SIMILAR PATTERNS OF AMINO ACIDS FOR 1HWK_C_117C4_2

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.
1eb6 NEUTRAL PROTEASE II

(Aspergillus
oryzae) 		PF02102
(Peptidase_M35) 		5 ASN A  79
SER A  13
LEU A  14
ALA A  17
LEU A  18
 None
EDO  A1178 (-3.6A)
None
None
None
 1.25A 1hwkD-1eb6A:
0.0		 1hwkD-1eb6A:
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.
1id1 PUTATIVE POTASSIUM
CHANNEL PROTEIN

(Escherichia
coli) 		PF02254
(TrkA_N) 		5 SER A  14
ASN A  19
LEU A  16
ALA A 106
LEU A 125
 None
 1.40A 1hwkD-1id1A:
0.0		 1hwkD-1id1A:
17.15
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 CYH A 365
HIS A 103
LEU A  95
ALA A 250
LEU A 247
 HEM  A 440 (-2.3A)
HEM  A 440 (-3.9A)
HEM  A 440 (-3.7A)
EPB  A 450 ( 3.7A)
None
 1.23A 1hwkD-1q5dA:
0.0		 1hwkD-1q5dA:
23.11
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.
1uc8 LYSINE BIOSYNTHESIS
ENZYME

(Thermus
thermophilus) 		PF08443
(RimK) 		5 GLU A  13
CYH A  56
LEU A  53
ALA A  52
LEU A   2
 None
 1.33A 1hwkD-1uc8A:
0.0		 1hwkD-1uc8A:
20.89
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 CYH A 356
HIS A 105
SER A  98
ALA A 241
LEU A 238
 HEM  A1430 (-2.4A)
HEM  A1430 (-3.9A)
PG4  A4502 ( 3.6A)
PG4  A4502 (-4.3A)
None
 1.29A 1hwkD-1uedA:
0.0		 1hwkD-1uedA:
20.53
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.
1w6f ARYLAMINE
N-ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF00797
(Acetyltransf_2) 		5 ARG A 123
ASN A 111
SER A 114
LEU A 113
LEU A  81
 None
 1.24A 1hwkD-1w6fA:
0.0		 1hwkD-1w6fA:
21.50
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 CYH A  99
ASN A 128
LEU A  87
ALA A  90
LEU A  91
 None
 0.88A 1hwkD-1ydoA:
0.0		 1hwkD-1ydoA:
22.59
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 CYH A 564
HIS A 553
SER A 570
LEU A 580
LEU A 578
 None
 1.44A 1hwkD-2f5vA:
0.0		 1hwkD-2f5vA:
19.90
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 GLU A  70
SER A  35
SER A  37
LEU A  63
LEU A  41
 None
 1.46A 1hwkD-2fafA:
undetectable		 1hwkD-2fafA:
22.12
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.
2kra PROKINETICIN BV8

(Bombina
variegata) 		PF06607
(Prokineticin) 		5 ARG A  26
HIS A  42
SER A  57
LEU A  58
ALA A  23
 None
 1.20A 1hwkD-2kraA:
undetectable		 1hwkD-2kraA:
11.32
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 HIS A 632
ASN A 634
SER A 602
LEU A 603
LEU A 543
 None
 1.32A 1hwkD-2oajA:
undetectable		 1hwkD-2oajA:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		11 GLU A 559
CYH A 561
SER A 565
ARG A 568
LYS A 735
HIS A 752
ASN A 755
SER A 852
LEU A 853
ALA A 856
LEU A 857
 None
 0.18A 1hwkD-2r4fA:
41.1		 1hwkD-2r4fA:
95.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		6 SER A 565
ARG A 568
LYS A 735
HIS A 752
SER A 852
ALA A 855
 None
 1.45A 1hwkD-2r4fA:
41.1		 1hwkD-2r4fA:
95.81
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A 303
ASN A 310
SER A 165
ALA A 163
LEU A 339
 None
 1.45A 1hwkD-2rjtA:
undetectable		 1hwkD-2rjtA:
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 SER A 225
SER A 191
LEU A 227
ALA A 119
LEU A 123
 None
 1.45A 1hwkD-3aarA:
undetectable		 1hwkD-3aarA:
19.88
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 CYH A 240
SER B 254
ASN A 255
SER B 249
ALA A 222
 None
 1.34A 1hwkD-3ayxA:
undetectable		 1hwkD-3ayxA:
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 ARG A 245
ASN A  98
SER A 380
LEU A 375
LEU A  83
 None
 1.30A 1hwkD-3bzmA:
0.5		 1hwkD-3bzmA:
21.86
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 ASN A 354
SER A 357
LEU A 358
ALA A 361
LEU A 362
 None
PGE  A 471 (-4.8A)
PGE  A 471 ( 4.3A)
PGE  A 471 ( 3.9A)
None
 1.48A 1hwkD-3ij3A:
0.7		 1hwkD-3ij3A:
23.06
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.
3o6n APL1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ARG A 354
ASN A 369
LEU A 334
ALA A 335
LEU A 315
 None
 1.37A 1hwkD-3o6nA:
undetectable		 1hwkD-3o6nA:
22.00
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLU A 804
SER A 750
LEU A 751
ALA A 711
LEU A 707
 None
 1.45A 1hwkD-3p5pA:
undetectable		 1hwkD-3p5pA:
21.65
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.
3ue6 AUREOCHROME1

