SIMILAR PATTERNS OF AMINO ACIDS FOR 3QWU_B_ADNB501_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.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLU A 114
LYS A 116
GLU A 169
VAL A 286
LYS A 288
 AMP  A 700 (-3.7A)
AMP  A 700 (-1.5A)
AMP  A 700 (-3.6A)
None
AMP  A 700 ( 3.7A)
 1.07A 3qwuB-1dgsA:
10.8		 3qwuB-1dgsA:
20.72
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.
1s68 RNA LIGASE 2

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		5 LYS A  35
ASN A  40
ARG A  55
PHE A 119
VAL A 207
 AMP  A 301 (-2.8A)
AMP  A 301 (-3.9A)
AMP  A 301 (-2.7A)
AMP  A 301 (-3.7A)
AMP  A 301 (-4.1A)
 0.95A 3qwuB-1s68A:
6.6		 3qwuB-1s68A:
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.
1s68 RNA LIGASE 2

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		7 TYR A   5
LYS A  35
ASN A  40
GLU A  99
PHE A 119
VAL A 207
LYS A 209
 None
AMP  A 301 (-2.8A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.1A)
AMP  A 301 (-3.7A)
AMP  A 301 (-4.1A)
AMP  A 301 ( 4.9A)
 0.56A 3qwuB-1s68A:
6.6		 3qwuB-1s68A:
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 566
LYS A 568
ARG A 589
GLU A 621
LYS A 725
 None
 0.86A 3qwuB-1x9nA:
6.0		 3qwuB-1x9nA:
19.60
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 566
LYS A 568
GLU A 621
PHE A 660
LYS A 725
 None
 0.67A 3qwuB-1x9nA:
6.0		 3qwuB-1x9nA:
19.60
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.
1xdn RNA EDITING LIGASE
MP52

(Trypanosoma
brucei) 		PF09414
(RNA_ligase) 		6 ILE A  61
LYS A  87
ASN A  92
ARG A 111
PHE A 209
VAL A 286
 ATP  A 501 (-4.2A)
ATP  A 501 (-2.9A)
ATP  A 501 (-3.8A)
ATP  A 501 (-2.8A)
ATP  A 501 (-3.6A)
ATP  A 501 (-4.4A)
 0.94A 3qwuB-1xdnA:
11.8		 3qwuB-1xdnA:
20.05
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.
1xdn RNA EDITING LIGASE
MP52

(Trypanosoma
brucei) 		PF09414
(RNA_ligase) 		7 TYR A  58
ILE A  61
LYS A  87
ASN A  92
GLU A 159
PHE A 209
VAL A 286
 ATP  A 501 (-4.7A)
ATP  A 501 (-4.2A)
ATP  A 501 (-2.9A)
ATP  A 501 (-3.8A)
ATP  A 501 (-3.1A)
ATP  A 501 (-3.6A)
ATP  A 501 (-4.4A)
 0.62A 3qwuB-1xdnA:
11.8		 3qwuB-1xdnA:
20.05
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.
1zau DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden) 		5 GLU A 121
LYS A 123
ARG A 144
GLU A 184
LYS A 300
 AMP  A 400 (-4.3A)
AMP  A 400 (-2.7A)
AMP  A 400 ( 4.0A)
AMP  A 400 (-2.7A)
AMP  A 400 (-2.7A)
 1.20A 3qwuB-1zauA:
4.6		 3qwuB-1zauA:
22.83
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.
1zau DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden) 		5 GLU A 121
LYS A 123
GLU A 184
VAL A 298
LYS A 300
 AMP  A 400 (-4.3A)
AMP  A 400 (-2.7A)
AMP  A 400 (-2.7A)
None
AMP  A 400 (-2.7A)
 0.83A 3qwuB-1zauA:
4.6		 3qwuB-1zauA:
22.83
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		6 GLU A 247
LYS A 249
ARG A 269
GLU A 299
PHE A 339
LYS A 403
 AMP  A1563 (-4.0A)
AMP  A1563 (-3.5A)
AMP  A1563 (-3.4A)
AMP  A1563 ( 3.0A)
AMP  A1563 (-3.3A)
AMP  A1563 (-2.8A)
 0.67A 3qwuB-2cfmA:
11.5		 3qwuB-2cfmA:
21.45
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.
2hvq HYPOTHETICAL 37.6
KDA PROTEIN IN
GP24-HOC INTERGENIC
REGION

