SIMILAR PATTERNS OF AMINO ACIDS FOR 1HK3_A_T44A3001_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.
1b8x PROTEIN (AML-1B)

(Escherichia
coli) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A 163
PRO A  15
LEU A  18
ARG A  17
ALA A 199
 None
 1.09A 1hk3A-1b8xA:
1.6		 1hk3A-1b8xA:
18.69
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.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 TYR X  51
LEU X 237
ARG X 240
HIS X 229
ARG X  50
ALA X 207
 None
 1.47A 1hk3A-1jpdX:
undetectable		 1hk3A-1jpdX:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		6 TYR A 150
LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
None
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.33A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		8 TYR A 150
LYS A 195
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.61A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		8 TYR A 150
LYS A 195
LYS A 199
TRP A 214
LEU A 219
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 (-4.1A)
CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.77A 1hk3A-1tf0A:
48.1		 1hk3A-1tf0A:
99.83
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.
2dyk GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1) 		5 LYS A 117
LEU A  93
ARG A   9
LEU A 130
ALA A  86
 GDP  A 501 (-3.6A)
None
None
None
None
 1.32A 1hk3A-2dykA:
undetectable		 1hk3A-2dykA:
14.50
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.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 TRP A  98
PRO A  41
LEU A  46
LEU A 106
ALA A  37
 None
 1.45A 1hk3A-2janA:
0.4		 1hk3A-2janA:
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 TRP A 434
PRO A 435
LEU A 415
LEU A 392
ALA A 381
 None
 1.46A 1hk3A-2z7xA:
undetectable		 1hk3A-2z7xA:
23.17
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 TRP A 434
PRO A 435
LEU A 415
LEU A 392
ALA A 381
 None
 1.46A 1hk3A-2z81A:
undetectable		 1hk3A-2z81A:
22.76
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.
3cru GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME

(Schistosoma
japonicum) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A 164
PRO A  16
LEU A  19
ARG A  18
ALA A 200
 None
 1.15A 1hk3A-3cruA:
undetectable		 1hk3A-3cruA:
15.67
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.
3u9l 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 LEU A 178
ARG A 134
LEU A 141
HIS A  93
ALA A 129
 None
 1.24A 1hk3A-3u9lA:
0.0		 1hk3A-3u9lA:
20.25
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.
4b67 L-ORNITHINE N5
MONOOXYGENASE

(Aspergillus
fumigatus) 		PF13434
(K_oxygenase) 		5 LEU A  82
LEU A  43
HIS A  40
ARG A 202
ALA A 200
 None
 1.47A 1hk3A-4b67A:
undetectable		 1hk3A-4b67A:
22.44
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 PRO A 246
LEU A 249
LEU A 267
ARG A 187
ALA A 185
 None
None
None
FAD  A1398 (-3.6A)
FAD  A1398 ( 4.0A)
 1.49A 1hk3A-4bk1A:
undetectable		 1hk3A-4bk1A:
20.40
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 LEU A 404
ARG A 441
LEU A 419
ARG A 467
ALA A 442
 None
 1.10A 1hk3A-4fwgA:
2.7		 1hk3A-4fwgA:
21.87
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.
4i5u CHIMERIC CEL6A

