SIMILAR PATTERNS OF AMINO ACIDS FOR 5JNC_A_ACTA305_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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		4 GLN A  88
VAL A  84
GLU A   9
ILE A  11
 None
 1.26A 5jncA-1p8rA:
0.0		 5jncA-1p8rA:
22.60
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.
1pku NUCLEOSIDE
DIPHOSPHATE KINASE I

(Oryza sativa) 		PF00334
(NDK) 		4 GLN A  49
VAL A  65
GLU A  66
ILE A  69
 None
 1.47A 5jncA-1pkuA:
0.0		 5jncA-1pkuA:
19.41
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.
1u39 AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING,
FAMILY A, MEMBER 1

(Homo sapiens) 		PF00595
(PDZ) 		4 GLN A 130
VAL A 132
GLU A 126
ILE A 125
 None
 1.37A 5jncA-1u39A:
0.0		 5jncA-1u39A:
16.74
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		4 GLN A  62
VAL A  19
GLU A  60
ILE A  22
 None
 1.33A 5jncA-1yz6A:
0.0		 5jncA-1yz6A:
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.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		4 GLN A  69
VAL A  81
GLU A  79
ILE A  75
 None
 1.32A 5jncA-2bfrA:
0.0		 5jncA-2bfrA:
22.61
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.
2iut DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		4 GLN A 671
VAL A 399
GLU A 401
ILE A 381
 None
 1.44A 5jncA-2iutA:
0.0		 5jncA-2iutA:
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 4 GLN A 271
VAL A 245
GLU A  94
ILE A  93
 None
 1.28A 5jncA-2jdxA:
0.0		 5jncA-2jdxA:
21.28
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		4 GLN A 307
VAL A 261
GLU A 303
ILE A 302
 None
 1.20A 5jncA-2oryA:
0.0		 5jncA-2oryA:
20.74
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		4 GLN A 133
VAL A  55
GLU A 145
ILE A 143
 None
 1.48A 5jncA-2phlA:
0.0		 5jncA-2phlA:
19.95
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.
3c97 SIGNAL TRANSDUCTION
HISTIDINE KINASE

(Aspergillus
oryzae) 		PF00072
(Response_reg) 		4 GLN A 661
VAL A 653
GLU A 651
ILE A 633
 None
 1.17A 5jncA-3c97A:
undetectable		 5jncA-3c97A:
19.40
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.
3jcm PRE-MRNA-SPLICING
FACTOR 6

(Saccharomyces
cerevisiae) 		PF06424
(PRP1_N) 		4 GLN G 777
VAL G 760
GLU G 776
ILE G 744
 None
 1.36A 5jncA-3jcmG:
undetectable		 5jncA-3jcmG:
15.60
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLN A 378
VAL A 379
GLU A 380
ILE A 368
 None
 1.18A 5jncA-3mruA:
undetectable		 5jncA-3mruA:
18.92
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.
3ouu BIOTIN CARBOXYLASE

(Campylobacter
jejuni) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLN A 213
VAL A 225
GLU A 302
ILE A 307
 None
 1.37A 5jncA-3ouuA:
undetectable		 5jncA-3ouuA:
20.63
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 GLN A4072
VAL A4077
GLU A3984
ILE A3983
 None
 1.21A 5jncA-3vkgA:
undetectable		 5jncA-3vkgA:
5.77
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 GLN A4072
VAL A4077
GLU A3987
ILE A3983
 None
 1.10A 5jncA-3vkgA:
undetectable		 5jncA-3vkgA:
5.77
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.
3wud GALECTIN

(Xenopus laevis) 		PF00337
(Gal-bind_lectin) 		4 GLN A 105
VAL A  77
GLU A  75
ILE A  59
 None
 1.31A 5jncA-3wudA:
undetectable		 5jncA-3wudA:
17.76
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.
4a5w COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		4 GLN A 532
VAL A 535
GLU A 564
ILE A 563
 None
 1.37A 5jncA-4a5wA:
undetectable		 5jncA-4a5wA:
10.52
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 GLN A 641
VAL A 597
GLU A 609
ILE A 608
 None
 1.33A 5jncA-4fgvA:
undetectable		 5jncA-4fgvA:
12.80
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.
4obm UNCHARACTERIZED
PROTEIN

