SIMILAR PATTERNS OF AMINO ACIDS FOR 3G1U_C_ADNC438_2

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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLN A 455
THR A 264
THR A  43
HIS A 429
 None
 1.42A 3g1uC-1ciyA:
undetectable		 3g1uC-1ciyA:
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.12A 3g1uC-1ddkA:
2.6		 3g1uC-1ddkA:
20.46
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		4 GLN A 310
THR A 378
HIS A 298
HIS A 313
 None
 1.48A 3g1uC-1f7cA:
undetectable		 3g1uC-1f7cA:
19.12
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.
1huj INORGANIC
PYROPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF00719
(Pyrophosphatase) 		4 THR A   1
THR A  99
HIS A 223
HIS A  30
 None
 1.46A 3g1uC-1hujA:
undetectable		 3g1uC-1hujA:
20.53
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		4 GLN A 430
THR A 480
THR A 451
HIS A 453
 None
None
None
CD  A 595 ( 3.5A)
 1.43A 3g1uC-1ii0A:
undetectable		 3g1uC-1ii0A:
23.11
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.
1kho ALPHA-TOXIN

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 GLN A  97
THR A  93
THR A 133
HIS A 126
 None
None
None
ZN  A 372 (-3.4A)
 1.17A 3g1uC-1khoA:
undetectable		 3g1uC-1khoA:
20.96
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 THR B 867
THR B 523
HIS B 574
HIS B 547
 None
 1.37A 3g1uC-1m2vB:
undetectable		 3g1uC-1m2vB:
18.02
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 139
THR A 163
HIS A 129
HIS A 258
 None
 1.32A 3g1uC-1pg5A:
5.3		 3g1uC-1pg5A:
22.65
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLN B 297
THR B 321
HIS B 260
HIS B 294
 None
 1.38A 3g1uC-1t3qB:
undetectable		 3g1uC-1t3qB:
19.52
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		4 GLN A 169
THR A 199
THR A 222
HIS A 143
 None
None
NH4  A2605 (-4.2A)
PGO  A2602 (-4.0A)
 1.13A 3g1uC-1uc4A:
undetectable		 3g1uC-1uc4A:
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 GLN A 356
THR A 396
HIS A 404
HIS A 338
 None
 1.48A 3g1uC-1xrsA:
2.1		 3g1uC-1xrsA:
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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 GLN A  56
THR A 326
HIS A  49
HIS A  53
 None
 1.19A 3g1uC-1yifA:
undetectable		 3g1uC-1yifA:
21.96
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.
1z6u NP95-LIKE RING
FINGER PROTEIN
ISOFORM B

(Homo sapiens) 		PF00097
(zf-C3HC4) 		4 GLN A 697
THR A 693
THR A 789
HIS A 698
 None
 1.50A 3g1uC-1z6uA:
undetectable		 3g1uC-1z6uA:
15.47
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLN A  11
THR A   9
THR A  22
HIS A  15
 None
 1.44A 3g1uC-2b24A:
undetectable		 3g1uC-2b24A:
20.86
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 THR A 303
THR A 281
HIS A 283
HIS A 188
 None
 1.46A 3g1uC-2d7sA:
undetectable		 3g1uC-2d7sA:
23.05
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.
2dmw SYNAPTOBREVIN-LIKE 1
VARIANT

(Homo sapiens) 		PF13774
(Longin) 		4 GLN A 120
THR A  73
HIS A  60
HIS A 124
 None
 1.41A 3g1uC-2dmwA:
undetectable		 3g1uC-2dmwA:
14.95
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.
2ej8 DCC-INTERACTING
PROTEIN 13 ALPHA

(Homo sapiens) 		PF00640
(PID) 		4 GLN A  76
THR A  75
THR A  57
HIS A  60
 None
 1.50A 3g1uC-2ej8A:
undetectable		 3g1uC-2ej8A:
19.11
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.
2g29 NITRATE TRANSPORT
PROTEIN NRTA

