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Information on SUBCLASS 3.1.3
Subclass Accession number: 8299
Subclass: 3.1.3 PSSM
Type: HE alpha-beta
DB: ArchDB-EC

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 43

Average sequence ID (%) : 16.6 +/- 18.0
Average RMSD (Å) : 0.647 +/- 0.234

Consensus geometry
d (Å): 9 delta (°): 90-135 theta (°): 135-180 rho (°): 315-360
Consensus Sequence: XXchpXh
(φψ)-conformation: aagpabb
Pattern: x[acfgilpv]x[adeknqrst][aeknqrs][DEGKNR][ACFGILPVY][adegknqrst]x[afilmtv][afgiklmtv]
Conservation:-0.904-0.407-0.696-0.295-0.3962.6920.3340.263-0.7200.473-0.345
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1agx_*_2301agx   -234244AFAKAGVKAIIHHHTTT-SEEEaaaaavxabbx
1amu_A_2621amu   A268278YINQKEITVITHHHHTT--EEEaaaaalxabbb
1b16_A_161b16   A2434ELVKRNLKNFVHHHHTT-SEEEaaaaavpabbb
1bgv_A_3281bgv   A333343KIVANNVKYYIHHHHTT--EEEaaaaavxabbb
1bif_*_961bif   -116126FLSEEGGHVAVHHHTT--SEEEaaaaavxabbb
1brm_A_1121brm   A121131DGLNNGIRTFVHHHHTT--EEEaaaaavxabbb
1cdo_A_2031cdo   A211221GCHSAGAKRIIHHHHTT-SEEEaaaaavxabbx
1cvr_A_1631cvr   A173183LLTQYGYTKIIHHHHHT-SEEEaaaaagpabbx
1d1t_A_2021d1t   A210220GCKSAGASRIIHHHHTT-SEEEaaaaavpabbb
1d7k_B_1171d7k   B122132YAANNGVQMMTHHHHTT--EEEaaaaavbaxbb
1e0t_A_1721e0t   A180190FGCEQGVDFVAHHHHHT-SEEEaaaaavxabbx
1e19_A_2741e19   A283293RFIEWGGERAIHHHHHT-SEEEaaaaagxabbb
1e6u_A_761e6u   A93103AAHQNDVNKLLHHHHTT--EEEaaaaalxabbb
1ed8_A_1911ed8   A194204QLLNARADVTLHHHHH--SEEEaaaaalxabbb
1ekj_A_1971ekj   A206216AVLHLKVSNIVHHHTS--SEEEaaaaavpabbb
1f3t_A_1171f3t   A122132YARDSGVDVMTHHHHTT--EEEaaaaavxaxbb
1gg4_A_3671gg4   A378388AAKAAGIDRVLHHHHHT-SEEEaaaaavxabbx
1hdg_O_1071hdg   O107117LHLQAGAKKVIHHHHTT-SEEEaaaaagxabbb
1ihu_A_2091ihu   A221231ELAAIGLKNQYHHHHHT---EEaaaaagxabbb
1kae_A_3131kae   A319329ISNQYGPEHLIHHHHH--SEEEaaaaavxabbb
1kol_A_1961kol   A204214SARLLGAAVVIHHHHTT-SEEEaaaaagpabbb
1kqp_A_871kqp   A93103ALKFIKPDKSWHHHHH--SEEEaaaaalxabbb
1l6w_A_1701l6w   A175185DCLLAGCESITHHHHTT-SEEEaaaaavpabbb
1m6h_A_2011m6h   A209219GCKVAGASRIIHHHHTT-SEEEaaaaavpabbx
1mdb_A_2611mdb   A267277LIEREKVTITAHHHHHT-SEEEaaaaalxabbb
1mla_*_1731mla   -182192ACKAAGAKRALHHHHTT-SEEEaaaaagxabbb
1muc_A_2051muc   A214224VLGDNGIDLIEHHHHTT---EEaaaaavxabbx
1n8i_A_5311n8i   A531541AQPRAGASTAWHHHHTT-SEEEaaaaavxabbx
1n8k_A_2021n8k   A210220GCKAAGAARIIHHHHTT-SEEEaaaaavpabbx
1nns_A_2261nns   A230240ALVDAGYDGIVHHHHTT-SEEEaaaaavxabbb
1npd_A_1341npd   A142152QGAIEGLKEIKHHHHTT-SEEEaaaaagpabbb
1nvm_A_2081nvm   A214224VAVEEGCDRVDHHHHTT--EEEaaaaagxabbx
1nwc_A_1131nwc   A122132EGLKKGIKTFVHHHHHT--EEEaaaaagxabbb
1nyr_A_5851nyr   A591601EAQMQKIPYQIHHHHHT-SEEEaaaaavxabbb
1o98_A_1261o98   A135145LAAKEGVKRVYHHHHTT---EEaaaaavxabbb
1onr_A_1611onr   A166176ACAEAGVFLISHHHHTT-SEEEaaaaavxabbb
1or8_A_831or8   A8797FAAKAGARKVIHHHHTT-SEEEaaaaagpabbb
1pii_*_1671pii   -172182RAIALGAKVVGHHHHTT-SEEEaaaaavxabbb
1psd_A_211psd   A2636SLRAAGYTNIEHHHHTT---EEaaaaavxaxbb
1psw_A_951psw   A96106VPLFAGIPHRTHHHHTT-SEEEaaaaavxabbb
1qo2_A_321qo2   A3848KLIEEGFTLIHHHHHTT---EEaaaaavxabbx
2ebn_*_2322ebn   -237247NIVTKGYGGHMHHHHHT--EEEaaaaavxabbb
4kbp_A_3014kbp   A310320WFVKYKVDVVFHHHHTT--EEEaaaaalxabbx
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1b16_A_161b16   A     NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT G - 16
1b16_A_161b16   A     NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT I - 17
