SIMILAR PATTERNS OF AMINO ACIDS FOR 3JQZ_A_LQZA586_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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ARG A 273
ARG A 222
ASP A 223
ARG A 265
 None
 1.43A 3jqzA-1c30A:
0.1		 3jqzA-1c30A:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		4 ASP A 187
LYS A 190
ARG A 428
LYS A 432
 None
 1.15A 3jqzA-1tf0A:
45.1		 3jqzA-1tf0A:
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ARG A 244
ASP A  16
LYS A 245
LYS A 165
 None
 1.49A 3jqzA-1xrcA:
0.0		 3jqzA-1xrcA:
20.70
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		4 ARG A  15
ASP A 109
LYS A  26
ARG A 264
 SO4  A1001 (-3.8A)
None
None
None
 1.44A 3jqzA-2cu2A:
0.1		 3jqzA-2cu2A:
20.21
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.
2cxi PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Pyrococcus
horikoshii) 		PF03483
(B3_4)
PF03484
(B5) 		4 ARG A 329
ARG A  56
ASP A  53
LYS A  32
 None
 1.15A 3jqzA-2cxiA:
0.7		 3jqzA-2cxiA:
20.84
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ASP A 645
LYS A 662
ARG A 556
LYS A 650
 None
 1.21A 3jqzA-2eaeA:
2.2		 3jqzA-2eaeA:
21.03
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.
2nxg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Aquifex
aeolicus) 		PF00793
(DAHP_synth_1) 		4 ARG A1154
ASP A1182
LYS A1124
LYS A1041
 PEP  A1268 (-3.7A)
None
PEP  A1268 (-2.6A)
PEP  A1268 (-3.3A)
 1.44A 3jqzA-2nxgA:
0.0		 3jqzA-2nxgA:
18.88
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.
3e9a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Vibrio cholerae) 		PF00793
(DAHP_synth_1) 		4 ARG A 168
ASP A 199
LYS A 138
LYS A  55
 SO4  A 284 (-3.9A)
None
SO4  A 284 (-3.1A)
None
 1.44A 3jqzA-3e9aA:
0.0		 3jqzA-3e9aA:
19.83
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.
3ez6 PLASMID PARTITION
PROTEIN A

(Escherichia
coli) 		PF13614
(AAA_31) 		4 ARG A 145
ARG A 102
ASP A 103
ARG A 396
 None
 1.35A 3jqzA-3ez6A:
0.6		 3jqzA-3ez6A:
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.
3ez9 PARA

(Salmonella
enterica) 		PF13614
(AAA_31) 		4 ARG A 146
ARG A 103
ASP A 104
ARG A 397
 None
 1.32A 3jqzA-3ez9A:
undetectable		 3jqzA-3ez9A:
22.73
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 ARG 1 433
ASP 2  98
ARG 1 346
LYS 2 121
 None
 1.19A 3jqzA-3i9v1:
3.3		 3jqzA-3i9v1:
22.48
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ARG A 248
ASP A  18
LYS A 249
LYS A 169
 None
 1.45A 3jqzA-3imlA:
0.3		 3jqzA-3imlA:
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.
3stg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		4 ARG A 164
ASP A 195
LYS A 134
LYS A  52
 CL  A 269 ( 4.5A)
None
CL  A 270 (-3.1A)
CL  A 270 ( 4.1A)
 1.47A 3jqzA-3stgA:
undetectable		 3jqzA-3stgA:
18.94
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.
3tmq 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 2

(Burkholderia
pseudomallei) 		PF00793
(DAHP_synth_1) 		4 ARG A 166
ASP A 197
LYS A 136
LYS A  53
 NO3  A 284 (-3.9A)
None
NO3  A 284 ( 2.5A)
NO3  A 283 (-2.8A)
 1.40A 3jqzA-3tmqA:
undetectable		 3jqzA-3tmqA:
18.03
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		4 ARG A 121
ARG A  92
ARG A 372
LYS A  23
 PO4  A 502 (-3.0A)
GOL  A 503 (-3.9A)
None
PO4  A 502 (-2.9A)
 1.36A 3jqzA-3vcyA:
undetectable		 3jqzA-3vcyA:
22.04
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 ARG A 176
ASP A 375
LYS A 178
ARG A 119
 None
 1.49A 3jqzA-4dg8A:
undetectable		 3jqzA-4dg8A:
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.
4lu0 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		PF00793
(DAHP_synth_1) 		4 ARG A 174
ASP A 203
LYS A 144
LYS A  61
 None
 1.48A 3jqzA-4lu0A:
undetectable		 3jqzA-4lu0A:
19.62
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 ARG A 121
ARG A  92
ARG A 372
LYS A  23
 UD1  A 503 (-3.8A)
None
None
UD1  A 503 ( 4.5A)
 1.43A 3jqzA-4r7uA:
undetectable		 3jqzA-4r7uA:
23.32
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15

(Thermobia
domestica) 		no annotation 4 ARG A  56
ARG A  58
ASP A  50
ARG A 102
 None
 1.33A 3jqzA-5mszA:
undetectable		 3jqzA-5mszA:
6.32
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 4 ARG A 172
ASP A 201
LYS A 142
LYS A  59
 SO4  A 301 (-4.0A)
None
SO4  A 301 (-2.7A)
None
 1.40A 3jqzA-6bngA:
0.6		 3jqzA-6bngA:
7.81
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71

(Danio rerio) 		no annotation 4 ARG A 564
ARG A 611
ASP A 629
ARG A 707
 A  B   8 ( 3.1A)
C  B   6 ( 2.9A)
C  B   7 ( 2.5A)
A  B   9 ( 2.9A)
 1.47A 3jqzA-6fq3A:
undetectable		 3jqzA-6fq3A:
9.12