SIMILAR PATTERNS OF AMINO ACIDS FOR 4HWK_D_SFYD803_0

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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00161
(RIP) 		5 LEU A  39
SER A 202
LEU A 201
PHE A 168
ALA A  73
 None
 1.28A 4hwkD-1abrA:
undetectable		 4hwkD-1abrA:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		10 LEU A 105
SER A 158
LEU A 159
CYH A 160
TRP A 168
TYR A 171
PRO A 201
MET A 206
GLN A 207
ALA A 210
 OAA  A   1 (-4.0A)
OAA  A   1 (-2.5A)
None
OAA  A   1 ( 3.9A)
None
OAA  A   1 ( 4.3A)
None
OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.6A)
OAA  A   1 (-3.5A)
 0.28A 4hwkD-1oaaA:
42.3		 4hwkD-1oaaA:
72.01
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 LEU A 274
LEU A 157
PHE A 322
PRO A 162
ALA A 169
 None
 1.33A 4hwkD-1vgpA:
undetectable		 4hwkD-1vgpA:
25.46
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.
1x3a SYNAPSE ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF03909
(BSD) 		5 LEU A  53
SER A  22
LEU A  21
TRP A  77
ALA A  49
 None
 1.40A 4hwkD-1x3aA:
undetectable		 4hwkD-1x3aA:
17.14
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.
2ad1 SULFOTRANSFERASE 1C2

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
 None
 1.12A 4hwkD-2ad1A:
2.2		 4hwkD-2ad1A:
21.08
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 LEU A 231
LEU A  83
PRO A  88
GLN A 224
ALA A 177
 None
 1.09A 4hwkD-2e0wA:
undetectable		 4hwkD-2e0wA:
20.54
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 LEU A 231
LEU A  83
PRO A  88
GLN A 224
ALA A 177
 None
 1.01A 4hwkD-2e0xA:
0.0		 4hwkD-2e0xA:
22.73
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.
2nqo GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		5 LEU A 220
LEU A  72
PRO A  77
GLN A 213
ALA A 166
 None
 1.12A 4hwkD-2nqoA:
undetectable		 4hwkD-2nqoA:
24.00
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 LEU A 121
LEU A 128
MET A 485
GLN A 486
ALA A 489
 None
 1.22A 4hwkD-2pyxA:
0.0		 4hwkD-2pyxA:
20.08
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.
2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 SER A 394
CYH A 390
PHE A 375
TYR A 388
ALA A 365
 None
 1.15A 4hwkD-2rhzA:
undetectable		 4hwkD-2rhzA:
20.00
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.
2z6v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF13469
(Sulfotransfer_3) 		5 LEU A 197
LEU A  35
TRP A 196
TYR A 193
ALA A 201
 None
 1.34A 4hwkD-2z6vA:
1.6		 4hwkD-2z6vA:
23.32
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.
2zr1 AGGLUTININ-1 CHAIN A

(Abrus
precatorius) 		PF00161
(RIP) 		5 LEU A  38
SER A 201
LEU A 200
PHE A 167
ALA A  72
 None
 1.49A 4hwkD-2zr1A:
undetectable		 4hwkD-2zr1A:
20.30
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.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN

(Vibrio
parahaemolyticus) 		PF01965
(DJ-1_PfpI) 		5 LEU A 127
LEU A 145
PHE A 119
PRO A 147
ALA A 132
 None
 1.44A 4hwkD-3er6A:
5.0		 4hwkD-3er6A:
22.67
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 SER A 162
LEU A 163
TYR A 175
MET A 212
ALA A 216
 None
 0.85A 4hwkD-3gvcA:
25.8		 4hwkD-3gvcA:
25.68
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.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		5 LEU A 103
SER A 152
TYR A 165
MET A 202
ALA A 206
 None
ACT  A 255 (-2.6A)
ACT  A 255 ( 4.3A)
NAP  A 254 (-3.6A)
ACT  A 255 ( 4.0A)
 0.49A 4hwkD-3iahA:
27.1		 4hwkD-3iahA:
28.43
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.
3jck 26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C) 		5 LEU A 342
LEU A 379
CYH A 319
TYR A 345
GLN A 312
 None
 1.48A 4hwkD-3jckA:
undetectable		 4hwkD-3jckA:
19.78
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.
3klu UNCHARACTERIZED
PROTEIN YQBN

(Bacillus
subtilis) 		PF08890
(Phage_TAC_5) 		5 LEU A 127
TRP A 126
TYR A 123
PRO A 109
ALA A  86
 None
 1.27A 4hwkD-3kluA:
undetectable		 4hwkD-3kluA:
18.09
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.
3mvg RIBOSOME
INACTIVATING TYPE 1
PROTEIN

(Iris x
hollandica) 		PF00161
(RIP) 		5 LEU A  39
SER A 205
LEU A 204
PHE A 165
ALA A  71
 None
 1.40A 4hwkD-3mvgA:
undetectable		 4hwkD-3mvgA:
22.19
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.
3p3q MMOQ

(Methylococcus
capsulatus) 		PF08668
(HDOD) 		5 LEU A 165
SER A 131
LEU A 132
TYR A 127
ALA A  66
 None
 1.25A 4hwkD-3p3qA:
undetectable		 4hwkD-3p3qA:
24.30
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.
3q1o GERANYLTRANSTRANSFER
ASE (ISPA)

