SIMILAR PATTERNS OF AMINO ACIDS FOR 3QWU_A_ADNA501_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.
1s68 RNA LIGASE 2

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		6 LYS A  35
ASN A  40
ARG A  55
PHE A 119
VAL A 207
LYS A 225
 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)
AMP  A 301 (-2.5A)
 1.11A 3qwuA-1s68A:
11.9		 3qwuA-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) 		8 TYR A   5
LYS A  35
ASN A  40
GLU A  99
PHE A 119
VAL A 207
LYS A 209
LYS A 225
 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)
AMP  A 301 (-2.5A)
 0.63A 3qwuA-1s68A:
11.9		 3qwuA-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) 		6 GLU A 566
LYS A 568
ARG A 589
GLU A 621
LYS A 725
LYS A 744
 None
 0.91A 3qwuA-1x9nA:
11.1		 3qwuA-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) 		6 GLU A 566
LYS A 568
GLU A 621
PHE A 660
LYS A 725
LYS A 744
 None
 0.82A 3qwuA-1x9nA:
11.1		 3qwuA-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) 		7 ILE A  61
LYS A  87
ASN A  92
ARG A 111
PHE A 209
VAL A 286
LYS A 307
 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)
ATP  A 501 (-2.7A)
 1.05A 3qwuA-1xdnA:
10.8		 3qwuA-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) 		8 TYR A  58
ILE A  61
LYS A  87
ASN A  92
GLU A 159
PHE A 209
VAL A 286
LYS A 307
 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)
ATP  A 501 (-2.7A)
 0.63A 3qwuA-1xdnA:
10.8		 3qwuA-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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		5 ILE B 314
PHE B 261
VAL B 248
VAL B 278
LYS B 283
 None
 1.22A 3qwuA-1zunB:
undetectable		 3qwuA-1zunB:
22.40
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.
2c5u RNA LIGASE

(Escherichia
virus T4) 		PF09511
(RNA_lig_T4_1) 		5 LYS A  99
GLU A 159
VAL A 206
VAL A 230
LYS A 240
 APC  A1375 (-2.7A)
APC  A1375 (-2.9A)
None
APC  A1375 (-4.5A)
APC  A1375 (-2.7A)
 0.72A 3qwuA-2c5uA:
15.6		 3qwuA-2c5uA:
22.49
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) 		7 GLU A 247
LYS A 249
ARG A 269
GLU A 299
PHE A 339
LYS A 403
LYS A 420
 AMP  A1563 (-4.0A)
AMP  A1563 (-3.5A)
AMP  A1563 (-3.4A)
AMP  A1563 ( 3.0A)
AMP  A1563 (-3.3A)
AMP  A1563 (-2.8A)
AMP  A1563 (-2.8A)
 0.81A 3qwuA-2cfmA:
10.6		 3qwuA-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
PHE A 119
VAL A 207
LYS A 225
 APK  A  35 ( 3.7A)
APK  A  35 ( 2.8A)
APK  A  35 ( 3.7A)
APK  A  35 ( 4.1A)
APK  A  35 ( 3.4A)
 0.99A 3qwuA-2hvqA:
11.8		 3qwuA-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) 		7 TYR A   5
ASN A  40
GLU A  99
PHE A 119
VAL A 207
LYS A 209
LYS A 225
 None
APK  A  35 ( 3.7A)
APK  A  35 ( 3.3A)
APK  A  35 ( 3.7A)
APK  A  35 ( 4.1A)
None
APK  A  35 ( 3.4A)
 0.58A 3qwuA-2hvqA:
11.8		 3qwuA-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
 1.33A 3qwuA-2owoA:
10.3		 3qwuA-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
 0.97A 3qwuA-2owoA:
10.3		 3qwuA-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.
2p0a SYNAPSIN-3

(Homo sapiens) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 GLU A 284
VAL A 226
VAL A 246
LYS A 248
LYS A 260
 ANP  A 707 (-3.7A)
EDO  A 601 (-3.9A)
ANP  A 707 ( 4.7A)
ANP  A 707 (-2.9A)
None
 1.32A 3qwuA-2p0aA:
3.6		 3qwuA-2p0aA:
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.
2pbe AMINOGLYCOSIDE
6-ADENYLYLTRANSFERAS
E

