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Information on SUBCLASS 4.1.1
Subclass Accession number: 5587
Subclass: 4.1.1 PSSM
Type: HE alpha-beta
DB: ArchDB95

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 61

Average sequence ID (%) : 16.9 +/- 16.7
Average RMSD (Å) : 0.611 +/- 0.210

Consensus geometry
d (Å): 11 delta (°): 90-135 theta (°): 135-180 rho (°): 45-90
Consensus Sequence: XXXPphXh
(φψ)-conformation: aabaapbb
Pattern: [afgiklmtv][adegknqrs]x[acfilmvw]x[aegknqrst]x[cdehknqrsy][ekps][adegknqrs][acfgiklmtv]x[ailpvy]x
Conservation:-0.684-0.300-0.6970.418-0.1870.054-0.802-0.8572.6120.691-0.081-0.9431.354-0.580
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1b16_A_421b16   A4558LAELKAINPKVNITHHHHHHH-TTSEEEaaaaaaabaaxxbb
1bfd_*_4061bfd   -410423AIGVQLAEPERQVIHHHHHHH-TTS-EEaaaaaaabaabxxb
1bpy_A_1521bpy   A163176LNEVKKVDSEYIATHHHHHHH-TT-EEEaaaaaaabaaxbbb
1bwv_S_801bwv   S87100INACRKARSNFYIKHHHHHHH-TTSEEEaaaaaaabaabxbb
1cex_*_921cex   -102115FQQANTKCPDATLIHHHHHHH-TT-EEEaaaaaaabaaxxxb
1chm_A_1301chm   A133146RDKLAARYPDAELVHHHHHHH-TT-EEEaaaaaaabaabxbb
1cl1_A_1661cl1   A170183VAAVRSVVPDAIIMHHHHHHH-TT-EEEaaaaaaabaaxbbb
1d3v_A_1041d3v   A108121ISGHARVHPDLCVIHHHHHHH-TT-EEEaaaaaaabaaxbbb
1dqn_A_1321dqn   A134147IFSIQEQIKHAKICHHHHHHHSTT-EEEaaaaaaabaaxbbb
1eg5_A_1581eg5   A162175TRIVKKKNKETLVHHHHHHHH-TT-EEEaaaaaaabaaxxbb
1es9_A_1101es9   A121134VQLVNERQPQARVVHHHHHHHSTT-EEEaaaaaaabaaxxbb
1eu8_A_151eu8   A2538IAEFEKKYPGVTVEHHHHHHHSTT-EEEaaaaaaabaabbbx
1fxw_F_1111fxw   F122135VQLINTRQPQAKIIHHHHHHH-TT-EEEaaaaaaabaaxxbb
1fye_A_1711fye   A175188IRELLVVAPELTVIHHHHHHH-TT-EEEaaaaaaabaaxbbb
1g2o_A_1621g2o   A165178RELARQSDPQLAEGHHHHHHH-TT-EEEaaaaaaabaapxbb
1g66_A_571g66   A7285VNSFNSQCPSTKIVHHHHHHHSTT-EEEaaaaaaabaaxxbb
1gns_A_641gns   A6982AGTVLAVAPSASLYHHHHHHHSTT-EEEaaaaaaabaaxxxb
1gt9_1_761gt9   18396IEVAGALAPGAKIAHHHHHHHSTTSEEEaaaaaaabaaxxbb
1gtk_A_141gtk   A2437KDKLMASHPGLVVEHHHHHHH-TT-EEEaaaaaaabaaxbbb
1hwl_A_6571hwl   A668681LSKLHEYFPEMQILHHHHHHH-TT-EEEaaaaaaabaaxbxa
1i0z_A_1101i0z   A121134IPQIVKYSPDCIIIHHHHHHH-TT-EEEaaaaaaabaaxbbb
1iug_A_1401iug   A144157ARAFKEKNPEGLVGHHHHHHH-TT-EEEaaaaaaabaaxbbb
1j0h_A_3351j0h   A342355RQEVKALKPDVYILHHHHHHH-TT-EEEaaaaaaabaaxxbb
1j20_A_1211j20   A126139ELTAYALKPDIKVIHHHHHHHSTT-EEEaaaaaaabaaxbbb
1ji1_A_3711ji1   A381394RNAVKGVNSNAAIIHHHHHHH-TT-EEEaaaaaaabaaxxbb
1ji2_A_3321ji2   A339352RRLVKSLNPDALIVHHHHHHH-TT-EEEaaaaaaabaaxxbb
1jih_A_771jih   A7790IQEALKKCSNLIPIHHHHHHH-TT-EEEaaaaaaabaaxbwb
1jms_A_3051jms   A316329KEAVVTFLPDALVTHHHHHHH-TT-EEEaaaaaaabaaxbbb
1jn3_A_1521jn3   A163176LNEVKKLDPEYIATHHHHHHH-TT-EEEaaaaaaabaaxbbb
1jx4_A_611jx4   A6174IVEAKKILPNAVYLHHHHHHH-TTSEEEaaaaaaabaaxxbb