(Vaucheria
frigida) 		PF13426
(PAS_9) 		5 ASN A 312
SER A 207
LEU A 208
ALA A 211
LEU A 212
 None
 1.16A 1hwkD-3ue6A:
undetectable		 1hwkD-3ue6A:
16.16
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.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		5 CYH A 849
SER A 838
LEU A 837
ALA A 834
LEU A 833
 None
None
None
None
ADP  A1201 (-3.9A)
 1.48A 1hwkD-4d86A:
undetectable		 1hwkD-4d86A:
22.95
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 GLU M  92
SER M 224
LEU M 226
ALA M 229
LEU M 230
 None
 1.14A 1hwkD-4heaM:
undetectable		 1hwkD-4heaM:
22.81
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.
4odm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Thermus
thermophilus) 		PF00254
(FKBP_C) 		5 GLU A  41
ARG A 136
HIS A  33
LEU A  30
ALA A 148
 None
ACT  A 202 (-4.0A)
None
None
CL  A 201 (-4.0A)
 1.48A 1hwkD-4odmA:
undetectable		 1hwkD-4odmA:
14.29
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 CYH A 385
HIS A 411
SER A 336
LEU A 337
ALA A 340
 None
 1.32A 1hwkD-4pj3A:
undetectable		 1hwkD-4pj3A:
16.31
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.
4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11

(Homo sapiens) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 SER A 100
ASN A 137
LEU A 102
ALA A 122
LEU A 118
 None
 1.13A 1hwkD-4uucA:
undetectable		 1hwkD-4uucA:
20.35
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLU A 295
SER A 317
LEU A 191
ALA A 319
LEU A 189
 None
 1.09A 1hwkD-4uy6A:
undetectable		 1hwkD-4uy6A:
21.53
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.
5a01 O-GLYCOSYLTRANSFERAS
E

(Drosophila
melanogaster) 		PF13374
(TPR_10)
PF13414
(TPR_11)
PF13844
(Glyco_transf_41) 		5 ARG A 630
SER A 622
LEU A 621
ALA A 620
LEU A 643
 None
 1.38A 1hwkD-5a01A:
undetectable		 1hwkD-5a01A:
21.31
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 GLU B 110
SER B  80
LEU B 107
ALA B  78
LEU B  99
 None
 0.97A 1hwkD-5co4B:
undetectable		 1hwkD-5co4B:
16.81
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.
5ejj UFM1-SPECIFIC
PROTEASE

(Caenorhabditis
elegans) 		PF07910
(Peptidase_C78) 		5 GLU A 253
SER A 139
HIS A 314
LEU A 312
LEU A 305
 None
 1.46A 1hwkD-5ejjA:
undetectable		 1hwkD-5ejjA:
23.27
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 CYH I  31
HIS I 185
LEU I  34
ALA I  44
LEU I  14
 7F1  I 300 ( 3.8A)
None
None
None
None
 1.46A 1hwkD-5fmgI:
undetectable		 1hwkD-5fmgI:
18.33
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.
5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3

(Rattus
norvegicus) 		PF12796
(Ank_2)
PF16511
(FERM_f0) 		5 ASN A 142
SER A 154
LEU A 153
ALA A 156
LEU A 166
 None
 1.44A 1hwkD-5g4xA:
undetectable		 1hwkD-5g4xA:
22.32
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.
5gml GOLGI
REASSEMBLY-STACKING
PROTEIN 2

(Mus musculus) 		PF04495
(GRASP55_65) 		5 GLU A 154
HIS A 156
LEU A 161
ALA A 139
LEU A 163
 None
 1.25A 1hwkD-5gmlA:
undetectable		 1hwkD-5gmlA:
18.55
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 GLU A 280
ARG A 180
LEU A 228
ALA A 225
LEU A 224
 None
 1.25A 1hwkD-5hmqA:
undetectable		 1hwkD-5hmqA:
21.25
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 ARG A 280
HIS A 354
SER A 317
LEU A 281
LEU A 327
 UDP  A 501 (-3.8A)
None
G6P  A 502 ( 4.3A)
None
None
 1.40A 1hwkD-5huuA:
undetectable		 1hwkD-5huuA:
22.16
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ASN A 540
SER A 407
LEU A 408
ALA A 411
LEU A 412
 None
 1.49A 1hwkD-5l3dA:
undetectable		 1hwkD-5l3dA:
20.47
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		5 GLU A 719
ARG A1034
ASN A1023
LEU A1025
LEU A 956
 None
 1.45A 1hwkD-5mqsA:
undetectable		 1hwkD-5mqsA:
18.30
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ARG D  91
SER D 155
LEU D 156
ALA D 201
LEU D 202
 None
 1.37A 1hwkD-5vrdD:
undetectable		 1hwkD-5vrdD:
13.25
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 CYH A 174
SER A  79
LEU A  80
ALA A  83
LEU A  84
 None
 0.82A 1hwkD-5w70A:
undetectable		 1hwkD-5w70A:
22.79
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.
6emg G0S4M2

(Chaetomium
thermophilum) 		no annotation 5 CYH A  71
HIS A  30
LEU A  26
ALA A  57
LEU A  14
 None
 1.47A 1hwkD-6emgA:
undetectable		 1hwkD-6emgA:
10.02