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		5 ASN A  40
ARG A  55
GLU A  99
PHE A 119
VAL A 207
 APK  A  35 ( 3.7A)
APK  A  35 ( 2.8A)
APK  A  35 ( 3.3A)
APK  A  35 ( 3.7A)
APK  A  35 ( 4.1A)
 0.91A 3qwuB-2hvqA:
13.2		 3qwuB-2hvqA:
23.85
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.
2hvq HYPOTHETICAL 37.6
KDA PROTEIN IN
GP24-HOC INTERGENIC
REGION

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		6 TYR A   5
ASN A  40
GLU A  99
PHE A 119
VAL A 207
LYS A 209
 None
APK  A  35 ( 3.7A)
APK  A  35 ( 3.3A)
APK  A  35 ( 3.7A)
APK  A  35 ( 4.1A)
None
 0.55A 3qwuB-2hvqA:
13.2		 3qwuB-2hvqA:
23.85
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLU A 113
LYS A 115
ARG A 136
GLU A 173
VAL A 288
 None
 1.18A 3qwuB-2owoA:
4.6		 3qwuB-2owoA:
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLU A 113
LYS A 115
GLU A 173
VAL A 288
LYS A 290
 None
 0.90A 3qwuB-2owoA:
4.6		 3qwuB-2owoA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vug PAB1020

(Pyrococcus
abyssi) 		PF09414
(RNA_ligase) 		9 ILE A  71
GLU A  93
LYS A  95
ASN A 100
ARG A 115
GLU A 147
PHE A 172
VAL A 200
LYS A 232
 ANP  A 401 (-4.3A)
ANP  A 401 (-4.0A)
ANP  A 401 (-3.0A)
ANP  A 401 (-3.8A)
ANP  A 401 (-3.0A)
ANP  A 401 (-2.8A)
ANP  A 401 (-3.5A)
ANP  A 401 (-4.5A)
ANP  A 401 (-2.9A)
 0.48A 3qwuB-2vugA:
43.6		 3qwuB-2vugA:
36.43
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.
2y0k PYROGLUTATMATE PORIN
OPDO

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 GLU A 336
ASN A 290
GLU A 293
VAL A 319
VAL A 362
 None
 1.45A 3qwuB-2y0kA:
undetectable		 3qwuB-2y0kA:
20.34
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 247
LYS A 249
GLU A 298
PHE A 337
LYS A 400
 None
PO4  A 557 (-2.7A)
None
None
None
 0.73A 3qwuB-3gdeA:
6.2		 3qwuB-3gdeA:
21.82
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.
3l2p DNA LIGASE 3

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		6 GLU A 419
LYS A 421
GLU A 473
PHE A 508
VAL A 571
LYS A 573
 AMP  A 901 (-3.7A)
AMP  A 901 (-2.2A)
AMP  A 901 ( 3.7A)
AMP  A 901 (-3.3A)
AMP  A 901 ( 4.8A)
AMP  A 901 (-3.1A)
 0.89A 3qwuB-3l2pA:
5.6		 3qwuB-3l2pA:
20.10
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.
3pn1 DNA LIGASE

(Haemophilus
influenzae) 		PF01653
(DNA_ligase_aden) 		5 GLU A 114
LYS A 116
ARG A 137
GLU A 174
LYS A 291
 IVH  A 319 (-3.6A)
IVH  A 319 (-3.7A)
None
IVH  A 319 (-2.9A)
IVH  A 319 (-3.0A)
 0.70A 3qwuB-3pn1A:
10.8		 3qwuB-3pn1A:
23.87
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.
3pn1 DNA LIGASE