([Eubacterium]
siraeum) 		no annotation 4 GLN A 163
VAL A 141
GLU A 144
ILE A 145
 None
 1.44A 5jncA-4obmA:
undetectable		 5jncA-4obmA:
20.42
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 GLN A 352
VAL A 356
GLU A 357
ILE A 125
 None
None
HEM  A 501 (-4.5A)
None
 1.33A 5jncA-4oqsA:
undetectable		 5jncA-4oqsA:
20.23
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.
4y66 PUTATIVE TBPIP
FAMILY PROTEIN

(Giardia
intestinalis) 		PF07106
(TBPIP) 		4 GLN B 123
VAL B 120
GLU B 119
ILE B 117
 None
 1.32A 5jncA-4y66B:
undetectable		 5jncA-4y66B:
23.97
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.
4y82 PROTEASOME SUBUNIT
BETA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 GLN M 171
VAL M 170
GLU M 174
ILE M 199
 None
 0.86A 5jncA-4y82M:
undetectable		 5jncA-4y82M:
21.33
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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		4 GLN A 185
VAL A 122
GLU A  94
ILE A  95
 None
None
PEG  A 402 ( 4.5A)
None
 1.16A 5jncA-4yt2A:
undetectable		 5jncA-4yt2A:
22.84
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		4 GLN A 298
VAL A 287
GLU A 302
ILE A 283
 None
 1.30A 5jncA-5czzA:
undetectable		 5jncA-5czzA:
12.51
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.
5e2f BETA-LACTAMASE YBXI

(Bacillus
subtilis) 		PF00905
(Transpeptidase) 		4 GLN A 175
VAL A 241
GLU A 176
ILE A  51
 None
 1.23A 5jncA-5e2fA:
undetectable		 5jncA-5e2fA:
20.85
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		4 GLN A 256
VAL A 259
GLU A 263
ILE A 282
 None
 1.26A 5jncA-5e3cA:
undetectable		 5jncA-5e3cA:
19.32
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 GLN B 532
VAL B 535
GLU B 564
ILE B 563
 None
 1.44A 5jncA-5hccB:
undetectable		 5jncA-5hccB:
16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  92
VAL A 121
GLU A 123
ILE A 141
 EZL  A 302 (-4.3A)
EZL  A 302 (-4.7A)
None
None
 0.18A 5jncA-5jn9A:
47.3		 5jncA-5jn9A:
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.
5ms9 FIBRILLIN-1

(Homo sapiens) 		PF00683
(TB)
PF07645
(EGF_CA) 		4 GLN A 284
VAL A 213
GLU A 249
ILE A 253
 None
None
CA  A 301 (-1.8A)
None
 1.49A 5jncA-5ms9A:
undetectable		 5jncA-5ms9A:
18.66
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 4 GLN A 359
VAL A 122
GLU A 149
ILE A   8
 None
 1.42A 5jncA-5obuA:
undetectable		 5jncA-5obuA:
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 4 GLN A 359
VAL A 122
GLU A 149
ILE A   8
 None
 1.46A 5jncA-5obwA:
undetectable		 5jncA-5obwA:
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 GLN A1698
VAL A1699
GLU A1701
ILE A1700
 None
 1.47A 5jncA-5t8vA:
undetectable		 5jncA-5t8vA:
10.66
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 4 GLN A 340
VAL A 339
GLU A 337
ILE A 387
 None
 1.19A 5jncA-6eoqA:
undetectable		 5jncA-6eoqA:
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.
6fml RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 4 GLN D 409
VAL D 379
GLU D 377
ILE D 405
 None
 1.26A 5jncA-6fmlD:
undetectable		 5jncA-6fmlD:
undetectable