SIMILAR PATTERNS OF AMINO ACIDS FOR 4KN2_C_LYAC304_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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		5 ASP A 114
THR A 111
HIS A  81
SER A  87
TYR A  76
 None
 1.47A 4kn2C-1pzsA:
undetectable		 4kn2C-1pzsA:
17.35
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASP A 155
THR A 193
TYR A 186
GLY A 251
TYR A 182
 CA  A1670 ( 3.6A)
None
None
None
None
 1.24A 4kn2C-1r9jA:
0.0		 4kn2C-1r9jA:
15.64
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ASP A 237
TYR A 161
SER A  42
HIS A  80
GLY A  84
 None
 1.17A 4kn2C-1y7iA:
0.0		 4kn2C-1y7iA:
19.63
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ASP A 237
TYR A 161
SER A 179
HIS A  80
GLY A  84
 None
 1.41A 4kn2C-1y7iA:
0.0		 4kn2C-1y7iA:
19.63
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ASP A 332
THR A 333
TRP A 447
ARG A 197
GLY A 201
 None
None
None
None
SO4  A7503 (-3.2A)
 1.48A 4kn2C-2a9cA:
0.0		 4kn2C-2a9cA:
18.90
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 ASP A 476
THR A 477
SER A 644
GLY A 390
TYR A 490
 None
 1.39A 4kn2C-2c11A:
0.0		 4kn2C-2c11A:
13.90
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.
2f9z CHEMOTAXIS PROTEIN
CHEC
PROTEIN (CHEMOTAXIS
METHYLATION PROTEIN)

(Thermotoga
maritima) 		PF03975
(CheD)
PF04509
(CheC) 		5 ASP C  62
THR C  63
TYR C  60
SER A 161
GLY C  25
 None
 1.39A 4kn2C-2f9zC:
undetectable		 4kn2C-2f9zC:
18.64
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ASP A  99
TRP A 234
HIS A 398
GLY A 216
TYR A  95
 None
FAD  A1000 ( 4.4A)
None
None
None
 1.48A 4kn2C-2fjaA:
0.0		 4kn2C-2fjaA:
14.26
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 ASP A 198
SER A 262
GLY A 238
SER A 121
TYR A 122
 LLP  A 232 ( 2.8A)
None
None
None
None
 1.40A 4kn2C-2o0rA:
0.0		 4kn2C-2o0rA:
18.05
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.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 SER A 128
HIS A 109
GLY A 187
SER A  68
TYR A  81
 None
 1.41A 4kn2C-2q3oA:
undetectable		 4kn2C-2q3oA:
17.71
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.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		5 SER A  56
HIS A  93
GLY A  95
TRP A 108
SER A  77
 None
 1.39A 4kn2C-2vptA:
undetectable		 4kn2C-2vptA:
19.49
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 ASP A 330
THR A 327
GLY A 110
SER A 153
TYR A 154
 None
 1.29A 4kn2C-3cdxA:
undetectable		 4kn2C-3cdxA:
19.40
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 173
SER A  58
ARG A  59
HIS A  33
GLY A  26
 TLA  A 502 (-3.6A)
None
TLA  A 502 (-2.6A)
TLA  A 502 (-3.8A)
None
 1.41A 4kn2C-3d46A:
undetectable		 4kn2C-3d46A:
17.93
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 ASP A  96
THR A 333
TRP A 251
HIS A 418
GLY A 233
 None
None
FAD  A1000 (-3.7A)
FAD  A1000 (-4.5A)
None
 1.40A 4kn2C-3gyxA:
undetectable		 4kn2C-3gyxA:
14.68
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.
3stt METHYLKETONE
SYNTHASE I

(Solanum
habrochaites) 		PF12697
(Abhydrolase_6) 		5 ASP A 242
TYR A 165
SER A  48
HIS A  86
GLY A  90
 None
 1.21A 4kn2C-3sttA:
undetectable		 4kn2C-3sttA:
19.42
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ASP A 321
SER A 313
HIS A 194
GLY A 163
TRP A 352
 OAN  A2000 (-4.0A)
None
None
None
OAN  A2000 ( 3.9A)
 1.42A 4kn2C-3sutA:
undetectable		 4kn2C-3sutA:
15.65
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ASP A 514
THR A 513
SER A 700
SER A 595
TYR A 538
 None
 1.40A 4kn2C-3vthA:
undetectable		 4kn2C-3vthA:
12.74
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		5 THR A 223
SER A 130
GLY A  90
SER A 256
TYR A  41
 None
 1.32A 4kn2C-4e3eA:
undetectable		 4kn2C-4e3eA:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		5 ASP A  97
ARG A 122
HIS A 151
GLY A 153
TRP A 187
 FOL  A 301 (-2.8A)
FOL  A 301 ( 4.4A)
FOL  A 301 (-3.9A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.5A)
 1.08A 4kn2C-4kmzA:
37.4		 4kn2C-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		12 ASP A  97
THR A  98
TYR A 101
SER A 117
TRP A 118
ARG A 119
HIS A 151
GLY A 153
TRP A 156
TRP A 187
SER A 190
TYR A 191
 FOL  A 301 (-2.8A)
FOL  A 301 ( 4.6A)
FOL  A 301 (-3.8A)
FOL  A 301 (-3.5A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.0A)
FOL  A 301 (-3.9A)
FOL  A 301 (-4.0A)
FOL  A 301 (-3.7A)
FOL  A 301 (-3.5A)
FOL  A 301 (-2.6A)
FOL  A 301 (-4.1A)
 0.28A 4kn2C-4kmzA:
37.4		 4kn2C-4kmzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		5 ASP A  81
ARG A 106
HIS A 135
GLY A 137
TRP A 171
 FOL  A 301 (-2.7A)
FOL  A 301 (-3.8A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.7A)
 0.93A 4kn2C-4lrhA:
34.7		 4kn2C-4lrhA:
77.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lrh FOLATE RECEPTOR
ALPHA

(Homo sapiens) 		PF03024
(Folate_rec) 		12 ASP A  81
THR A  82
TYR A  85
SER A 101
TRP A 102
ARG A 103
HIS A 135
GLY A 137
TRP A 140
TRP A 171
SER A 174
TYR A 175
 FOL  A 301 (-2.7A)
None
FOL  A 301 (-4.1A)
FOL  A 301 (-3.5A)
FOL  A 301 (-4.2A)
FOL  A 301 (-3.2A)
FOL  A 301 (-4.1A)
FOL  A 301 (-4.3A)
FOL  A 301 (-3.6A)
FOL  A 301 (-3.7A)
FOL  A 301 (-2.8A)
FOL  A 301 (-4.1A)
 0.44A 4kn2C-4lrhA:
34.7		 4kn2C-4lrhA:
77.36
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 159
SER A  97
HIS A 186
GLY A 322
TYR A 247
 2H3  A 402 (-2.8A)
None
2H3  A 402 ( 3.8A)
None
2H3  A 402 (-4.5A)
 1.22A 4kn2C-4n54A:
undetectable		 4kn2C-4n54A:
19.08
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 TYR A 489
TRP A 150
HIS A 388
GLY A 362
SER A  77
 None
 1.22A 4kn2C-5cslA:
undetectable		 4kn2C-5cslA:
6.18
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 380
TYR A 382
SER A 398
GLY A 162
SER A 173
 None
None
None
FAD  A 501 (-3.2A)
None
 1.02A 4kn2C-5l6fA:
undetectable		 4kn2C-5l6fA:
15.40