1jz7_A_4661jz7   A472485YRWIKSVDPSRPVQHHHHHHH-TTS-EEaaaaaaabaabxbb
1lhp_A_881lhp   A98111VQELKQQNPRLVYVHHHHHHH-TT-EEEaaaaaaabaaxbbx
1lw6_I_321lw6   I3649KKVILQDKPAAQIIHHHHHHH-TT-EEEaaaaaaabaapbxb
1m6i_A_1411m6i   A147160ARSIRARDPGARVLHHHHHHHSTT-EEEaaaaaaabaapbbb
1mld_A_901mld   A101114TAACAQHCPDAMICHHHHHHH-TTSEEEaaaaaaabaaxxbb
1nat_*_621nat   -6679LKRMKVIDENIRVIHHHHHHH-TT-EEEaaaaaaabaapbbb
1nij_A_1671nij   A170183HERLARINARAPVYHHHHHHH-SSS-EEaaaaaaabaaxxbb
1nst_A_6861nst   A687700PRRAAALLPKAKVLHHHHHHH-TT-EEEaaaaaaabaapxbb
1nvm_B_811nvm   B88101EALLRQAKPGIRLIHHHHHHH-TT-EEEaaaaaaabaaxxbb
1o5o_A_1641o5o   A167180VEAVEKKYEDVKIYHHHHHHH-TT-EEEaaaaaaabaaxxbb
1o5o_A_811o5o   A8597ADGILELLPNASV.HHHHHHHSTT-EE.aaaaaaabaaxxb.
1o5z_A_3721o5z   A376388VDMAKKFFKNVEV.HHHHHHH-S--EE.aaaaaaabaapbb.
1oaa_*_451oaa   -5265KEELGAQQPDLKVVHHHHHHH-TTSEEEaaaaaaabaabxbb
1obb_A_1261obb   A136149ARKIEKLSPKAWYLHHHHHHH-TT-EEEaaaaaaabaaxxbb
1oc4_A_1171oc4   A124137GGHIKNNCPNAFIIHHHHHHH-TT-EEEaaaaaaabaaxxbb
1p5h_A_1091p5h   A109122WEYIQELNPRVILAHHHHHHH-TT-EEEaaaaaaabaaxbbb
1pq4_A_1131pq4   A113126LEKLKAANANMKLIHHHHHHH-SSSEEEaaaaaaabaaxxxx
1pze_A_1121pze   A124137GQNIKKYCPKTFIIHHHHHHH-TT-EEEaaaaaaabaaxbxb
1qjc_A_961qjc   A103116AHMNRHLMPELESVHHHHHHH-TTSEEEaaaaaaabaabxxb
1qoz_A_571qoz   A7285INNFHNSCPDTQLVHHHHHHH-TTSEEEaaaaaaabaaxxbb
1t2d_A_981t2d   A109122GGHIKKNCPNAFIIHHHHHHH-TTSEEEaaaaaaabaaxxbb
1tml_*_1271tml   -141154GKALKAGSSQARIYHHHHHHH-TT-EEEaaaaaaabaaxbbb
1tyf_A_371tyf   A4760MLFLEAENPEKDIYHHHHHHH-SSS-EEaaaaaaabaaxpbb
1ufa_A_3181ufa   A336349LERLAGRHPEGVILHHHHHHH-TT-EEEaaaaaaabaaxbxx
1vi9_A_871vi9   A97110VRQVKAANPQAKYFHHHHHHH-TT-EEEaaaaaaabaaxbbb
1ypc_I_321ypc   I3649KKVILQDKPEAQIIHHHHHHH-TT-EEEaaaaaaabaaxxbb
2cmd_*_912cmd   -102115VQQVAKTCPKACIGHHHHHHH-TTSEEEaaaaaaabaaxxbb
3rub_S_803rub   S87100VEEAKKAYPQAWIRHHHHHHH-TTSEEEaaaaaaabaaxxbb
3thi_A_223thi   A3043LDQWQRQEPGVKLEHHHHHHH-TTSEEEaaaaaaabaabxbb
8ruc_I_808ruc   I87100LEECKKEYPNAFIRHHHHHHH-TTSEEEaaaaaaabaabxbb
9ldt_A_1139ldt   A124137IPNIVKYSPNCKLLHHHHHHH-TT-EEEaaaaaaabaaxbxb
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1bfd_*_4061bfd   *     TPPTHIAMINE DIPHOSPHATE I - 426
1bfd_*_4061bfd   *     CACALCIUM ION G - 427
1bfd_*_4061bfd   *     TPPTHIAMINE DIPHOSPHATE G - 427
1cl1_A_1661cl1   A     LLP2-LYSINE(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHANE) D - 185
1d3v_A_1041d3v   A     MNMANGANESE (II) ION W - 122
1d3v_A_1041d3v   A     ABH2(S)-AMINO-6-BORONOHEXANOIC ACID W - 122
1d3v_A_1041d3v   A     MNMANGANESE (II) ION V - 123
1dqn_A_1321dqn   A     IMUPHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN -2-YLMETHYL] ESTER H - 132
1dqn_A_1321dqn   A     IMUPHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN -2-YLMETHYL] ESTER T - 133
