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Information on SUBCLASS 3.1.1
Subclass Accession number: 162
Subclass: 3.1.1
Type: HH alpha-alpha
DB: ArchDB-KI
 Number of loops: 4

Average sequence ID (%) : 100.0 +/- 0.0
Average RMSD (Å) : 0.12 +/- 0.02

Consensus geometry
d (Å): 5 delta (°): 45-90 theta (°): 45-90 rho (°): 45-90
Consensus Sequence: LGASETI
(φψ)-conformation: aabplaa
Pattern: [M][T][Y][W][R][V][L][G][A][S][E][T][I][A][N][I][Y][T][T][Q][H][R][L][D]
Conservation:-0.204-0.2041.0213.470-0.204-0.816-0.8160.408-0.816-0.816-0.204-0.204-0.816-0.8160.408-0.8161.021-0.204-0.204-0.2041.633-0.204-0.8160.408
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1kim_A_851kim   A85108MTYWRVLGASETIANIYTTQHRLDHHHHHTTSSS-HHHHHHHHHHHHHaaaaaaaabxlaaaaaaaaaaaaa
1qhi_A_851qhi   A85108MTYWRVLGASETIANIYTTQHRLDHHHHHTTSSS-HHHHHHHHHHHHHaaaaaaaabxlaaaaaaaaaaaaa
1vtk_*_851vtk   -85108MTYWRVLGASETIANIYTTQHRLDHHHHHTTSSSSHHHHHHHHHHHHHaaaaaaaabxlaaaaaaaaaaaaa
2ki5_A_852ki5   A85108MTYWRVLGASETIANIYTTQHRLDHHHHHTTSSS-HHHHHHHHHHHHHaaaaaaaabxlaaaaaaaaaaaaa
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1kim_A_851kim   A     THMTHYMIDINE W - 88
1kim_A_851kim   A     THMTHYMIDINE I - 97
1kim_A_851kim   A     THMTHYMIDINE I - 100
1kim_A_851kim   A     THMTHYMIDINE Y - 101
1vtk_*_851vtk   *     TMPTHYMIDINE-5'-PHOSPHATE M - 85
1vtk_*_851vtk   *     TMPTHYMIDINE-5'-PHOSPHATE W - 88
1vtk_*_851vtk   *     TMPTHYMIDINE-5'-PHOSPHATE I - 97
1vtk_*_851vtk   *     TMPTHYMIDINE-5'-PHOSPHATE I - 100
1vtk_*_851vtk   *     TMPTHYMIDINE-5'-PHOSPHATE Y - 101
2ki5_A_852ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE W - 88
2ki5_A_852ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE I - 97
2ki5_A_852ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE I - 100
2ki5_A_852ki5   A     AC29-HYROXYETHOXYMETHYLGUANINE Y - 101
Bibliographic annotations
LoopPDBChainAnnotationResidue
1kim_A_851kim   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 RESIDUEY - 101
1qhi_A_851qhi   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 RESIDUEY - 101
2ki5_A_852ki5   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 RESIDUEY - 101

Clusters included in this Subclass
CLUSTER: HH.5.7