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Information on SUBCLASS 4.3.1
Subclass Accession number: 6757
Subclass: 4.3.1 PSSM
Type: AR beta-beta link
DB: ArchDB-EC

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 19

Average sequence ID (%) : 27.2 +/- 26.5
Average RMSD (Å) : 0.542 +/- 0.399

Consensus geometry
d (Å): 11 delta (°): 90-135 theta (°): 135-180 rho (°): 135-180
Consensus Sequence: XppcXpXX
(φψ)-conformation: bbaababb
Pattern: [acfgmv][iltv][alvy][DES][ADPST][gklt][alt][DKNPST]x[aiklmt][gilpvwy][agilv]x
Conservation:-0.9240.576-0.5432.5560.4930.063-0.0100.112-1.055-0.216-1.2390.187-1.000
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1am5_*_2101am5   -212223AIVDTGTSKIVA.EEE-TT-SSEEE.bxbbaaxabbbb.
1bf2_*_171bf2   -2133RVYSSQATRIVLYEEE-SS-SEEEEEbbxbaapabbbxb
1cv8_*_1481cv8   -148158MTQDAKNNVIP..EEEETT--EEE..bbbxaababxx..
1ezv_A_2461ezv   A249261RLRDDTLPKAWISEEE-TTSSSEEEEbapbaaxabbbbb
1fkn_A_2251fkn   A225237SIVDSGTTNLRLPEEE-TT--SEEEEbbbbaabaxxbbp
1fmb_*_181fmb   -2234VLLDTGADTSVLTEEE-TT-SS-EEEbxxbaababxbxx
1fsu_*_3301fsu   -331343FVASPLLKQKGVKEEE-TT-SS-SEEbbbbaaxabbvbb
1htr_B_2121htr   B214226AIVDTGTSLLTVPEEE-TT--SEEEEbxxbaabaxxxbp
1ibq_A_2091ibq   A211222AIADTGTTLILL.EEE-TT--SEEE.bbxbaababbbb.
1ida_A_181ida   A2233VLLDTGADDSIV.EEE-TT-SS-EE.bxxbaaxabbbb.
1kzk_A_181kzk   A2233ALLDTGADDTVL.EEE-TT-SS-EE.bxxbaaxabxbb.
1l0l_A_2401l0l   A242254CHREDGLPLAHVAEEE-TTSSSEEEEbbxbaaxabxbbb
1lya_B_2261lya   B228239AIVDTGTSLMVG.EEE-TT-SSEEE.bbbbaababxbb.
1oew_A_2091oew   A215226GIADTGTTLLYL.EEE-TT--SEEE.bbxbaababbbb.
1rne_*_2101rne   -212223ALVDTGASYISG.EEE-TT-SSEEE.bxxbaababxbb.
2apr_*_2132apr   -215227GILDTGTTLLILPEEE-TT-SSEEEEbbxbaabaxxxbp
2rsp_A_292rsp   A3446ALLDSGADITIISEEE-TT-SS-EEEbxxbaababxbxx
3cms_*_2103cms   -212223AILDTGTSKLVG.EEE-TT--SEEE.bbxbaababxbb.
4fiv_*_234fiv   -2739FLLDTGADITILNEEE-TT-SS-EEExxxbaababxbbx
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL L - 23
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL D - 25
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL T - 26
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL G - 27
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL A - 28
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL D - 29
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL T - 30
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL S - 31
1fmb_*_181fmb   *     HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL V - 32
1ibq_A_2091ibq   A     ZNZINC ION D - 214
1ibq_A_2091ibq   A     ZNZINC ION T - 215
1ibq_A_2091ibq   A     ZNZINC ION G - 216
1ibq_A_2091ibq   A     ZNZINC ION T - 217
1ida_A_181ida   A     HPB2-HYDROXY-3-AMINO-4-PHENYL BUTANE L - 23
1ida_A_181ida   A     HPB2-HYDROXY-3-AMINO-4-PHENYL BUTANE D - 25
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE D - 25
1ida_A_181ida   A     HPB2-HYDROXY-3-AMINO-4-PHENYL BUTANE G - 27
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE G - 27
1ida_A_181ida   A     HPB2-HYDROXY-3-AMINO-4-PHENYL BUTANE A - 28
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE A - 28
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE D - 29
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE D - 30
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE S - 31
1ida_A_181ida   A     PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE I - 32
1kzk_A_181kzk   A     EGLETHYLENE GLYCOL Q - 18
1kzk_A_181kzk   A     EGLETHYLENE GLYCOL K - 20
1kzk_A_181kzk   A     EGLETHYLENE GLYCOL E - 21
1kzk_A_181kzk   A     EGLETHYLENE GLYCOL A - 22
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE L - 23
1kzk_A_181kzk   A     EGLETHYLENE GLYCOL L - 23
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE D - 25
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE T - 26
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE G - 27
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE A - 28
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE D - 29
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE D - 30
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE T - 31
1kzk_A_181kzk   A     JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE V - 32
1oew_A_2091oew   A     SERSERINE I - 216
1oew_A_2091oew   A     SERSERINE D - 218
1oew_A_2091oew   A     THRTHREONINE D - 218
1oew_A_2091oew   A     SERSERINE G - 220
1oew_A_2091oew   A     SERSERINE T - 221
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE L - 213
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE D - 215
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE T - 216
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE G - 217
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE A - 218
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE S - 219
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE Y - 220
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE I - 221
1rne_*_2101rne   *     C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE S - 222
2apr_*_2132apr   *     CACALCIUM ION G - 220
2apr_*_2132apr   *     CACALCIUM ION T - 221
2apr_*_2132apr   *     CACALCIUM ION T - 222
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE L - 28
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE D - 30
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE T - 31
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE G - 32
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE A - 33
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE D - 34
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE I - 35
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE T - 36
4fiv_*_234fiv   *     1NI4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL) -PROPYL]-AMIDE I - 37
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1am5_*_2101am5   * CATTHE CATALYTIC ASPARTIC RESIDUES, ASP 32 AND ASP 215, ARE CONNECTED THROUGH A NETWORK OF HYDROGEN BONDS.D - 215
1oew_A_2091oew   A AC1SER BINDING SITE FOR CHAIN AI - 216
1oew_A_2091oew   A CATCATALYTIC SITED - 218

Clusters included in this Subclass
CLUSTER: AR.5.6
CLUSTER: AR.7.3
CLUSTER: AR.8.10