(Haemophilus
influenzae) 		PF01653
(DNA_ligase_aden) 		5 GLU A 114
LYS A 116
GLU A 174
VAL A 289
LYS A 291
 IVH  A 319 (-3.6A)
IVH  A 319 (-3.7A)
IVH  A 319 (-2.9A)
IVH  A 319 (-4.4A)
IVH  A 319 (-3.0A)
 0.35A 3qwuB-3pn1A:
10.8		 3qwuB-3pn1A:
23.87
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.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 258
LYS A 260
GLU A 310
PHE A 350
LYS A 414
 None
MG  A 601 ( 4.8A)
None
None
None
 0.73A 3qwuB-3rr5A:
5.7		 3qwuB-3rr5A:
22.98
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.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		6 GLU A 121
LYS A 123
ARG A 144
GLU A 184
VAL A 298
LYS A 300
 AMP  A 616 ( 3.9A)
AMP  A 616 (-1.6A)
AMP  A 616 (-3.8A)
AMP  A 616 (-3.7A)
AMP  A 616 (-4.6A)
AMP  A 616 ( 3.9A)
 0.97A 3qwuB-3sgiA:
5.8		 3qwuB-3sgiA:
19.78
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.
3ty9 POLYNUCLEOTIDE
2',3'-CYCLIC
PHOSPHATE
PHOSPHODIESTERASE /
POLYNUCLEOTIDE
5'-HYDROXYL-KINASE /
POLYNUCLEOTIDE
3'-PHOSPHATASE

(Ruminiclostridium
thermocellum) 		PF16536
(PNKP-ligase_C)
PF16542
(PNKP_ligase) 		6 GLU A 529
LYS A 531
ARG A 565
GLU A 607
VAL A 772
LYS A 774
 AMP  A 900 (-4.0A)
AMP  A 900 (-1.5A)
None
AMP  A 900 (-3.0A)
AMP  A 900 ( 4.8A)
AMP  A 900 (-3.2A)
 0.87A 3qwuB-3ty9A:
10.9		 3qwuB-3ty9A:
24.04
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.
3ty9 POLYNUCLEOTIDE
2',3'-CYCLIC
PHOSPHATE
PHOSPHODIESTERASE /
POLYNUCLEOTIDE
5'-HYDROXYL-KINASE /
POLYNUCLEOTIDE
3'-PHOSPHATASE

(Ruminiclostridium
thermocellum) 		PF16536
(PNKP-ligase_C)
PF16542
(PNKP_ligase) 		6 GLU A 529
LYS A 531
GLU A 607
PHE A 704
VAL A 772
LYS A 774
 AMP  A 900 (-4.0A)
AMP  A 900 (-1.5A)
AMP  A 900 (-3.0A)
AMP  A 900 (-3.3A)
AMP  A 900 ( 4.8A)
AMP  A 900 (-3.2A)
 0.49A 3qwuB-3ty9A:
10.9		 3qwuB-3ty9A:
24.04
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 271
LYS A 273
PHE A 367
VAL A 403
LYS A 432
 ATP  A 701 (-4.2A)
ATP  A 701 (-2.1A)
ATP  A 701 (-3.6A)
None
ATP  A 701 (-3.5A)
 0.83A 3qwuB-3w1gA:
5.6		 3qwuB-3w1gA:
19.58
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 LYS A 273
GLU A 331
PHE A 367
VAL A 403
LYS A 432
 ATP  A 701 (-2.1A)
ATP  A 701 (-3.4A)
ATP  A 701 (-3.6A)
None
ATP  A 701 (-3.5A)
 0.84A 3qwuB-3w1gA:
5.6		 3qwuB-3w1gA:
19.58
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		6 GLU A 259
LYS A 261
ARG A 281
GLU A 311
PHE A 351
LYS A 415
 AMP  A 601 (-4.1A)
AMP  A 601 (-3.8A)
AMP  A 601 (-3.3A)
AMP  A 601 (-3.5A)
AMP  A 601 (-3.3A)
AMP  A 601 (-2.8A)
 0.83A 3qwuB-4eq5A:
6.3		 3qwuB-4eq5A:
23.48
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.
4glw DNA LIGASE

(Streptococcus
pneumoniae) 		PF01653
(DNA_ligase_aden) 		5 GLU A 107
LYS A 109
GLU A 164
VAL A 276
LYS A 278
 0XT  A 402 (-3.7A)
0XT  A 402 ( 4.4A)
0XT  A 402 ( 4.5A)
0XT  A 402 (-4.6A)
0XT  A 402 (-2.8A)
 0.52A 3qwuB-4glwA:
11.1		 3qwuB-4glwA:
22.82
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.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLU A 113
LYS A 115
ARG A 136
GLU A 173
VAL A 288
 0XS  A 603 (-4.0A)
0XS  A 603 (-4.3A)
None
0XS  A 603 (-3.5A)
0XS  A 603 (-4.6A)
 0.98A 3qwuB-4glxA:
4.8		 3qwuB-4glxA:
23.26
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.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLU A 113
LYS A 115
GLU A 173
VAL A 288
LYS A 290
 0XS  A 603 (-4.0A)
0XS  A 603 (-4.3A)
0XS  A 603 (-3.5A)
0XS  A 603 (-4.6A)
0XS  A 603 (-2.9A)
 0.42A 3qwuB-4glxA:
4.8		 3qwuB-4glxA:
23.26
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.
4lh7 DNA LIGASE