1b16_A_161b16   A     NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT G - 18
1b16_A_161b16   A     NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT L - 36
1b16_A_161b16   A     NAQNICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT D - 37
1bif_*_961bif   *     ATGPHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER D - 128
1bif_*_961bif   *     MGMAGNESIUM ION D - 128
1cdo_A_2031cdo   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE A - 203
1cdo_A_2031cdo   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE V - 204
1cdo_A_2031cdo   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE G - 205
1cdo_A_2031cdo   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE V - 223
1cvr_A_1631cvr   A     ACLDEOXY-CHLOROMETHYL-ARGININE D - 163
1cvr_A_1631cvr   A     CACALCIUM ION Q - 165
1cvr_A_1631cvr   A     CACALCIUM ION H - 166
1cvr_A_1631cvr   A     CACALCIUM ION E - 167
1cvr_A_1631cvr   A     CACALCIUM ION V - 169
1cvr_A_1631cvr   A     CACALCIUM ION I - 170
1d1t_A_2021d1t   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE G - 202
1d1t_A_2021d1t   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE V - 203
1d1t_A_2021d1t   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE G - 204
1d1t_A_2021d1t   A     CACCACODYLATE ION K - 212
1d1t_A_2021d1t   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE I - 222
1e19_A_2741e19   A     ADPADENOSINE-5'-DIPHOSPHATE M - 274
1e19_A_2741e19   A     ADPADENOSINE-5'-DIPHOSPHATE G - 275
1e19_A_2741e19   A     ADPADENOSINE-5'-DIPHOSPHATE K - 277
1e19_A_2741e19   A     MGMAGNESIUM ION K - 277
1e6u_A_761e6u   A     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Q - 82
1e6u_A_761e6u   A     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE I - 86
1e6u_A_761e6u   A     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE L - 105
1ekj_A_1971ekj   A     ACTACETATE ION Y - 205
1ekj_A_1971ekj   A     ACTACETATE ION L - 210
1ekj_A_1971ekj   A     ACTACETATE ION H - 220
1ekj_A_1971ekj   A     ZNZINC ION H - 220
1gg4_A_3671gg4   A     MSESELENOMETHIONINE S - 368
1gg4_A_3671gg4   A     MSESELENOMETHIONINE C - 371
1gg4_A_3671gg4   A     MSESELENOMETHIONINE H - 372
1gg4_A_3671gg4   A     MSESELENOMETHIONINE V - 375
1gg4_A_3671gg4   A     MSESELENOMETHIONINE V - 390
1ihu_A_2091ihu   A     ADPADENOSINE-5'-DIPHOSPHATE K - 209
1ihu_A_2091ihu   A     ADPADENOSINE-5'-DIPHOSPHATE S - 210
1ihu_A_2091ihu   A     AF3ALUMINUM FLUORIDE S - 210
1ihu_A_2091ihu   A     AF3ALUMINUM FLUORIDE E - 214
1ihu_A_2091ihu   A     ADPADENOSINE-5'-DIPHOSPHATE N - 235
1ihu_A_2091ihu   A     TASTRIHYDROXYARSENITE(III) N - 235
1ihu_A_2091ihu   A     ADPADENOSINE-5'-DIPHOSPHATE G - 236
1ihu_A_2091ihu   A     TASTRIHYDROXYARSENITE(III) G - 236
1ihu_A_2091ihu   A     ADPADENOSINE-5'-DIPHOSPHATE V - 237
1kae_A_3131kae   A     MSESELENOMETHIONINE Y - 323
1kae_A_3131kae   A     HSOHISTIDINOL E - 326
1kae_A_3131kae   A     ZNZINC ION H - 327
1kae_A_3131kae   A     HSOHISTIDINOL H - 327
1kol_A_1961kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE P - 196
1kol_A_1961kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE V - 197
1kol_A_1961kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE G - 198
1kol_A_1961kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE G - 216
1kol_A_1961kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE D - 217