(Synechocystis
sp.) 		PF13379
(NMT1_2) 		4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.50A 3g1uC-2g29A:
undetectable		 3g1uC-2g29A:
22.24
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 GLN A 631
THR A 632
THR A 514
HIS A  25
 None
 1.02A 3g1uC-2iceA:
undetectable		 3g1uC-2iceA:
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.
2nsg HYPOTHETICAL PROTEIN
CGL3021

(Corynebacterium
glutamicum) 		PF11716
(MDMPI_N) 		4 THR A 137
THR A  73
HIS A  65
HIS A 122
 None
 1.40A 3g1uC-2nsgA:
undetectable		 3g1uC-2nsgA:
20.54
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.08A 3g1uC-2nvvA:
undetectable		 3g1uC-2nvvA:
22.33
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		no annotation 4 GLN X 275
THR X 277
THR X 306
HIS X 222
 None
 1.30A 3g1uC-2o26X:
undetectable		 3g1uC-2o26X:
20.79
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.
2vki 3-PHOPSHOINOSITIDE
DEPENDENT PROTEIN
KINASE 1

(Homo sapiens) 		PF14593
(PH_3) 		4 GLN A 450
THR A 479
HIS A 483
HIS A 449
 None
 1.35A 3g1uC-2vkiA:
undetectable		 3g1uC-2vkiA:
14.42
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 GLN A  97
THR A  93
THR A 133
HIS A 126
 None
None
None
CD  A1372 (-3.6A)
 1.20A 3g1uC-2wxuA:
undetectable		 3g1uC-2wxuA:
21.24
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 GLN A 161
THR A 160
HIS A 271
HIS A 182
 None
None
None
ZN  A 378 (-3.1A)
 1.49A 3g1uC-3b1bA:
undetectable		 3g1uC-3b1bA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  73
THR A  74
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.12A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 200
HIS A 344
HIS A 394
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 3.6A)
 0.20A 3g1uC-3glqA:
56.4		 3g1uC-3glqA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
THR A 156
HIS A 300
HIS A 352
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
None
ADN  A 439 ( 3.3A)
 0.35A 3g1uC-3h9uA:
63.4		 3g1uC-3h9uA:
85.35
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		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 THR B 651
THR B 417
HIS B 994
HIS B 425
 None
 1.30A 3g1uC-3hkzB:
undetectable		 3g1uC-3hkzB:
18.70
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.
3lxm ASPARTATE
CARBAMOYLTRANSFERASE

(Yersinia pestis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 145
THR A 169
HIS A 135
HIS A 266
 None
None
PG4  A 312 (-4.5A)
None
 1.24A 3g1uC-3lxmA:
10.4		 3g1uC-3lxmA:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  59
THR A  60
THR A 193
HIS A 337
HIS A 387
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.17A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.20A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.15A 3g1uC-3qr5A:
undetectable		 3g1uC-3qr5A:
19.19
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.
3ryt PLEXIN-A1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 GLN A1589
THR A1525
HIS A1653
HIS A1587
 None
 1.30A 3g1uC-3rytA:
undetectable		 3g1uC-3rytA:
20.86
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		4 GLN A 194
THR A 207
THR A 284
HIS A 297
 GOL  A 402 (-3.2A)
None
None
None
 1.46A 3g1uC-3silA:
undetectable		 3g1uC-3silA:
21.30
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 153
THR A 387
HIS A 384
HIS A 207
 None
None
None
GOL  A 400 (-4.0A)
 1.45A 3g1uC-3tjiA:
undetectable		 3g1uC-3tjiA:
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.25A 3g1uC-4cnkA:
undetectable		 3g1uC-4cnkA:
21.30
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 100
THR A  99
HIS A 376
HIS A 126
 None
 1.40A 3g1uC-4f7kA:
undetectable		 3g1uC-4f7kA:
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 153
THR A 387
HIS A 384
HIS A 207
 None
None
None
GOL  A 402 (-3.9A)
 1.41A 3g1uC-4hnlA:
undetectable		 3g1uC-4hnlA:
22.68
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 151
THR A 175
HIS A 141
HIS A 287
 None
None
UNX  A 402 ( 4.2A)
None
 1.35A 3g1uC-4iv5A:
10.4		 3g1uC-4iv5A:
24.95
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.
4j40 FIMX

