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Information on SUBCLASS 2.8.1
Subclass Accession number: 3728
Subclass: 2.8.1 PSSM
Type: AR beta-beta link
DB: ArchDB95

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 13

Average sequence ID (%) : 15.9 +/- 20.8
Average RMSD (Å) : 0.600 +/- 0.173

Consensus geometry
d (Å): 9 delta (°): 45-90 theta (°): 90-135 rho (°): 270-315
Consensus Sequence: XppXhX
(φψ)-conformation: bbalbb
Pattern: x[cdknrty][dnt]x[aivwy]xxx
Conservation:-0.877-0.3981.860-0.7700.0660.120-1.000-1.000
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1gpu_A_1801gpu   A185190DDNKIT..EE-SEE..xxalbb..
1itz_A_1911itz   A196201DDNHIS..EE-SEE..xxalbb..
1l8a_A_2531l8a   A258263NCNLQR..EE-SEE..xxavbb..
1lcy_A_2271lcy   A227234RYIGVMMLEE--EEEExbavbbbb
1ols_A_2151ols   A220225RNNGYA..EE-SEE..xbavbb..
1pz7_A_1441pz7   A145152DTDGALWLEE--EEEExbavxbbb
1pz8_A_1411pz8   A142149DTDGALWLEESSEEEExbagxbbb
1q5h_A_391q5h   A4350VKTDIQIAEE--EEEExxalbbbb
1qgd_A_1781qgd   A183188DDNGIS..EE-SEE..xxavbb..
1qks_A_1891qks   A193200LDTGYAVHEE-SS-EEbxavbxxa
1qs0_A_2351qs0   A240245VNNQWA..EE-SEE..xxavbb..
1six_A_421six   A4552VRTGVAVAEE-SEEEEbxavbbbb
1umd_A_1971umd   A202207ENNFYA..EE-SEE..bxavbb..
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1gpu_A_1801gpu   A     CACALCIUM ION D - 185
1gpu_A_1801gpu   A     THD2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE D - 185
1gpu_A_1801gpu   A     CACALCIUM ION D - 186
1gpu_A_1801gpu   A     CACALCIUM ION N - 187
1gpu_A_1801gpu   A     THD2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE N - 187
1gpu_A_1801gpu   A     CACALCIUM ION K - 188
1gpu_A_1801gpu   A     CACALCIUM ION I - 189
1gpu_A_1801gpu   A     THD2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE I - 189
1gpu_A_1801gpu   A     CACALCIUM ION T - 190
1gpu_A_1801gpu   A     THD2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE T - 190
1itz_A_1911itz   A     MGMAGNESIUM ION D - 196
1itz_A_1911itz   A     TPPTHIAMINE DIPHOSPHATE D - 196
1itz_A_1911itz   A     MGMAGNESIUM ION D - 197
1itz_A_1911itz   A     MGMAGNESIUM ION N - 198
1itz_A_1911itz   A     TPPTHIAMINE DIPHOSPHATE N - 198
1itz_A_1911itz   A     MGMAGNESIUM ION H - 199
1itz_A_1911itz   A     MGMAGNESIUM ION I - 200
1itz_A_1911itz   A     TPPTHIAMINE DIPHOSPHATE I - 200
1itz_A_1911itz   A     MGMAGNESIUM ION S - 201
1itz_A_1911itz   A     TPPTHIAMINE DIPHOSPHATE S - 201
1l8a_A_2531l8a   A     TDPTHIAMIN DIPHOSPHATE N - 258
1l8a_A_2531l8a   A     MGMAGNESIUM ION N - 258
1l8a_A_2531l8a   A     MGMAGNESIUM ION C - 259
1l8a_A_2531l8a   A     TDPTHIAMIN DIPHOSPHATE N - 260
1l8a_A_2531l8a   A     MGMAGNESIUM ION N - 260
1l8a_A_2531l8a   A     MGMAGNESIUM ION L - 261
1l8a_A_2531l8a   A     TDPTHIAMIN DIPHOSPHATE Q - 262
1l8a_A_2531l8a   A     MGMAGNESIUM ION Q - 262
1l8a_A_2531l8a   A     TDPTHIAMIN DIPHOSPHATE R - 263
1l8a_A_2531l8a   A     MGMAGNESIUM ION R - 263