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 LEU A 146
SER A  80
LEU A  79
MET A 197
ALA A 201
 None
 1.14A 4hwkD-3q1oA:
undetectable		 4hwkD-3q1oA:
25.43
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.
3q1o GERANYLTRANSTRANSFER
ASE (ISPA)

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 LEU A 146
SER A  80
LEU A  79
PRO A  51
MET A 197
 None
 1.31A 4hwkD-3q1oA:
undetectable		 4hwkD-3q1oA:
25.43
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		5 LEU A  94
LEU A  98
PHE A 107
PRO A  86
GLN A  72
 None
 1.42A 4hwkD-4a39A:
undetectable		 4hwkD-4a39A:
22.08
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.
4c98 CAS6B

(Thermus
thermophilus) 		PF10040
(CRISPR_Cas6) 		5 LEU A  70
LEU A  41
PHE A  27
PRO A 255
ALA A  22
 None
 1.50A 4hwkD-4c98A:
undetectable		 4hwkD-4c98A:
23.75
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 SER A 222
LEU A 223
PHE A 236
TYR A 237
ALA A 242
 None
 1.28A 4hwkD-4iqlA:
undetectable		 4hwkD-4iqlA:
24.55
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.
4l59 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN 3

(Homo sapiens) 		PF02820
(MBT) 		5 SER A 420
CYH A 416
PHE A 401
TYR A 414
ALA A 391
 None
 1.19A 4hwkD-4l59A:
undetectable		 4hwkD-4l59A:
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.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 LEU A 216
PRO A 262
MET A 372
GLN A 261
ALA A 368
 None
 1.45A 4hwkD-4p72A:
undetectable		 4hwkD-4p72A:
17.92
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.
4ph6 3-DEHYDROQUINATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF01487
(DHquinase_I) 		5 LEU A 140
LEU A 223
PRO A 199
MET A 161
ALA A 166
 None
 1.42A 4hwkD-4ph6A:
2.1		 4hwkD-4ph6A:
22.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z3k SEPIAPTERIN
REDUCTASE

(Homo sapiens) 		PF00106
(adh_short) 		11 LEU A 101
SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
ALA A 206
 None
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
4KL  A 802 ( 4.3A)
 0.27A 4hwkD-4z3kA:
45.5		 4hwkD-4z3kA:
94.44
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.
4z8s RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00161
(RIP) 		5 LEU A  39
SER A 198
LEU A 197
PHE A 164
ALA A  71
 None
 1.27A 4hwkD-4z8sA:
undetectable		 4hwkD-4z8sA:
19.66
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.
5cmo HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Neisseria
meningitidis) 		PF01648
(ACPS) 		5 LEU A  49
LEU A  37
TYR A  48
GLN A  24
ALA A  27
 None
 1.38A 4hwkD-5cmoA:
undetectable		 4hwkD-5cmoA:
17.53
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.
5ddz RICIN

(Ricinus
communis) 		PF00161
(RIP) 		5 LEU A  45
SER A 215
LEU A 214
PHE A 181
ALA A  79
 None
 1.28A 4hwkD-5ddzA:
undetectable		 4hwkD-5ddzA:
22.89
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 LEU A  51
CYH A  29
PRO A 147
MET A  56
ALA A  58
 None
 1.33A 4hwkD-5f7cA:
1.8		 4hwkD-5f7cA:
15.89
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		5 LEU A 126
SER A 135
LEU A 138
PHE A 102
ALA A  77
 None
 1.36A 4hwkD-5frsA:
undetectable		 4hwkD-5frsA:
16.83
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		5 LEU A 137
LEU A 495
TYR A 138
PRO A 497
ALA A 529
 None
 1.42A 4hwkD-5fx8A:
undetectable		 4hwkD-5fx8A:
19.59
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 LEU A  14
SER A 603
LEU A 604
PRO A 599
ALA A 316
 None
 1.44A 4hwkD-5k3jA:
undetectable		 4hwkD-5k3jA:
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.
5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 LEU A 431
LEU A 196
TRP A 428
TYR A 192
MET A 453
 None
 1.45A 4hwkD-5nijA:
undetectable		 4hwkD-5nijA:
undetectable
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.
5vxv PEROXISOMAL MEMBRANE
PROTEIN PEX15

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 242
SER A 223
CYH A 216
TRP A 213
TYR A 212
 None
 1.35A 4hwkD-5vxvA:
undetectable		 4hwkD-5vxvA:
undetectable
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.
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 LEU A 179
SER C1038
LEU C1037
GLN A 202
ALA A 199
 None
None
None
GOL  A 401 ( 3.3A)
None
 1.39A 4hwkD-6au8A:
undetectable		 4hwkD-6au8A:
22.22
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.
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 LEU A 179
SER C1038
LEU C1037
TYR A 182
GLN A 202
 None
None
None
None
GOL  A 401 ( 3.3A)
 1.45A 4hwkD-6au8A:
undetectable		 4hwkD-6au8A:
22.22
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.
6co1 TUDOR-INTERACTING
REPAIR REGULATOR
PROTEIN

(Homo sapiens) 		no annotation 5 LEU A 192
LEU A  60
PHE A 160
GLN A 199
ALA A 195
 None
 1.33A 4hwkD-6co1A:
undetectable		 4hwkD-6co1A:
undetectable