1dqn_A_1321dqn   A     POPPYROPHOSPHATE 2- T - 133
1dqn_A_1321dqn   A     IMUPHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN -2-YLMETHYL] ESTER I - 134
1eg5_A_1581eg5   A     MSESELENOMETHIONINE V - 158
1eg5_A_1581eg5   A     MSESELENOMETHIONINE H - 175
1eg5_A_1581eg5   A     MSESELENOMETHIONINE V - 176
1eg5_A_1581eg5   A     MSESELENOMETHIONINE D - 177
1eg5_A_1581eg5   A     PLPPYRIDOXAL-5'-PHOSPHATE D - 177
1eu8_A_151eu8   A     TRETREHALOSE E - 17
1g2o_A_1621g2o   A     PO4PHOSPHATE ION Y - 180
1g2o_A_1621g2o   A     IMH1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL Y - 180
1g66_A_571g66   A     GOLGLYCEROL Y - 57
1g66_A_571g66   A     GOLGLYCEROL S - 70
1g66_A_571g66   A     GOLGLYCEROL N - 73
1g66_A_571g66   A     GOLGLYCEROL S - 74
1g66_A_571g66   A     GOLGLYCEROL F - 75
1g66_A_571g66   A     GOLGLYCEROL S - 77
1g66_A_571g66   A     GOLGLYCEROL Q - 78
1gns_A_641gns   A     CSOS-HYDROXYCYSTEINE H - 64
1gns_A_641gns   A     CSOS-HYDROXYCYSTEINE V - 68
1gtk_A_141gtk   A     DPM3-{2-[4-(2-CARBOXY-ETHYL)-3-CARBOXYMETHYL-5H-PYRROL-2-YLMETHYL]-4-CARBOXYMETHYL-5-METHYL-2H-PYRROL-3-YL}-PROPIONIC ACID L - 15
1gtk_A_141gtk   A     DPM3-{2-[4-(2-CARBOXY-ETHYL)-3-CARBOXYMETHYL-5H-PYRROL-2-YLMETHYL]-4-CARBOXYMETHYL-5-METHYL-2H-PYRROL-3-YL}-PROPIONIC ACID Q - 19
1hwl_A_6571hwl   A     FBI7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID M - 657
1hwl_A_6571hwl   A     FBI7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID S - 661
1i0z_A_1101i0z   A     NAI1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE N - 113
1i0z_A_1101i0z   A     NAI1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE V - 116
1i0z_A_1101i0z   A     NAI1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE I - 120
1i0z_A_1101i0z   A     NAI1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE V - 135
1iug_A_1401iug   A     LLP2-LYSINE(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHANE) D - 159
1j20_A_1211j20   A     AMPADENOSINE MONOPHOSPHATE D - 121
1j20_A_1211j20   A     AS1ARGININOSUCCINATE D - 121
1j20_A_1211j20   A     AS1ARGININOSUCCINATE Q - 122
1j20_A_1211j20   A     AS1ARGININOSUCCINATE R - 124
1j20_A_1211j20   A     AMPADENOSINE MONOPHOSPHATE F - 125
1jx4_A_611jx4   A     MSESELENOMETHIONINE L - 74
1jx4_A_611jx4   A     CACALCIUM ION L - 74
1jz7_A_4661jz7   A     DMSDIMETHYL SULFOXIDE A - 466
1jz7_A_4661jz7   A     DMSDIMETHYL SULFOXIDE P - 480
1jz7_A_4661jz7   A     DMSDIMETHYL SULFOXIDE S - 481
1jz7_A_4661jz7   A     DMSDIMETHYL SULFOXIDE R - 482
1m6i_A_1411m6i   A     FADFLAVIN-ADENINE DINUCLEOTIDE T - 141
1m6i_A_1411m6i   A     FADFLAVIN-ADENINE DINUCLEOTIDE A - 142
1m6i_A_1411m6i   A     FADFLAVIN-ADENINE DINUCLEOTIDE A - 143