(Bacillus
subtilis) 		PF04439
(Adenyl_transf) 		5 TYR A  90
GLU A  53
GLU A  75
PHE A  88
VAL A  52
 None
 1.46A 3qwuA-2pbeA:
2.4		 3qwuA-2pbeA:
23.04
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) 		10 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
LYS A 241
 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)
ANP  A 401 (-2.8A)
 0.55A 3qwuA-2vugA:
43.4		 3qwuA-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.
3db2 PUTATIVE
NADPH-DEPENDENT
OXIDOREDUCTASE

(Desulfitobacterium
hafniense) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 TYR A  35
ILE A  10
GLU A  80
GLU A  58
VAL A  81
 None
 1.39A 3qwuA-3db2A:
undetectable		 3qwuA-3db2A:
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		6 GLU A 247
LYS A 249
GLU A 298
PHE A 337
LYS A 400
LYS A 417
 None
PO4  A 557 (-2.7A)
None
None
None
PO4  A 556 ( 2.5A)
 0.89A 3qwuA-3gdeA:
10.8		 3qwuA-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) 		5 GLU A 419
ARG A 441
GLU A 473
VAL A 571
LYS A 588
 AMP  A 901 (-3.7A)
None
AMP  A 901 ( 3.7A)
AMP  A 901 ( 4.8A)
AMP  A 901 (-2.9A)
 0.84A 3qwuA-3l2pA:
11.8		 3qwuA-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.
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
GLU A 473
PHE A 508
VAL A 571
LYS A 573
LYS A 588
 AMP  A 901 (-3.7A)
AMP  A 901 ( 3.7A)
AMP  A 901 (-3.3A)
AMP  A 901 ( 4.8A)
AMP  A 901 (-3.1A)
AMP  A 901 (-2.9A)
 0.72A 3qwuA-3l2pA:
11.8		 3qwuA-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.
3l2p DNA LIGASE 3

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 419
LYS A 421
ARG A 441
VAL A 571
LYS A 588
 AMP  A 901 (-3.7A)
AMP  A 901 (-2.2A)
None
AMP  A 901 ( 4.8A)
AMP  A 901 (-2.9A)
 1.04A 3qwuA-3l2pA:
11.8		 3qwuA-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.
3l2p DNA LIGASE 3

