SIMILAR PATTERNS OF AMINO ACIDS FOR 1IKV_A_EFZA2000_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.
1bmt METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 COB  A 122 (-4.4A)
COB  A 122 ( 4.6A)
None
None
None
 1.28A 1ikvA-1bmtA:
1.7		 1ikvA-1bmtA:
18.97
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.
1f2p AMINOPEPTIDASE

(Streptomyces
griseus) 		PF04389
(Peptidase_M28) 		5 LEU A 153
VAL A 211
TYR A 156
GLY A 212
LEU A 145
 None
 1.16A 1ikvA-1f2pA:
undetectable		 1ikvA-1f2pA:
20.07
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		5 LEU A 324
VAL A  17
GLY A 302
LEU A 278
TYR A 319
 None
 1.12A 1ikvA-1fcuA:
0.5		 1ikvA-1fcuA:
20.68
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 VAL A 553
VAL A 673
GLY A 554
TRP A 546
LEU A 568
 None
 1.38A 1ikvA-1hn0A:
0.0		 1ikvA-1hn0A:
20.76
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		5 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.32A 1ikvA-1k7yA:
1.1		 1ikvA-1k7yA:
20.61
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 LEU A 164
VAL A 173
TYR A 417
GLY A  83
LEU A 420
 None
 1.43A 1ikvA-1lfwA:
2.2		 1ikvA-1lfwA:
22.26
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.
1q6y HYPOTHETICAL PROTEIN
YFDW

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 LEU A 179
VAL A 198
VAL A  96
GLY A 124
LEU A 183
 None
 1.38A 1ikvA-1q6yA:
undetectable		 1ikvA-1q6yA:
21.23
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.
1sg3 ALLANTOICASE

(Saccharomyces
cerevisiae) 		PF03561
(Allantoicase) 		5 LEU A  30
VAL A 184
TYR A 200
GLY A 204
LEU A 223
 None
 1.49A 1ikvA-1sg3A:
0.0		 1ikvA-1sg3A:
20.11
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 143
VAL A  95
TYR A  81
GLY A  79
LEU A 132
 None
 1.29A 1ikvA-1w78A:
1.1		 1ikvA-1w78A:
20.90
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A  60
VAL A  87
GLY A  88
LEU A  12
TYR A  44
 GOL  A1272 (-4.0A)
None
GOL  A1271 (-3.8A)
None
None
 1.20A 1ikvA-1yq9A:
undetectable		 1ikvA-1yq9A:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		9 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.73A 1ikvA-2hnzA:
37.5		 1ikvA-2hnzA:
97.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
VAL A 179
TYR A 181
GLY A 190
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.3A)
 1.46A 1ikvA-2hnzA:
37.5		 1ikvA-2hnzA:
97.95
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.
2p6n ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00271
(Helicase_C) 		5 LEU A 545
VAL A 559
VAL A 412
TYR A 414
LEU A 566
 None
 1.21A 1ikvA-2p6nA:
undetectable		 1ikvA-2p6nA:
15.90
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 352
VAL A 329
TYR A 305
GLY A 302
LEU A 353
 None
 1.33A 1ikvA-2q49A:
undetectable		 1ikvA-2q49A:
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		5 LEU A  27
VAL A  35
VAL A 107
TYR A  10
GLY A   8
 None
None
None
NAD  A 601 (-4.6A)
None
 1.15A 1ikvA-2qjoA:
undetectable		 1ikvA-2qjoA:
19.44
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 140
VAL A   5
VAL A 104
GLY A 102
LEU A 124
 None
 1.45A 1ikvA-2qzxA:
undetectable		 1ikvA-2qzxA:
19.69
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.
2yv4 HYPOTHETICAL PROTEIN
PH0435

(Pyrococcus
horikoshii) 		PF03481
(SUA5) 		5 LEU A 262
VAL A 271
VAL A 308
GLY A 270
LEU A 258
 None
 1.22A 1ikvA-2yv4A:
undetectable		 1ikvA-2yv4A:
10.29
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 LEU A 206
VAL A 189
VAL A 192
GLY A 191
TYR A 210
 None
 1.18A 1ikvA-3anyA:
undetectable		 1ikvA-3anyA:
21.32
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 LEU A 130
VAL A  42
TYR A  82
TRP A 115
LEU A 113
 None
 1.48A 1ikvA-3aquA:
undetectable		 1ikvA-3aquA:
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 1.04A 1ikvA-3dd6A:
undetectable		 1ikvA-3dd6A:
19.72
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		5 LEU A 283
TYR A 344
GLY A 317
LEU A 257
TYR A 228
 None
EDO  A 362 (-4.7A)
None
None
None
 1.39A 1ikvA-3ianA:
undetectable		 1ikvA-3ianA:
20.69
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 LEU A  46
VAL A  85
VAL A  29
TRP A 122
LEU A 106
 None
None
GOL  A 563 ( 4.3A)
None
None
 1.48A 1ikvA-3rcnA:
undetectable		 1ikvA-3rcnA:
20.95
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.
3wic GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 LEU A 248
VAL A 204
VAL A 212
TYR A 201
GLY A 205
 None
 1.43A 1ikvA-3wicA:
2.2		 1ikvA-3wicA:
22.38
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  71
VAL A  57
TYR A 151
GLY A  58
LEU A  75
 None
 1.41A 1ikvA-4d4gA:
undetectable		 1ikvA-4d4gA:
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.
4f8x ENDO-1,4-BETA-XYLANA
SE

