SIMILAR PATTERNS OF AMINO ACIDS FOR 4G1Q_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
 1.49A 4g1qA-1axdA:
0.0		 4g1qA-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.
1doi 2FE-2S FERREDOXIN

(Haloarcula
marismortui) 		PF00111
(Fer2) 		5 PRO A  60
VAL A   3
TYR A 115
TYR A   5
PRO A 106
 K  A 204 ( 4.6A)
None
None
None
None
 1.24A 4g1qA-1doiA:
0.0		 4g1qA-1doiA:
14.15
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.
1kol FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 249
VAL A 255
VAL A 212
TYR A 190
PRO A 253
 None
 1.09A 4g1qA-1kolA:
1.1		 4g1qA-1kolA:
22.36
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.
1nmy SIMILAR TO
THYMIDYLATE KINASE
(DTMP KINASE)

(Homo sapiens) 		PF02223
(Thymidylate_kin) 		5 PRO A 127
LEU A 210
LYS A 118
VAL A 103
PRO A 120
 None
 1.27A 4g1qA-1nmyA:
undetectable		 4g1qA-1nmyA:
17.75
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 4g1qA-1wpxB:
0.0		 4g1qA-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.
1xea OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Vibrio cholerae) 		PF01408
(GFO_IDH_MocA) 		5 LEU A  86
VAL A  67
VAL A  59
TYR A  56
PRO A  89
 None
 1.38A 4g1qA-1xeaA:
0.0		 4g1qA-1xeaA:
19.68
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
 1.41A 4g1qA-1z9lA:
0.5		 4g1qA-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.
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
 1.38A 4g1qA-2erjC:
0.0		 4g1qA-2erjC:
17.97
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 236
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.81A 4g1qA-2hnzA:
36.1		 4g1qA-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
PHE A 227
PRO A 236
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.1A)
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.96A 4g1qA-2hnzA:
36.1		 4g1qA-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 236
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)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.76A 4g1qA-2hnzA:
36.1		 4g1qA-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
PHE A 227
PRO A 236
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-4.1A)
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.92A 4g1qA-2hnzA:
36.1		 4g1qA-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
PHE A 227
TRP A 229
PRO A 236
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.80A 4g1qA-2hnzA:
36.1		 4g1qA-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
TRP A 229
PRO A 236
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.2A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.89A 4g1qA-2hnzA:
36.1		 4g1qA-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
PHE A 227
TRP A 229
PRO A 236
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 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.77A 4g1qA-2hnzA:
36.1		 4g1qA-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
TRP A 229
PRO A 236
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)
PC0  A 999 ( 4.2A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.85A 4g1qA-2hnzA:
36.1		 4g1qA-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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 LEU A  42
TYR A 274
TYR A 271
PHE A  15
PRO A  10
 None
 1.18A 4g1qA-2o4cA:
undetectable		 4g1qA-2o4cA:
22.20
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.
3hhj MUTATOR MUTT PROTEIN

(Bartonella
henselae) 		PF14815
(NUDIX_4) 		5 PRO A  61
LEU A  75
VAL A  87
PHE A 113
PRO A  94
 None
 1.47A 4g1qA-3hhjA:
undetectable		 4g1qA-3hhjA:
14.57
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 4g1qA-3l2eA:
2.6		 4g1qA-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 4g1qA-3l7gA:
0.6		 4g1qA-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.
3n3a PROTEIN NRDI

(Escherichia
coli) 		PF07972
(Flavodoxin_NdrI) 		5 LEU C  66
VAL C  46
VAL C  78
TYR C  42
PRO C  59
 None
 1.42A 4g1qA-3n3aC:
undetectable		 4g1qA-3n3aC:
15.32
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
 1.47A 4g1qA-4by6A:
undetectable		 4g1qA-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.
4cyl EFF-1A

(Caenorhabditis
elegans) 		PF14884
(EFF-AFF) 		5 PRO A 339
LEU A 404
VAL A 456
TYR A 482
PRO A 453
 None
 1.40A 4g1qA-4cylA:
0.0		 4g1qA-4cylA:
22.54
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 250
VAL A 256
VAL A 213
TYR A 191
PRO A 254
 None
 1.12A 4g1qA-4jlwA:
1.0		 4g1qA-4jlwA:
21.20
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 LEU A 366
VAL A 473
TYR A 401
TYR A 472
PRO A 481
 None
 1.30A 4g1qA-4qfuA:
0.1		 4g1qA-4qfuA:
23.00
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 4g1qA-4wcjA:
undetectable		 4g1qA-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 4g1qA-5c24B:
11.9		 4g1qA-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.
5dhd CHITINASE

(Thermococcus
kodakarensis) 		PF00553
(CBM_2) 		5 VAL A 680
VAL A 655
TYR A 709
TYR A 679
TYR A 641
 None
None
PE3  A 804 ( 3.9A)
PE3  A 804 (-3.8A)
None
 1.20A 4g1qA-5dhdA:
1.6		 4g1qA-5dhdA:
10.99
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
 1.35A 4g1qA-5i32A:
undetectable		 4g1qA-5i32A:
18.25