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLU A 419
LYS A 421
VAL A 571
LYS A 573
LYS A 588
 AMP  A 901 (-3.7A)
AMP  A 901 (-2.2A)
AMP  A 901 ( 4.8A)
AMP  A 901 (-3.1A)
AMP  A 901 (-2.9A)
 0.97A 3qwuA-3l2pA:
11.8		 3qwuA-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
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)
 0.55A 3qwuA-3pn1A:
10.2		 3qwuA-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) 		6 GLU A 258
LYS A 260
GLU A 310
PHE A 350
LYS A 414
LYS A 431
 None
MG  A 601 ( 4.8A)
None
None
None
None
 0.76A 3qwuA-3rr5A:
10.6		 3qwuA-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) 		5 GLU A 121
ARG A 144
GLU A 184
VAL A 298
LYS A 300
 AMP  A 616 ( 3.9A)
AMP  A 616 (-3.8A)
AMP  A 616 (-3.7A)
AMP  A 616 (-4.6A)
AMP  A 616 ( 3.9A)
 1.00A 3qwuA-3sgiA:
10.4		 3qwuA-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.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		5 GLU A 121
LYS A 123
ARG A 144
VAL A 298
LYS A 300
 AMP  A 616 ( 3.9A)
AMP  A 616 (-1.6A)
AMP  A 616 (-3.8A)
AMP  A 616 (-4.6A)
AMP  A 616 ( 3.9A)
 1.31A 3qwuA-3sgiA:
10.4		 3qwuA-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
ARG A 565
GLU A 607
VAL A 772
LYS A 774
LYS A 792
 AMP  A 900 (-4.0A)
None
AMP  A 900 (-3.0A)
AMP  A 900 ( 4.8A)
AMP  A 900 (-3.2A)
AMP  A 900 (-2.8A)
 0.82A 3qwuA-3ty9A:
10.6		 3qwuA-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
GLU A 607
PHE A 704
VAL A 772
LYS A 774
LYS A 792
 AMP  A 900 (-4.0A)
AMP  A 900 (-3.0A)
AMP  A 900 (-3.3A)
AMP  A 900 ( 4.8A)
AMP  A 900 (-3.2A)
AMP  A 900 (-2.8A)
 0.54A 3qwuA-3ty9A:
10.6		 3qwuA-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
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)
 0.95A 3qwuA-3ty9A:
10.6		 3qwuA-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)
 0.71A 3qwuA-3ty9A:
10.6		 3qwuA-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
ARG A 293
VAL A 403
LYS A 449
 ATP  A 701 (-4.2A)
ATP  A 701 (-2.1A)
SO4  A 709 ( 3.4A)
None
SO4  A 709 ( 2.8A)
 1.12A 3qwuA-3w1gA:
10.3		 3qwuA-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) 		6 GLU A 271
LYS A 273
PHE A 367
VAL A 403
LYS A 432
LYS A 449
 ATP  A 701 (-4.2A)
ATP  A 701 (-2.1A)
ATP  A 701 (-3.6A)
None
ATP  A 701 (-3.5A)
SO4  A 709 ( 2.8A)
 1.10A 3qwuA-3w1gA:
10.3		 3qwuA-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 GLU A 331
PHE A 367
VAL A 403
LYS A 432
LYS A 449
 ATP  A 701 (-3.4A)
ATP  A 701 (-3.6A)
None
ATP  A 701 (-3.5A)
SO4  A 709 ( 2.8A)
 0.81A 3qwuA-3w1gA:
10.3		 3qwuA-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) 		7 GLU A 259
LYS A 261
ARG A 281
GLU A 311
PHE A 351
LYS A 415
LYS A 432
 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)
AMP  A 601 (-3.5A)
 0.86A 3qwuA-4eq5A:
10.9		 3qwuA-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 3qwuA-4glwA:
10.5		 3qwuA-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)
 1.13A 3qwuA-4glxA:
10.1		 3qwuA-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)
 0.53A 3qwuA-4glxA:
10.1		 3qwuA-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)
 0.58A 3qwuA-4lh7A:
9.9		 3qwuA-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)
 0.94A 3qwuA-4lh7A:
9.9		 3qwuA-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
 1.11A 3qwuA-4oahA:
undetectable		 3qwuA-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
GLU B 120
PHE B 234
VAL B 297
LYS B 299
LYS B 313
 ATP  B 501 (-4.0A)
ATP  B 501 (-3.8A)
ATP  B 501 ( 2.9A)
ATP  B 501 (-3.4A)
None
ATP  B 501 (-3.5A)
ATP  B 501 (-2.4A)
 0.92A 3qwuA-4xruB:
10.4		 3qwuA-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.
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)
 1.12A 3qwuA-4xruB:
10.4		 3qwuA-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) 		6 GLU A 227
PHE A 248
VAL A 281
VAL A 315
LYS A 317
LYS A 326
 MN  A 401 ( 4.5A)
None
None
None
None
None
 0.60A 3qwuA-5covA:
13.9		 3qwuA-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) 		10 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
LYS A 246
 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)
SO4  A 501 ( 2.7A)
 0.47A 3qwuA-5d1pA:
39.9		 3qwuA-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
 0.99A 3qwuA-5fprA:
10.3		 3qwuA-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.
5vn4 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE

(Trypanosoma
brucei) 		PF00156
(Pribosyltran) 		5 ILE A  76
GLU A 171
PHE A  62
VAL A 201
VAL A 143
 None
 1.47A 3qwuA-5vn4A:
undetectable		 3qwuA-5vn4A:
21.41
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.
6gdr -

(-) 		no annotation 5 LYS A  34
GLU A  73
PHE A 133
VAL A 164
LYS A 209
 None
 0.68A 3qwuA-6gdrA:
9.8		 3qwuA-6gdrA:
undetectable