SIMILAR PATTERNS OF AMINO ACIDS FOR 4ICL_A_T27A601_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 PRO A  55
LEU A   5
VAL A 206
VAL A   9
TYR A  28
 None
 1.48A 4iclA-1axdA:
0.0		 4iclA-1axdA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 LEU A 357
VAL A 234
TYR A 325
PHE A 328
TRP A 312
 None
 1.50A 4iclA-1s6rA:
0.0		 4iclA-1s6rA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpx CARBOXYPEPTIDASE Y
INHIBITOR

(Saccharomyces
cerevisiae) 		PF01161
(PBP) 		5 PRO B 532
LEU B 708
VAL B 524
TYR B 515
TYR B 668
 None
 1.36A 4iclA-1wpxB:
0.7		 4iclA-1wpxB:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 PRO A 243
VAL A 154
TYR A 151
PRO A  81
PHE A 383
 None
 1.42A 4iclA-1z8lA:
0.7		 4iclA-1z8lA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9l VESICLE-ASSOCIATED
MEMBRANE
PROTEIN-ASSOCIATED
PROTEIN A

(Rattus
norvegicus) 		PF00635
(Motile_Sperm) 		5 LEU A 119
VAL A  71
VAL A  44
TYR A  52
PHE A  18
 None
 1.39A 4iclA-1z9lA:
0.0		 4iclA-1z9lA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5i CYTOKINE RECEPTOR
COMMON GAMMA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 LEU C 140
VAL C 165
TYR C 197
TYR C 167
PHE C 186
 None
 1.44A 4iclA-2b5iC:
0.0		 4iclA-2b5iC:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2erj CYTOKINE RECEPTOR
COMMON GAMMA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 LEU C 140
VAL C 165
TYR C 197
TYR C 167
PHE C 186
 None
 1.35A 4iclA-2erjC:
0.0		 4iclA-2erjC:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		5 PRO A 574
LEU A 406
VAL A 416
PRO A 145
TYR A 562
 None
 1.28A 4iclA-2f5uA:
0.0		 4iclA-2f5uA:
20.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
LYS A 103
VAL A 106
TYR A 181
TYR A 188
PRO A 225
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
None
PC0  A 999 (-4.3A)
 0.82A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
LYS A 103
VAL A 106
TYR A 188
PRO A 225
PHE A 227
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.1A)
None
PC0  A 999 (-4.7A)
PC0  A 999 (-4.3A)
 0.91A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
PRO A 225
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
None
PC0  A 999 (-4.3A)
 0.80A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
VAL A 106
VAL A 179
TYR A 188
PRO A 225
PHE A 227
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-4.1A)
None
PC0  A 999 (-4.7A)
PC0  A 999 (-4.3A)
 0.90A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
LYS A 103
VAL A 106
PRO A 225
PHE A 227
TRP A 229
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
None
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.3A)
 0.71A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
LYS A 103
VAL A 106
TYR A 181
PRO A 225
TRP A 229
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
None
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.3A)
 0.85A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
VAL A 106
VAL A 179
PRO A 225
PHE A 227
TRP A 229
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
None
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.3A)
 0.71A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
VAL A 106
VAL A 179
TYR A 181
PRO A 225
TRP A 229
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
None
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.3A)
 0.84A 4iclA-2hnzA:
36.2		 4iclA-2hnzA:
98.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lrt UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13905
(Thioredoxin_8) 		5 LEU A  76
VAL A 111
TYR A 105
TYR A 109
PHE A 118
 None
 1.08A 4iclA-2lrtA:
1.4		 4iclA-2lrtA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		5 PRO A 174
LEU A 186
VAL A  54
VAL A  65
PHE A 178
 None
 1.48A 4iclA-2numA:
undetectable		 4iclA-2numA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 PRO A 233
VAL A 144
TYR A 141
PRO A  71
PHE A 373
 None
 1.34A 4iclA-3fedA:
0.5		 4iclA-3fedA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 PRO A 120
LEU A 122
VAL A 248
VAL A 302
TYR A 290
 None
 1.16A 4iclA-3l2eA:
3.2		 4iclA-3l2eA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 PRO A  54
LEU A 340
LYS A 160
TYR A 153
TYR A 252
 None
 1.19A 4iclA-3l7gA:
0.1		 4iclA-3l7gA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		5 VAL A1802
VAL A1798
TYR A1792
PHE A1788
TYR A1839
 None
 1.49A 4iclA-4by6A:
undetectable		 4iclA-4by6A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		5 LEU A 242
VAL A  89
VAL A  40
TYR A  97
TYR A 219
 None
 1.31A 4iclA-4wcjA:
1.5		 4iclA-4wcjA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LYS B 103
VAL B 106
VAL B 179
TYR B 181
TYR B 188
 None
 0.71A 4iclA-5c24B:
10.8		 4iclA-5c24B:
96.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		5 PRO A  84
LEU A 109
VAL A 206
PHE A 211
TRP A 218
 None
 1.34A 4iclA-5i32A:
undetectable		 4iclA-5i32A:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN

(Yersinia
pseudotuberculosis) 		no annotation 5 PRO A  25
LEU A  35
VAL A  75
PHE A  77
TYR A  36
 None
 1.47A 4iclA-5xhwA:
undetectable		 4iclA-5xhwA:
8.35