(Chaetomium
thermophilum;
Humicola
insolens;
Trichoderma
reesei) 		PF01341
(Glyco_hydro_6) 		5 TYR A 104
LEU A 121
ARG A 122
LEU A 439
ALA A 112
 None
 1.26A 1hk3A-4i5uA:
undetectable		 1hk3A-4i5uA:
20.97
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.
4j25 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF13640
(2OG-FeII_Oxy_3) 		5 PRO A   5
LEU A  33
LEU A  37
ARG A  44
ALA A  80
 None
 1.39A 1hk3A-4j25A:
undetectable		 1hk3A-4j25A:
16.82
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.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		5 TYR A 159
PRO A 139
LEU A 140
HIS A 130
ALA A 219
 None
 1.39A 1hk3A-4lnaA:
undetectable		 1hk3A-4lnaA:
18.83
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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		5 TYR A 161
PRO A 141
LEU A 142
HIS A 133
ALA A 221
 None
 1.45A 1hk3A-4m1eA:
undetectable		 1hk3A-4m1eA:
19.57
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.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 5 PRO G 271
LEU G 280
LEU G 316
HIS G 319
ARG G 263
 None
 1.47A 1hk3A-4neeG:
undetectable		 1hk3A-4neeG:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		6 TYR A 150
LEU A 219
ARG A 218
LEU A 238
HIS A 242
ARG A 257
 None
 1.36A 1hk3A-4po0A:
45.4		 1hk3A-4po0A:
74.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		6 TYR A 150
TRP A 214
LEU A 219
LEU A 238
HIS A 242
ARG A 257
 None
 0.47A 1hk3A-4po0A:
45.4		 1hk3A-4po0A:
74.14
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.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 5 TRP A 163
PRO A  93
LEU A 173
HIS A 196
ALA A 184
 TEC  A 404 (-4.6A)
None
None
TEC  A 404 (-4.1A)
None
 1.46A 1hk3A-4q38A:
undetectable		 1hk3A-4q38A:
19.20
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.
4u33 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 PRO A 175
LEU A 176
LEU A 205
ARG A 134
ALA A 196
 None
 1.23A 1hk3A-4u33A:
2.2		 1hk3A-4u33A:
21.13
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.
4xyi KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
japonicus) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 LEU A  73
ARG A 135
LEU A  86
HIS A 127
ALA A 145
 None
 1.28A 1hk3A-4xyiA:
undetectable		 1hk3A-4xyiA:
20.03
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		5 TYR A  76
TRP A 190
LEU A 171
ARG A 148
HIS A 318
 None
 1.42A 1hk3A-5bovA:
undetectable		 1hk3A-5bovA:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		6 TYR A 149
LEU A 218
ARG A 217
LEU A 237
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
None
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.41A 1hk3A-5dqfA:
45.9		 1hk3A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		8 TYR A 149
LYS A 194
TRP A 213
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
CL  A 617 ( 4.0A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.75A 1hk3A-5dqfA:
45.9		 1hk3A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		6 TYR A 149
LYS A 198
TRP A 213
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.86A 1hk3A-5dqfA:
45.9		 1hk3A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		5 LYS A 195
LYS A 199
TRP A 214
LEU A 219
ALA A 291
 None
 1.03A 1hk3A-5ghkA:
45.3		 1hk3A-5ghkA:
79.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		6 TYR A 150
LEU A 219
ARG A 218
LEU A 238
ARG A 257
ALA A 291
 None
 1.49A 1hk3A-5ghkA:
45.3		 1hk3A-5ghkA:
79.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		5 TYR A 150
LYS A 195
LEU A 219
ARG A 257
ALA A 291
 None
 1.42A 1hk3A-5ghkA:
45.3		 1hk3A-5ghkA:
79.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		8 TYR A 150
LYS A 199
TRP A 214
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 None
 0.61A 1hk3A-5ghkA:
45.3		 1hk3A-5ghkA:
79.79
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		5 TYR A 128
PRO A 163
LEU A 158
LEU A 145
ALA A 167
 None
 1.25A 1hk3A-5mscA:
3.1		 1hk3A-5mscA:
20.31
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.
5opt 40S RIBOSOMAL
PROTEIN S16,
PUTATIVE
40S RIBOSOMAL
PROTEIN S5, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 5 LYS r  19
LEU O  73
LEU r  50
ARG r  88
ALA O  39
 C  E2143 ( 3.1A)
A  E2059 ( 4.5A)
None
None
None
 1.06A 1hk3A-5optr:
1.4		 1hk3A-5optr:
14.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 6 TYR A 149
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 None
 0.58A 1hk3A-5oriA:
44.9		 1hk3A-5oriA:
74.49
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 6 TYR A 150
LEU A 219
ARG A 218
LEU A 238
HIS A 242
ARG A 257
 None
 1.38A 1hk3A-5yxeA:
46.2		 1hk3A-5yxeA:
11.11
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 6 TYR A 150
LYS A 195
LYS A 199
LEU A 219
HIS A 242
ARG A 257
 None
 0.71A 1hk3A-5yxeA:
46.2		 1hk3A-5yxeA:
11.11
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 6 TYR A 150
LYS A 199
TRP A 214
LEU A 219
HIS A 242
ARG A 257
 None
 0.52A 1hk3A-5yxeA:
46.2		 1hk3A-5yxeA:
11.11
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 6 TYR A 150
TRP A 214
LEU A 219
LEU A 238
HIS A 242
ARG A 257
 None
 0.65A 1hk3A-5yxeA:
46.2		 1hk3A-5yxeA:
11.11