SIMILAR PATTERNS OF AMINO ACIDS FOR 4QYQ_C_3CJC607_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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 GLN A 316
ASP A 278
ARG A 349
ARG A 280
 None
 1.36A 4qyqC-1cygA:
undetectable		 4qyqC-1cygA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		6 GLN A  91
ASP A  94
HIS A  95
ARG C 239
GLU C 242
ARG C 333
 HEM  A 605 ( 3.4A)
HEM  A 605 (-2.1A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-2.9A)
 0.40A 4qyqC-1d7wA:
3.3		 4qyqC-1d7wA:
38.17
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.34A 4qyqC-1dedA:
0.0		 4qyqC-1dedA:
22.36
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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 GLN A  91
HIS A 100
GLU A 140
ARG A  90
 None
None
None
RIP  A 272 ( 3.9A)
 1.40A 4qyqC-1drkA:
undetectable		 4qyqC-1drkA:
19.76
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ASP A 343
HIS A 341
GLU A 322
ARG A 344
 None
None
None
PQQ  A 701 (-2.7A)
 1.15A 4qyqC-1flgA:
0.0		 4qyqC-1flgA:
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.36A 4qyqC-1kclA:
0.0		 4qyqC-1kclA:
21.63
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU

(Haemophilus
influenzae) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLN A  15
HIS A  16
ARG A  69
GLU A  12
 None
 1.32A 4qyqC-1kyiA:
0.4		 4qyqC-1kyiA:
21.67
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.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 GLN A 240
HIS A 239
GLU A 220
ARG A 232
 None
 1.48A 4qyqC-1qasA:
0.0		 4qyqC-1qasA:
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.
1vjv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 6

(Saccharomyces
cerevisiae) 		PF00443
(UCH) 		4 GLN A 338
ASP A 340
ARG A 361
GLU A 364
 None
 1.13A 4qyqC-1vjvA:
0.0		 4qyqC-1vjvA:
21.09
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.
2f1z UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF00917
(MATH) 		4 GLN A 297
ASP A 349
ARG A 301
GLU A 298
 None
 1.22A 4qyqC-2f1zA:
undetectable		 4qyqC-2f1zA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		6 GLN A  91
ASP A  94
HIS A  95
ARG A 239
GLU A 242
ARG A 333
 HEM  A 605 (-3.4A)
HEM  A 605 (-2.0A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
HEM  A 605 ( 2.2A)
HEM  A 605 (-2.8A)
 0.56A 4qyqC-2gjmA:
27.2		 4qyqC-2gjmA:
95.54
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.
2hjg GTP-BINDING PROTEIN
ENGA

(Bacillus
subtilis) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		4 GLN A 274
ASP A 275
ARG A 183
GLU A 244
 None
 1.38A 4qyqC-2hjgA:
undetectable		 4qyqC-2hjgA:
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.
2is5 HYPOTHETICAL PROTEIN

(Neisseria
meningitidis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		4 GLN A  80
ASP A  83
ARG A 133
ARG A 153
 None
 1.10A 4qyqC-2is5A:
undetectable		 4qyqC-2is5A:
16.21
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.
2k5i IRON TRANSPORT
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04023
(FeoA) 		4 ASP A  85
HIS A 151
GLU A 148
ARG A 142
 None
 1.36A 4qyqC-2k5iA:
undetectable		 4qyqC-2k5iA:
13.85
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.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		4 ASP A   9
ARG A   7
GLU A   4
ARG A  11
 None
 1.49A 4qyqC-3awdA:
undetectable		 4qyqC-3awdA:
18.77
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		4 GLN A  60
ASP A  58
ARG A 194
GLU A 191
 None
 1.02A 4qyqC-3bydA:
undetectable		 4qyqC-3bydA:
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.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 202
ASP A 205
HIS A 142
ARG A 149
 None
 1.40A 4qyqC-3gp0A:
0.0		 4qyqC-3gp0A:
21.22
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 GLN C 346
ASP C 345
ARG C 221
ARG C 344
 None
 1.46A 4qyqC-3j9uC:
undetectable		 4qyqC-3j9uC:
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		4 GLN A 200
HIS A 195
GLU A 231
ARG A 159
 IOD  A 349 ( 4.8A)
None
None
None
 1.44A 4qyqC-3menA:
undetectable		 4qyqC-3menA:
20.82
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 GLN A 320
ASP A 282
ARG A 353
ARG A 284
 None
 1.33A 4qyqC-4cgtA:
undetectable		 4qyqC-4cgtA:
21.73
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.
4f06 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 GLN A 145
ASP A 385
HIS A 355
ARG A 138
 None
 1.22A 4qyqC-4f06A:
undetectable		 4qyqC-4f06A:
22.10
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 GLN A 310
ASP A 272
ARG A 343
ARG A 274
 None
 1.28A 4qyqC-4jcmA:
undetectable		 4qyqC-4jcmA:
22.10
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.
4kav YHBX/YHJW/YIJP/YJDB
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00884
(Sulfatase) 		4 ASP A 512
HIS A 513
GLU A 508
ARG A 293
 None
 1.46A 4qyqC-4kavA:
undetectable		 4qyqC-4kavA:
21.37
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 ASP A 325
HIS A 323
GLU A 305
ARG A 326
 None
None
None
PQQ  A 602 (-2.7A)
 1.23A 4qyqC-4maeA:
undetectable		 4qyqC-4maeA:
21.57
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.
4nmi ECTD

