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Information on SUBCLASS 3.12.1
Subclass Accession number: 6729
Subclass: 3.12.1 PSSM
Type: AR beta-beta link
DB: ArchDB-EC

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 8

Average sequence ID (%) : 15.2 +/- 21.8
Average RMSD (Å) : 0.700 +/- 0.256

Consensus geometry
d (Å): 11 delta (°): 45-90 theta (°): 90-135 rho (°): 45-90
Consensus Sequence: hXhhXXX
(φψ)-conformation: bppbabb
Pattern: [ltv][FLMTV]x[AFLPV][cilmpv]x[anqr][CDNV]
Conservation:1.4891.518-0.373-0.330-0.864-0.9890.225-0.676
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1bd3_A_1591bd3   A160167VMLLDPMCEEEE-SEEbxxbbabb
1g6s_A_31g6s   A512TLQPIARVEE----EEbxxpbabb
1gz8_A_751gz8   A7986VFEFLHQDEEE--SEEbbpxbabb
1h4l_A_751h4l   A7986VFEFCDQDEEE--SEExbxbbabx
1kol_A_881kol   A8895LVSVPFNVEEE--SEExbxbpaxx
1pme_*_1011pme   -104111VTHLMGADEEE---EEbbxxbabb
1pmn_A_1411pmn   A145152VMELMDANEEE--SEEbbxxxabx
1ps9_A_6111ps9   A613620QVLAVDNVEEE--SEEbbxxbabb
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1bd3_A_1591bd3   A     PO4PHOSPHATE ION D - 164
1bd3_A_1591bd3   A     PO4PHOSPHATE ION M - 166
1bd3_A_1591bd3   A     PO4PHOSPHATE ION C - 167
1gz8_A_751gz8   A     MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL F - 80
1gz8_A_751gz8   A     MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL E - 81
1gz8_A_751gz8   A     MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL F - 82
1gz8_A_751gz8   A     MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL L - 83
1gz8_A_751gz8   A     MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL H - 84
1gz8_A_751gz8   A     MBP1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL Q - 85
1kol_A_881kol   A     ZNZINC ION F - 93
1kol_A_881kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE F - 93
1kol_A_881kol   A     NADNICOTINAMIDE-ADENINE-DINUCLEOTIDE N - 94
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE L - 103
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE V - 104
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE T - 105
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE H - 106
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE L - 107
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE M - 108
1pme_*_1011pme   *     5774-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H -IMIDAZOL-4-YL]-PYRIDINE G - 109
1pme_*_1011pme   *     CMES,S-(2-HYDROXYETHYL)THIOCYSTEINE A - 110
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE L - 144
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE V - 145
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE M - 146
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE E - 147
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE L - 148
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE M - 149
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE D - 150
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE A - 151
1pmn_A_1411pmn   A     984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE N - 152
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1gz8_A_751gz8   A MBPMBP BINDING SITE FOR CHAIN AF - 80
1gz8_A_751gz8   A MBPMBP BINDING SITE FOR CHAIN AF - 82
1gz8_A_751gz8   A MBPMBP BINDING SITE FOR CHAIN AL - 83

Clusters included in this Subclass
CLUSTER: AR.2.46
CLUSTER: AR.3.139
CLUSTER: AR.4.50