 163
2ki5_A_1572ki5   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;121,1999ANMP BINDING RESIDUE D - 162
2ki5_A_1572ki5   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;121,1999ANMP BINDING RESIDUE D - 162
2ki5_A_1572ki5   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;121,1999ANMP BINDING RESIDUER - 163

Clusters included in this Subclass
CLUSTER: EH.1.1