1m6i_A_1411m6i   A     FADFLAVIN-ADENINE DINUCLEOTIDE V - 162
1m6i_A_1411m6i   A     FADFLAVIN-ADENINE DINUCLEOTIDE S - 163
1nvm_B_811nvm   B     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE A - 81
1nvm_B_811nvm   B     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE A - 83
1nvm_B_811nvm   B     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE N - 87
1nvm_B_811nvm   B     MPD2-METHYL-2,4-PENTANEDIOL A - 89
1nvm_B_811nvm   B     MPD2-METHYL-2,4-PENTANEDIOL L - 90
1nvm_B_811nvm   B     MPD2-METHYL-2,4-PENTANEDIOL L - 91
1nvm_B_811nvm   B     MPD2-METHYL-2,4-PENTANEDIOL Q - 93
1nvm_B_811nvm   B     MPD2-METHYL-2,4-PENTANEDIOL A - 94
1oaa_*_451oaa   *     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE M - 47
1obb_A_1261obb   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE Q - 128
1obb_A_1261obb   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE Y - 131
1obb_A_1261obb   A     CSWCYSTEINE-S-DIOXIDE Q - 150
1oc4_A_1171oc4   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE I - 119
1oc4_A_1171oc4   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE E - 122
1oc4_A_1171oc4   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE I - 123
1oc4_A_1171oc4   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE V - 138
1qoz_A_571qoz   A     NAGN-ACETYL-D-GLUCOSAMINE N - 63
1qoz_A_571qoz   A     NAGN-ACETYL-D-GLUCOSAMINE G - 64
1qoz_A_571qoz   A     NAGN-ACETYL-D-GLUCOSAMINE N - 66
1qoz_A_571qoz   A     NAGN-ACETYL-D-GLUCOSAMINE A - 67
1qoz_A_571qoz   A     PCAPYROGLUTAMIC ACID C - 79
1t2d_A_981t2d   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE N - 101
1t2d_A_981t2d   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE I - 104
1t2d_A_981t2d   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE E - 107
1t2d_A_981t2d   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE I - 108
1t2d_A_981t2d   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE V - 123
1ufa_A_3181ufa   A     MSESELENOMETHIONINE H - 343
1ufa_A_3181ufa   A     MSESELENOMETHIONINE P - 344
1ufa_A_3181ufa   A     MSESELENOMETHIONINE E - 345
1ufa_A_3181ufa   A     MSESELENOMETHIONINE G - 346
1ufa_A_3181ufa   A     MSESELENOMETHIONINE L - 349
1ufa_A_3181ufa   A     MSESELENOMETHIONINE P - 351
1vi9_A_871vi9   A     MSESELENOMETHIONINE Q - 89
9ldt_A_1139ldt   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE N - 116
9ldt_A_1139ldt   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE F - 122
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1gtk_A_141gtk   A AC1DPM BINDING SITE FOR CHAIN AL - 15
1obb_A_1261obb   A AC1NAD BINDING SITE FOR CHAIN AY - 131

Clusters included in this Subclass
CLUSTER: HE.3.11
CLUSTER: HE.4.7