(Penicillium
canescens) 		PF00331
(Glyco_hydro_10) 		5 LEU A 225
VAL A 235
TYR A 203
GLY A 234
LEU A 221
 None
 1.27A 1ikvA-4f8xA:
1.9		 1ikvA-4f8xA:
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.
4ftw PHOSPHOLIPASE/CARBOX
YLESTERASE

(Rhodobacter
sphaeroides) 		PF02230
(Abhydrolase_2) 		5 LEU A 255
VAL A 162
VAL A 211
GLY A 187
LEU A  85
 None
 1.40A 1ikvA-4ftwA:
undetectable		 1ikvA-4ftwA:
19.07
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 VAL A   9
TYR A 413
TYR A 417
GLY A  13
LEU A 383
 None
None
None
None
EDO  A 505 ( 4.8A)
 1.46A 1ikvA-4hjlA:
undetectable		 1ikvA-4hjlA:
23.33
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.
4jgg ESTERASE TESA

(Pseudomonas
aeruginosa) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 176
VAL A  39
TYR A  35
TYR A  37
LEU A  67
 None
 1.35A 1ikvA-4jggA:
undetectable		 1ikvA-4jggA:
17.25
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.
4jj9 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
DELTA-ISOMERASE

(Bordetella
bronchiseptica) 		PF02962
(CHMI) 		5 LEU A  16
VAL A 116
TYR A   8
GLY A  75
LEU A 107
 None
 1.48A 1ikvA-4jj9A:
undetectable		 1ikvA-4jj9A:
13.96
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.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 LEU A 139
VAL A  79
VAL A  90
GLY A  80
LEU A 170
 None
 1.32A 1ikvA-4lecA:
undetectable		 1ikvA-4lecA:
17.26
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.
4p4o DNA POLYMERASE BETA

(Leishmania
infantum) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		5 LEU A 165
VAL A 195
TYR A 242
LEU A 225
TYR A 164
 None
 1.49A 1ikvA-4p4oA:
3.4		 1ikvA-4p4oA:
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 LEU A 240
VAL A  39
VAL A  13
GLY A  38
TYR A 222
 None
 1.35A 1ikvA-4p6bA:
undetectable		 1ikvA-4p6bA:
19.68
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.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 VAL A 150
VAL A 138
GLY A 149
TRP A 301
LEU A 320
 None
 1.48A 1ikvA-4q0mA:
undetectable		 1ikvA-4q0mA:
22.20
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 VAL A 283
VAL A 303
TYR A 295
GLY A 297
LEU A 276
 None
 1.37A 1ikvA-4wjsA:
undetectable		 1ikvA-4wjsA:
22.09
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.
4xb0 SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00659
(POLO_box) 		5 VAL A 527
VAL A 508
TYR A 510
TYR A 514
GLY A 517
 None
 1.35A 1ikvA-4xb0A:
undetectable		 1ikvA-4xb0A:
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.28A 1ikvA-4xiiA:
1.8		 1ikvA-4xiiA:
21.52
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 LEU H 154
VAL H  13
VAL H   4
TYR H 124
LEU H 146
 None
 1.11A 1ikvA-5fg9H:
undetectable		 1ikvA-5fg9H:
18.71
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 435
VAL A 735
GLY A 734
LEU A 760
TYR A 431
 None
 1.07A 1ikvA-5kufA:
undetectable		 1ikvA-5kufA:
21.75
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 LEU A 288
VAL A 240
TYR A 238
GLY A 283
TYR A  11
 None
 1.45A 1ikvA-5mg5A:
undetectable		 1ikvA-5mg5A:
10.28
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.
5tlq THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 LEU A 144
VAL A 157
VAL A  19
GLY A 160
LEU A  63
 1YO  A 201 ( 4.2A)
None
None
None
1YO  A 201 ( 4.0A)
 1.19A 1ikvA-5tlqA:
undetectable		 1ikvA-5tlqA:
19.03
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.
5w75 ELONGATION FACTOR TU

(Thermotoga
neapolitana) 		no annotation 5 LEU A 157
VAL A 168
TYR A 163
GLY A 165
LEU A 104
 None
 1.19A 1ikvA-5w75A:
undetectable		 1ikvA-5w75A:
11.53
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 VAL A   7
TYR A 411
TYR A 415
GLY A  11
LEU A 381
 None
 1.44A 1ikvA-5xbpA:
undetectable		 1ikvA-5xbpA:
20.14
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.
6b7k ENDO-ALPHA-(1->5)-L-
ARABINANASE

(Bacillus
licheniformis) 		no annotation 5 LEU A 195
VAL A 181
GLY A 151
LEU A 154
TYR A 224
 None
 1.35A 1ikvA-6b7kA:
undetectable		 1ikvA-6b7kA:
9.14