SIMILAR PATTERNS OF AMINO ACIDS FOR 2DQY_A_CHDA1

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.
1a4s BETAINE ALDEHYDE
DEHYDROGENASE

(Gadus morhua) 		PF00171
(Aldedh) 		4 TRP A 165
GLY A 220
LYS A 189
LEU A 163
 None
 1.21A 2dqyA-1a4sA:
1.8		 2dqyA-1a4sA:
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 TRP A 549
LYS A 109
LEU A 108
PRO A 550
 None
 1.44A 2dqyA-1ogyA:
0.0		 2dqyA-1ogyA:
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 TRP A 181
GLY A 165
LEU A 212
PRO A 183
 None
 1.13A 2dqyA-1ufaA:
0.9		 2dqyA-1ufaA:
23.21
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 GLY A1043
LYS A1046
LEU A 796
PRO A 756
 None
 1.04A 2dqyA-2c3oA:
2.8		 2dqyA-2c3oA:
19.28
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.
2ggj N-ACYLAMINO ACID
RACEMASE

(Deinococcus
radiodurans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TRP A 118
GLY A  50
LEU A 126
PRO A  90
 None
 1.24A 2dqyA-2ggjA:
1.6		 2dqyA-2ggjA:
21.36
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		4 TRP A  81
GLY A  67
LEU A  74
PRO A 404
 None
 0.98A 2dqyA-2pyjA:
undetectable		 2dqyA-2pyjA:
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.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		4 TRP A 191
GLY A 184
LEU A 265
PRO A 117
 SO4  A 910 (-4.1A)
None
HEM  A 500 ( 4.6A)
None
 1.41A 2dqyA-2r79A:
0.4		 2dqyA-2r79A:
19.93
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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		4 GLY A 159
LYS A 248
LEU A 243
PRO A  64
 None
 1.15A 2dqyA-3e15A:
0.0		 2dqyA-3e15A:
19.55
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		4 GLY A 268
LYS A 249
LEU A 251
PRO A 413
 None
 1.28A 2dqyA-3javA:
0.0		 2dqyA-3javA:
12.15
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 TRP A 361
GLY A 190
LYS A 185
PRO A 147
 None
 1.48A 2dqyA-3k8zA:
1.0		 2dqyA-3k8zA:
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.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		4 TRP A 477
GLY A 438
LYS A 444
LEU A 479
 None
 1.41A 2dqyA-3l6yA:
undetectable		 2dqyA-3l6yA:
21.98
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.
3ndy ENDOGLUCANASE D

(Clostridium
cellulovorans) 		PF00150
(Cellulase) 		4 TRP A 244
GLY A 240
LYS A 281
PRO A 231
 None
 1.33A 2dqyA-3ndyA:
0.6		 2dqyA-3ndyA:
19.20
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		4 TRP A 682
GLY A 599
LYS A 621
LEU A 663
 None
NDP  A 802 (-3.7A)
NDP  A 802 (-2.5A)
None
 0.99A 2dqyA-3slkA:
3.1		 2dqyA-3slkA:
22.70
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 GLY A3020
LYS A3022
LEU A3014
PRO A3149
 ADP  A9004 (-3.6A)
ADP  A9004 (-3.4A)
None
None
 1.31A 2dqyA-3vkgA:
undetectable		 2dqyA-3vkgA:
9.65
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.
4aqq L2 PROTEIN III
(PENTON BASE)

(Human
mastadenovirus
B) 		PF01686
(Adeno_Penton_B) 		4 TRP A 228
GLY A 238
LEU A 226
PRO A 293
 None
 1.20A 2dqyA-4aqqA:
undetectable		 2dqyA-4aqqA:
21.01
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.
4cs6 AMINOGLYCOSIDE
ADENYLTRANSFERASE

(Salmonella
enterica) 		PF01909
(NTP_transf_2)
PF13427
(DUF4111) 		4 TRP A 194
GLY A 200
LEU A 166
PRO A 258
 None
 1.34A 2dqyA-4cs6A:
undetectable		 2dqyA-4cs6A:
20.44
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.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		4 GLY A 262
LYS A 221
LEU A 279
PRO A 269
 None
 1.44A 2dqyA-4p53A:
2.2		 2dqyA-4p53A:
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 TRP A 337
GLY A 149
LEU A 180
PRO A 336
 None
 1.21A 2dqyA-5ce9A:
undetectable		 2dqyA-5ce9A:
20.18
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 TRP A 263
GLY A 235
LYS A 283
LEU A 272
 P6G  A 622 (-3.5A)
None
None
None
 1.50A 2dqyA-5cxpA:
undetectable		 2dqyA-5cxpA:
21.14
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 613
GLY A 649
LYS A 647
LEU A 629
 None
 1.49A 2dqyA-5djwA:
undetectable		 2dqyA-5djwA:
21.62
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.
5e59 FRNE PROTEIN

(Deinococcus
radiodurans) 		PF01323
(DSBA) 		4 TRP A  24
LYS A  73
LEU A  70
PRO A  23
 None
 1.40A 2dqyA-5e59A:
undetectable		 2dqyA-5e59A:
19.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 TRP A 339
GLY A 352
LYS A 395
LEU A 399
PRO A 442
 None
 1.08A 2dqyA-5fv4A:
66.4		 2dqyA-5fv4A:
79.37
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.
5i8k HHH1 FAB HEAVY CHAIN
HHH1 FAB LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 TRP H  47
GLY L 102
LEU L  94
PRO H  98
 None
 1.50A 2dqyA-5i8kH:
undetectable		 2dqyA-5i8kH:
17.04
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.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 GLY A 453
LYS A 456
LEU A 458
PRO A 339
 None
 0.96A 2dqyA-5jvkA:
0.3		 2dqyA-5jvkA:
21.95
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 TRP A 221
GLY A 212
LEU A 229
PRO A 220
 None
 1.00A 2dqyA-5oe5A:
undetectable		 2dqyA-5oe5A:
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 GLY 5 419
LYS 5 422
LEU 5 414
PRO 5 525
 None
 1.42A 2dqyA-5udb5:
undetectable		 2dqyA-5udb5:
22.01
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.
5wxl RIBOSOME BIOGENESIS
PROTEIN RPF2
REGULATOR OF
RIBOSOME
BIOSYNTHESIS

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF04427
(Brix)
PF04939
(RRS1) 		4 GLY A 167
LYS A 138
LEU B  26
PRO B  95
 None
 1.42A 2dqyA-5wxlA:
undetectable		 2dqyA-5wxlA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TRP B 512
GLY B 692
LEU B 630
PRO A 786
 None
 1.26A 2dqyA-5xogB:
undetectable		 2dqyA-5xogB:
18.75
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 4 TRP A 393
GLY A 307
LYS A 330
LEU A 374
 None
NAP  A 501 (-3.6A)
NAP  A 501 (-2.9A)
None
 1.06A 2dqyA-5xwwA:
3.8		 2dqyA-5xwwA:
undetectable