(Virgibacillus
salexigens) 		PF05721
(PhyH) 		4 GLN A  99
ASP A 100
HIS A  96
GLU A 291
 None
 0.99A 4qyqC-4nmiA:
undetectable		 4qyqC-4nmiA:
19.04
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 GLN A  14
ASP A  13
HIS A 329
GLU A 340
 None
ZN  A1576 (-2.1A)
ZN  A1576 (-3.1A)
None
 1.02A 4qyqC-4upiA:
undetectable		 4qyqC-4upiA:
21.71
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 GLN A  10
ASP A   9
HIS A 327
GLU A 338
 None
ZN  A1553 (-2.2A)
ZN  A1553 (-3.2A)
None
 0.99A 4qyqC-4uplA:
undetectable		 4qyqC-4uplA:
22.17
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.
5cb2 PROTEIN SEY1

(Candida
albicans) 		PF05879
(RHD3) 		4 GLN A 572
ASP A 576
GLU A 674
ARG A 580
 None
 1.36A 4qyqC-5cb2A:
undetectable		 4qyqC-5cb2A:
22.18
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.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 4 ASP C  45
ARG C  46
GLU C  25
ARG C  42
 None
 1.30A 4qyqC-5gp4C:
0.3		 4qyqC-5gp4C:
20.65
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.
5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE

(Corynebacterium
glutamicum) 		PF01474
(DAHP_synth_2) 		4 ASP A 376
HIS A 419
ARG A 136
ARG A 392
 PEP  A 502 ( 4.8A)
None
PEP  A 502 (-2.7A)
MN  A 501 ( 4.3A)
 1.49A 4qyqC-5hucA:
undetectable		 4qyqC-5hucA:
23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLN A 257
ASP A 260
HIS A 261
ARG A 405
ARG A 499
 HEM  A 812 (-3.3A)
HEM  A 812 (-1.1A)
None
HEM  A 812 (-3.7A)
HEM  A 812 (-2.8A)
 0.38A 4qyqC-5mfaA:
16.3		 4qyqC-5mfaA:
49.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLN A 257
ASP A 260
HIS A 261
GLU A 408
ARG A 499
 HEM  A 812 (-3.3A)
HEM  A 812 (-1.1A)
None
HEM  A 812 (-4.2A)
HEM  A 812 (-2.8A)
 1.06A 4qyqC-5mfaA:
16.3		 4qyqC-5mfaA:
49.64
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 4 GLN A 196
ASP A 117
HIS A 164
ARG A 159
 None
 1.14A 4qyqC-5nnbA:
undetectable		 4qyqC-5nnbA:
9.15
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		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 A3667
ASP A3666
ARG A3620
GLU A3624
 None
 1.48A 4qyqC-5nugA:
undetectable		 4qyqC-5nugA:
8.76
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.
5oym PC4 AND
SFRS1-INTERACTING
PROTEIN

(Homo sapiens) 		no annotation 4 GLN H 353
HIS H 393
GLU H 345
ARG H 351
 None
 0.93A 4qyqC-5oymH:
undetectable		 4qyqC-5oymH:
9.48
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.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		4 GLN A 244
ASP A 245
ARG A 325
ARG A 327
 None
 1.43A 4qyqC-5uzhA:
undetectable		 4qyqC-5uzhA:
20.33
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 GLN A 257
ASP A 260
HIS A 261
ARG A 405
ARG A 499
 None
 0.58A 4qyqC-6azpA:
16.8		 4qyqC-6azpA:
11.90
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 GLN A 257
ASP A 260
HIS A 261
GLU A 408
ARG A 499
 None
 1.09A 4qyqC-6azpA:
16.8		 4qyqC-6azpA:
11.90
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.
6dex SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
1
SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
2

(Eremothecium
gossypii) 		no annotation 4 ASP B  94
HIS B  97
ARG A 131
ARG B  78
 None
 1.41A 4qyqC-6dexB:
undetectable		 4qyqC-6dexB:
9.24
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 GLN A  97
HIS A 101
ARG A 233
GLU A 236
ARG A 322
 HEM  A 604 (-3.4A)
None
HEM  A 604 (-3.1A)
HEM  A 604 (-2.2A)
HEM  A 604 (-2.4A)
 0.87A 4qyqC-6ercA:
39.0		 4qyqC-6ercA:
8.99