1ols_A_2151ols   A     MNMANGANESE (II) ION R - 220
1ols_A_2151ols   A     TDPTHIAMIN DIPHOSPHATE R - 220
1ols_A_2151ols   A     MNMANGANESE (II) ION N - 221
1ols_A_2151ols   A     MNMANGANESE (II) ION N - 222
1ols_A_2151ols   A     TDPTHIAMIN DIPHOSPHATE N - 222
1ols_A_2151ols   A     MNMANGANESE (II) ION G - 223
1ols_A_2151ols   A     MNMANGANESE (II) ION Y - 224
1ols_A_2151ols   A     TDPTHIAMIN DIPHOSPHATE Y - 224
1ols_A_2151ols   A     MNMANGANESE (II) ION A - 225
1ols_A_2151ols   A     TDPTHIAMIN DIPHOSPHATE A - 225
1pz7_A_1441pz7   A     CACALCIUM ION L - 144
1pz7_A_1441pz7   A     CACALCIUM ION D - 145
1pz8_A_1411pz8   A     CACALCIUM ION L - 141
1pz8_A_1411pz8   A     CACALCIUM ION D - 142
1qgd_A_1781qgd   A     CACALCIUM ION D - 183
1qgd_A_1781qgd   A     TPPTHIAMINE DIPHOSPHATE D - 183
1qgd_A_1781qgd   A     CACALCIUM ION N - 185
1qgd_A_1781qgd   A     TPPTHIAMINE DIPHOSPHATE N - 185
1qgd_A_1781qgd   A     CACALCIUM ION G - 186
1qgd_A_1781qgd   A     CACALCIUM ION I - 187
1qgd_A_1781qgd   A     TPPTHIAMINE DIPHOSPHATE I - 187
1qgd_A_1781qgd   A     CACALCIUM ION S - 188
1qgd_A_1781qgd   A     TPPTHIAMINE DIPHOSPHATE S - 188
1qks_A_1891qks   A     DHEHEME D V - 199
1qks_A_1891qks   A     DHEHEME D H - 200
1qks_A_1891qks   A     DHEHEME D I - 201
1qks_A_1891qks   A     DHEHEME D R - 203
1qs0_A_2351qs0   A     MSESELENOMETHIONINE V - 235
1qs0_A_2351qs0   A     MGMAGNESIUM ION V - 240
1qs0_A_2351qs0   A     TDPTHIAMIN DIPHOSPHATE V - 240
1qs0_A_2351qs0   A     MGMAGNESIUM ION N - 241
1qs0_A_2351qs0   A     MGMAGNESIUM ION N - 242
1qs0_A_2351qs0   A     TDPTHIAMIN DIPHOSPHATE N - 242
1qs0_A_2351qs0   A     MGMAGNESIUM ION Q - 243
1qs0_A_2351qs0   A     MGMAGNESIUM ION W - 244
1qs0_A_2351qs0   A     TDPTHIAMIN DIPHOSPHATE W - 244
1qs0_A_2351qs0   A     MGMAGNESIUM ION A - 245
1qs0_A_2351qs0   A     TDPTHIAMIN DIPHOSPHATE A - 245
1umd_A_1971umd   A     MGMAGNESIUM ION E - 202
1umd_A_1971umd   A     TDPTHIAMIN DIPHOSPHATE E - 202
1umd_A_1971umd   A     MGMAGNESIUM ION N - 203
1umd_A_1971umd   A     MGMAGNESIUM ION N - 204
1umd_A_1971umd   A     TDPTHIAMIN DIPHOSPHATE N - 204
1umd_A_1971umd   A     MGMAGNESIUM ION F - 205
1umd_A_1971umd   A     MGMAGNESIUM ION Y - 206
1umd_A_1971umd   A     TDPTHIAMIN DIPHOSPHATE Y - 206
1umd_A_1971umd   A     MGMAGNESIUM ION A - 207
1umd_A_1971umd   A     TDPTHIAMIN DIPHOSPHATE A - 207
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1gpu_A_1801gpu   A AC1CA BINDING SITE FOR CHAIN AN - 187
1gpu_A_1801gpu   A AC1CA BINDING SITE FOR CHAIN AI - 189
1ols_A_2151ols   A TDPTDP BINDING SITE FOR CHAIN AR - 220
1ols_A_2151ols   A MN1MN BINDING SITE FOR CHAIN AN - 222
1ols_A_2151ols   A MN1MN BINDING SITE FOR CHAIN AY - 224
1ols_A_2151ols   A TDPTDP BINDING SITE FOR CHAIN AA - 225
1qgd_A_1781qgd   A TPACOFACTOR BINDINGN - 185
1qgd_A_1781qgd   A TPACOFACTOR BINDINGI - 187
1qgd_A_1781qgd   A TPACOFACTOR BINDINGS - 188

Clusters included in this Subclass
CLUSTER: AR.3.52