SIMILAR PATTERNS OF AMINO ACIDS FOR 1HK1_A_T44A3001

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.
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
 1.46A 1hk1A-1jpdX:
undetectable		 1hk1A-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) 		5 LYS A 199
TRP A 214
LEU A 219
HIS A 242
ALA A 291
 CIT  A2001 ( 2.7A)
None
None
DKA  A1003 (-3.7A)
CIT  A2001 ( 3.9A)
 0.77A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
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)
 1.27A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
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) 		7 TYR A 150
LYS A 199
ARG A 218
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
CIT  A2001 (-4.0A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 1.10A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
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) 		7 TYR A 150
LYS A 199
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
CIT  A2001 ( 3.9A)
 0.30A 1hk1A-1tf0A:
48.8		 1hk1A-1tf0A:
100.00
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.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		5 ARG A  41
LEU A  44
LEU A 157
HIS A 159
ALA A   9
 None
 1.36A 1hk1A-1ywfA:
1.3		 1hk1A-1ywfA:
20.77
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.
1z63 HELICASE OF THE
SNF2/RAD54 FAMILY

(Sulfolobus
solfataricus) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 LEU A 492
ARG A 456
LEU A 518
HIS A 517
ALA A 481
 None
 1.36A 1hk1A-1z63A:
2.3		 1hk1A-1z63A:
21.26
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.
2hmc DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 TYR A 276
LEU A  67
ARG A  66
LEU A  13
ALA A  27
 None
 1.50A 1hk1A-2hmcA:
0.7		 1hk1A-2hmcA:
20.34
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.
2pod MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME

(Burkholderia
pseudomallei) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TRP A  48
ARG A  52
LEU A  53
ARG A  67
ALA A  65
 None
 1.37A 1hk1A-2podA:
0.4		 1hk1A-2podA:
20.81
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.
3gqi PHOSPHOLIPASE
C-GAMMA-1

(Rattus
norvegicus) 		PF00017
(SH2) 		5 ARG B 684
LEU B 682
LEU B 692
HIS B 670
ALA B 760
 None
 1.37A 1hk1A-3gqiB:
undetectable		 1hk1A-3gqiB:
17.67
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane)
PF03598
(CdhC) 		5 TYR A 628
LYS A 197
ARG M 117
LEU M  39
HIS A 201
 None
 1.37A 1hk1A-3i04A:
0.0		 1hk1A-3i04A:
22.21
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
 1.32A 1hk1A-3u9lA:
undetectable		 1hk1A-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.
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
 1.18A 1hk1A-4i5uA:
undetectable		 1hk1A-4i5uA:
20.62
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.
4k22 PROTEIN VISC

(Escherichia
coli) 		PF01494
(FAD_binding_3) 		5 ARG A 158
LEU A 159
ARG A 283
LEU A 316
ARG A 334
 None
 1.39A 1hk1A-4k22A:
undetectable		 1hk1A-4k22A:
20.71
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) 		5 LEU A 219
ARG A 218
LEU A 238
HIS A 242
ARG A 257
 None
 1.42A 1hk1A-4po0A:
46.1		 1hk1A-4po0A:
74.32
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) 		5 TYR A 150
ARG A 218
LEU A 238
HIS A 242
ARG A 257
 None
 1.03A 1hk1A-4po0A:
46.1		 1hk1A-4po0A:
74.32
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
 0.48A 1hk1A-4po0A:
46.1		 1hk1A-4po0A:
74.32
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.
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
 1.11A 1hk1A-4xyiA:
undetectable		 1hk1A-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.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 TYR A 296
LEU A  87
ARG A  86
LEU A  33
ALA A  47
 None
 1.49A 1hk1A-5czjA:
2.1		 1hk1A-5czjA:
20.93
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) 		7 TYR A 149
ARG A 217
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
CL  A 617 ( 4.6A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.01A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
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)
 1.31A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
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) 		7 TYR A 149
LYS A 198
ARG A 217
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.16A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
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) 		7 TYR A 149
LYS A 198
TRP A 213
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.76A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
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) 		7 TYR A 149
TRP A 213
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.42A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
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
 1.37A 1hk1A-5ghkA:
45.9		 1hk1A-5ghkA:
79.97
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
 1.36A 1hk1A-5ghkA:
45.9		 1hk1A-5ghkA:
79.97
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) 		7 TYR A 150
LYS A 199
ARG A 218
LEU A 238
HIS A 242
ARG A 257
ALA A 291
 None
 0.81A 1hk1A-5ghkA:
45.9		 1hk1A-5ghkA:
79.97
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
 0.47A 1hk1A-5ghkA:
45.9		 1hk1A-5ghkA:
79.97
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
 0.49A 1hk1A-5oriA:
45.3		 1hk1A-5oriA:
74.66
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
ARG A 218
LEU A 219
LEU A 238
HIS A 242
ARG A 257
 None
 1.10A 1hk1A-5yxeA:
46.4		 1hk1A-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
LEU A 219
ARG A 218
LEU A 238
HIS A 242
ARG A 257
 None
 1.28A 1hk1A-5yxeA:
46.4		 1hk1A-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 7 TYR A 150
LYS A 199
TRP A 214
LEU A 219
LEU A 238
HIS A 242
ARG A 257
 None
 0.53A 1hk1A-5yxeA:
46.4		 1hk1A-5yxeA:
11.11