1kqp_A_871kqp   A     ADJNICOTINAMIDE-ADENINE-DINUCLEOTIDE-ADENYLATE INTERMEDIATE A - 90
1l6w_A_1701l6w   A     GOLGLYCEROL T - 185
1m6h_A_2011m6h   A     PO4PHOSPHATE ION G - 201
1m6h_A_2011m6h   A     PO4PHOSPHATE ION V - 202
1m6h_A_2011m6h   A     PO4PHOSPHATE ION G - 203
1muc_A_2051muc   A     MNMANGANESE (II) ION E - 224
1n8i_A_5311n8i   A     MGMAGNESIUM ION W - 541
1n8i_A_5311n8i   A     GLVGLYOXYLIC ACID W - 541
1n8k_A_2021n8k   A     NAJNICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) G - 202
1n8k_A_2021n8k   A     ZNZINC ION V - 203
1n8k_A_2021n8k   A     NAJNICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) V - 203
1n8k_A_2021n8k   A     NAJNICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) G - 204
1n8k_A_2021n8k   A     MPD2-METHYL-2,4-PENTANEDIOL A - 217
1n8k_A_2021n8k   A     MPD2-METHYL-2,4-PENTANEDIOL R - 218
1n8k_A_2021n8k   A     NAJNICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) V - 222
1npd_A_1341npd   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE G - 134
1npd_A_1341npd   A     MSESELENOMETHIONINE A - 135
1npd_A_1341npd   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE A - 135
1npd_A_1341npd   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE S - 136
1npd_A_1341npd   A     MSESELENOMETHIONINE I - 139
1npd_A_1341npd   A     MSESELENOMETHIONINE G - 140
1npd_A_1341npd   A     MSESELENOMETHIONINE G - 143
1npd_A_1341npd   A     MSESELENOMETHIONINE L - 148
1npd_A_1341npd   A     MSESELENOMETHIONINE E - 150
1npd_A_1341npd   A     MSESELENOMETHIONINE I - 151
1npd_A_1341npd   A     MSESELENOMETHIONINE K - 152
1npd_A_1341npd   A     MSESELENOMETHIONINE L - 153
1npd_A_1341npd   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE N - 155
1or8_A_831or8   A     SAHS-ADENOSYL-L-HOMOCYSTEINE I - 83
1or8_A_831or8   A     SAHS-ADENOSYL-L-HOMOCYSTEINE L - 84
1or8_A_831or8   A     SAHS-ADENOSYL-L-HOMOCYSTEINE I - 99
1or8_A_831or8   A     SAHS-ADENOSYL-L-HOMOCYSTEINE E - 100
1psw_A_951psw   A     MSESELENOMETHIONINE V - 96
1qo2_A_321qo2   A     MSESELENOMETHIONINE F - 44
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1b16_A_161b16   A NA2NAD BINDING MOTIF IN SDRS GXXXGXGG - 16
1b16_A_161b16   A NA1NAD BINDING MOTIF IN DADHS G(A)XGXXGG - 18
1b16_A_161b16   A NA3NAD/NADP SELECTIVITY AMINOACIDD - 37
1bif_*_961bif   * S2WALKER-B MOTIF (ZZZZD, Z=HYDROPHOBIC), PART OF THE CLASSICAL MONONUCLEOTIDE BINDING MOTIF. ASP 128 SERVES AS A LIGAND TO THE MG OF MG-ATP.V - 124
1bif_*_961bif   * S2WALKER-B MOTIF (ZZZZD, Z=HYDROPHOBIC), PART OF THE CLASSICAL MONONUCLEOTIDE BINDING MOTIF. ASP 128 SERVES AS A LIGAND TO THE MG OF MG-ATP.A - 125
1bif_*_961bif   * S2WALKER-B MOTIF (ZZZZD, Z=HYDROPHOBIC), PART OF THE CLASSICAL MONONUCLEOTIDE BINDING MOTIF. ASP 128 SERVES AS A LIGAND TO THE MG OF MG-ATP.V - 126
1bif_*_961bif   * S2WALKER-B MOTIF (ZZZZD, Z=HYDROPHOBIC), PART OF THE CLASSICAL MONONUCLEOTIDE BINDING MOTIF. ASP 128 SERVES AS A LIGAND TO THE MG OF MG-ATP.F - 127
1bif_*_961bif   * S2WALKER-B MOTIF (ZZZZD, Z=HYDROPHOBIC), PART OF THE CLASSICAL MONONUCLEOTIDE BINDING MOTIF. ASP 128 SERVES AS A LIGAND TO THE MG OF MG-ATP.D - 128
1muc_A_2051muc   A MNARESIDUES INVOLVED IN THE COORDINATION OF MN-ION IN CHAIN A.E - 224
1o98_A_1261o98   A AC8SO4 BINDING SITE FOR CHAIN AR - 134

Clusters included in this Subclass
CLUSTER: HE.3.23
CLUSTER: HE.4.13
CLUSTER: HE.4.178
CLUSTER: HE.5.11