(Enterococcus
faecalis) 		PF01653
(DNA_ligase_aden) 		5 GLU A 118
LYS A 120
GLU A 175
VAL A 289
LYS A 291
 1X8  A 401 (-3.4A)
1X8  A 401 (-3.6A)
1X8  A 401 (-3.6A)
1X8  A 401 ( 4.3A)
1X8  A 401 (-2.7A)
 0.55A 3qwuB-4lh7A:
10.7		 3qwuB-4lh7A:
22.96
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.
4lh7 DNA LIGASE

(Enterococcus
faecalis) 		PF01653
(DNA_ligase_aden) 		5 TYR A  87
GLU A 118
LYS A 120
VAL A 289
LYS A 291
 1X8  A 401 (-4.4A)
1X8  A 401 (-3.4A)
1X8  A 401 (-3.6A)
1X8  A 401 ( 4.3A)
1X8  A 401 (-2.7A)
 1.12A 3qwuB-4lh7A:
10.7		 3qwuB-4lh7A:
22.96
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		5 ARG A 326
GLU A 437
PHE A 230
VAL A 227
VAL A 432
 None
 1.16A 3qwuB-4oahA:
undetectable		 3qwuB-4oahA:
22.44
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.
4xru RNL

(Capnocytophaga
gingivalis) 		PF16542
(PNKP_ligase) 		7 ILE B  26
GLU B  59
LYS B  61
GLU B 120
PHE B 234
VAL B 297
LYS B 299
 ATP  B 501 (-4.0A)
ATP  B 501 (-3.8A)
ATP  B 501 (-2.3A)
ATP  B 501 ( 2.9A)
ATP  B 501 (-3.4A)
None
ATP  B 501 (-3.5A)
 0.96A 3qwuB-4xruB:
10.7		 3qwuB-4xruB:
22.54
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.
5cov NAEGLERIA GRUBERI
RNA LIGASE

(Naegleria
gruberi) 		PF09414
(RNA_ligase) 		5 GLU A 227
PHE A 248
VAL A 281
VAL A 315
LYS A 317
 MN  A 401 ( 4.5A)
None
None
None
None
 0.47A 3qwuB-5covA:
15.4		 3qwuB-5covA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d1p ATP-DEPENDENT RNA
LIGASE

(Methanothermobacter
thermautotrophicus) 		PF09414
(RNA_ligase) 		9 ILE A  74
GLU A  95
ASN A 102
ARG A 118
GLU A 151
PHE A 175
VAL A 203
VAL A 234
LYS A 236
 APK  A  97 (-4.3A)
APK  A  97 ( 4.2A)
APK  A  97 ( 3.8A)
SO4  A 502 (-3.2A)
APK  A  97 ( 3.0A)
APK  A  97 ( 3.5A)
APK  A  97 ( 4.7A)
APK  A  97 ( 4.3A)
APK  A  97 ( 3.3A)
 0.39A 3qwuB-5d1pA:
40.0		 3qwuB-5d1pA:
30.10
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.
5fpr DNA LIGASE

(Staphylococcus
aureus) 		PF01653
(DNA_ligase_aden) 		5 LYS A 112
ARG A 133
GLU A 167
VAL A 281
LYS A 283
 None
None
SO4  A1311 ( 4.8A)
None
None
 0.84A 3qwuB-5fprA:
10.7		 3qwuB-5fprA:
23.71
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.
5mlc 50S RIBOSOMAL
PROTEIN L19,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01245
(Ribosomal_L19) 		5 ILE R 143
GLU R 135
ASN R 174
VAL R 131
VAL R 140
 None
None
G  C  47 ( 4.1A)
None
None
 1.34A 3qwuB-5mlcR:
undetectable		 3qwuB-5mlcR:
21.07
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.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		5 ILE A 495
GLU A 265
ARG A 490
VAL A 264
LYS A 268
 None
 1.45A 3qwuB-5u4oA:
undetectable		 3qwuB-5u4oA:
23.62