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Information on SUBCLASS 4.4.1
Subclass Accession number: 3056
Subclass: 4.4.1 PSSM
Type: EH beta-alpha
DB: ArchDB95

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 20

Average sequence ID (%) : 12.8 +/- 21.0
Average RMSD (Å) : 1.110 +/- 0.277

Consensus geometry
d (Å): 11 delta (°): 45-90 theta (°): 135-180 rho (°): 180-225
Consensus Sequence: hXhXXpXX
(φψ)-conformation: bbabpbaa
Pattern: [afgilmy][afgilmptv][cilvy]xxxx[degnrst][dekpqt][adegkrst][ailtv]x
Conservation:0.111-0.1651.442-0.676-1.073-1.448-1.5211.2070.3610.3340.9830.444
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1aq0_A_291aq0   A2940SMRLYAPNQAALEEEESS--HHHHbbbbabwxaaaa
1c3p_A_1621c3p   A165176IDLDAHHCDGVQEE-SSS--HHHHbbaxabxxaaaa
1cf2_O_261cf2   O3041GVSKTRPDFEAREEEESS-SHHHHebbbabxbaaaa
1dmg_A_1531dmg   A154165LIVLPWKEEGYMEEEE---SHHHHbbbbabxbaaaa
1dms_*_2161dms   -218229IVIDPVRTKTVEEEE-SB--HHHHbbbbabxxaaaa
1duv_G_461duv   G4859ALIFEKDSTRTREEEESS--SHHHxbxbabxbaaaa
1dxh_A_471dxh   A4960ALIFEKTSTRTREEEESS--HHHHxbxbabpbaaaa
1ekx_A_431ekx   A4556ASCFFEASTRTREEEESS--SHHHxbbbabxbaaaa
1fq0_A_911fq0   A91101.AISPGLTEPLL.EEESS--HHHH.bbbabbbaaaa
1g8k_A_2721g8k   A274285IFVDPRETPSVAEEE-SS--HHHHbbbbabxbaaaa
1j4a_A_1711j4a   A173184ITYDIFRNPELEEEE-SS--HHHHbbbbabxxaaaa
1j6u_A_271j6u   A2839YGSNIEETERTAEEE-SS--HHHHbbbbabxbaaaa
1ml4_A_461ml4   A4859ATLFFEPSTRTREEEESS--SHHHbxbbabxbaaaa
1oth_A_811oth   A8394GMIFEKRSTRTREEEESS--SHHHxbxbabxbaaaa
1pvv_A_471pvv   A4960AMIFQKPSTRTREEEESS--SHHHxxbbabpbaaaa
1qgo_A_1941qgo   A198209MPLMLVAGDHAIEE-SSS--HHHHbxababxxaaaa
1tmo_*_2221tmo   -224235ISIDPVVTKTQAEEE-SS--HHHHbbxbabxxaaaa
1uc8_A_21uc8   A314AILYDRIRPDEREEEESS--HHHHbxxbabxbaaaa
1vec_A_2611vec   A263274LLYSATFPLSVQEEEES---HHHHbbbbabbxaaaa
1vhc_A_901vhc   A90101FVVTPGLNPKIVEEE-SS--HHHHbbbbabbbaaaa
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE S - 32
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE K - 33
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE T - 34
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE R - 35
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE P - 36
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE D - 37
1cf2_O_261cf2   O     NAPNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE E - 39
1dmg_A_1531dmg   A     CITCITRIC ACID P - 158
1dmg_A_1531dmg   A     CITCITRIC ACID W - 159
1dmg_A_1531dmg   A     CITCITRIC ACID K - 160
1dmg_A_1531dmg   A     CITCITRIC ACID E - 161
1dms_*_2161dms   *     PGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE I - 220
1dms_*_2161dms   *     PGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE D - 221
1dms_*_2161dms   *     PGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE P - 222
1dms_*_2161dms   *     PGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE V - 223
1dms_*_2161dms   *     PGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE T - 225
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE F - 51
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE K - 53
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE D - 54
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE S - 55
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE T - 56
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE R - 57
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE T - 58
1duv_G_461duv   G     PSQNDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE R - 59
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID F - 48
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID E - 50
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID A - 51
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID S - 52
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID T - 53
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID R - 54
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID T - 55
1ekx_A_431ekx   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID R - 56
1fq0_A_911fq0   A     CITCITRIC ACID I - 92
1fq0_A_911fq0   A     CITCITRIC ACID S - 93
1fq0_A_911fq0   A     CITCITRIC ACID P - 94
1g8k_A_2721g8k   A     MGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE V - 276
1g8k_A_2721g8k   A     MGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE D - 277
1g8k_A_2721g8k   A     MGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE P - 278
1g8k_A_2721g8k   A     MGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE R - 279
1g8k_A_2721g8k   A     MGD2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE T - 281
1g8k_A_2721g8k   A     HGMERCURY (II) ION P - 282
1g8k_A_2721g8k   A     HGMERCURY (II) ION I - 286
1j6u_A_271j6u   A     MSESELENOMETHIONINE V - 27
1j6u_A_271j6u   A     MSESELENOMETHIONINE L - 41
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID F - 51
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID E - 53
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID P - 54
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID S - 55
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID T - 56
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID R - 57
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID T - 58
1ml4_A_461ml4   A     PALN-(PHOSPHONACETYL)-L-ASPARTIC ACID R - 59
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE F - 86
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE K - 88
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE R - 89
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE S - 90
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE T - 91
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE R - 92
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE T - 93
1oth_A_811oth   A     PAON-(PHOSPHONOACETYL)-L-ORNITHINE R - 94
1tmo_*_2221tmo   *     2MDGUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER I - 226
1tmo_*_2221tmo   *     2MDGUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER D - 227
1tmo_*_2221tmo   *     2MDGUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER P - 228
1tmo_*_2221tmo   *     2MDGUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER V - 229
1tmo_*_2221tmo   *     2MDGUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER T - 231
1vhc_A_901vhc   A     MSESELENOMETHIONINE G - 95
1vhc_A_901vhc   A     MSESELENOMETHIONINE L - 96
1vhc_A_901vhc   A     MSESELENOMETHIONINE N - 97
1vhc_A_901vhc   A     MSESELENOMETHIONINE P - 98
1vhc_A_901vhc   A     MSESELENOMETHIONINE K - 99
1vhc_A_901vhc   A     MSESELENOMETHIONINE V - 101
1vhc_A_901vhc   A     MSESELENOMETHIONINE K - 102
1vhc_A_901vhc   A     MSESELENOMETHIONINE Q - 105
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1qgo_A_1941qgo   A COTHE ACTIVE SITE IS LOCATED IN A CLEFT BETWEEN THE TWO DOMAINS SURROUNDED BY FOUR REGIONS OF STRUCTURE COMPRISED RESPECTIVELY BY RESIDUES 10-14, 86-89, 145- 149, 205-207. HIS 145 AND HIS 207 ARE THE TWO RESIDUES SHOWN TO BE RESPONSIBLE FOR METAL BINDING.H - 207

Clusters included in this Subclass
CLUSTER: EH.3.115
CLUSTER: EH.4.34
CLUSTER: EH.5.36
CLUSTER: EH.6.137