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 GLN A 583
THR A 582
THR A 572
HIS A 609
 None
 1.12A 3g1uC-4j40A:
2.1		 3g1uC-4j40A:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 198
HIS A 342
HIS A 392
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.5A)
 0.20A 3g1uC-4lvcA:
57.5		 3g1uC-4lvcA:
60.17
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 GLN A 111
THR A 110
THR A  81
HIS A 120
 None
None
MRD  A 301 ( 4.2A)
MRD  A 301 ( 4.8A)
 1.27A 3g1uC-4nq1A:
undetectable		 3g1uC-4nq1A:
23.40
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		4 GLN A 125
THR A 187
HIS A 104
HIS A 124
 None
None
None
NDG  A 504 (-4.1A)
 1.11A 3g1uC-4nz5A:
undetectable		 3g1uC-4nz5A:
23.22
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.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 THR A 194
THR A 224
HIS A 249
HIS A 200
 None
 1.42A 3g1uC-4q3lA:
5.5		 3g1uC-4q3lA:
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		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 A2380
THR A2383
THR A2418
HIS A2097
 None
MG  A4404 ( 4.6A)
None
None
 1.36A 3g1uC-4rh7A:
undetectable		 3g1uC-4rh7A:
7.59
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.21A 3g1uC-4ubqA:
2.5		 3g1uC-4ubqA:
19.36
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 GLN A 167
THR A 164
THR A 176
HIS A 172
 None
 1.09A 3g1uC-4wpgA:
4.8		 3g1uC-4wpgA:
22.05
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16
LIGHT CHAIN OF HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H  99
THR H 100
THR L 101
HIS H  58
 None
 1.50A 3g1uC-4ye4H:
undetectable		 3g1uC-4ye4H:
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.
5b0v MATRIX PROTEIN VP40

(Marburg
marburgvirus) 		PF07447
(VP40) 		4 GLN A 172
THR A  62
THR A  99
HIS A  59
 None
 1.35A 3g1uC-5b0vA:
undetectable		 3g1uC-5b0vA:
20.35
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 230
THR A 227
THR A 158
HIS A  95
 None
None
None
ZN  A2001 ( 3.4A)
 1.21A 3g1uC-5b3rA:
2.9		 3g1uC-5b3rA:
19.07
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 GLN A 591
THR A 497
THR A 501
HIS A 446
 None
 1.45A 3g1uC-5dfaA:
undetectable		 3g1uC-5dfaA:
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		4 GLN A   6
THR A   5
THR A  79
HIS A 256
 None
 1.36A 3g1uC-5ffnA:
3.2		 3g1uC-5ffnA:
23.03
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.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 GLN A 154
THR A 147
THR A 166
HIS A 171
 None
 1.43A 3g1uC-5fwmA:
undetectable		 3g1uC-5fwmA:
20.69
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.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLN A 184
THR A 181
THR A 210
HIS A 169
 None
None
UAH  A 402 (-3.5A)
UAH  A 402 (-3.6A)
 1.14A 3g1uC-5irpA:
undetectable		 3g1uC-5irpA:
22.25
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.
5iuf BIFUNCTIONAL
OLIGORIBONUCLEASE
AND PAP PHOSPHATASE
NRNA

(Bacillus
subtilis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 GLN A  31
THR A  35
THR A  70
HIS A  18
 None
 1.49A 3g1uC-5iufA:
undetectable		 3g1uC-5iufA:
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 401
THR A 402
THR A 406
HIS A 367
 None
 1.44A 3g1uC-5jjqA:
4.0		 3g1uC-5jjqA:
22.91
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  10
THR A 199
HIS A 119
HIS A  64
 None
EZL  A 302 (-3.4A)
ZN  A 301 ( 3.2A)
None
 1.47A 3g1uC-5jn9A:
undetectable		 3g1uC-5jn9A:
20.27
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.
5mx9 PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-2

(Escherichia
coli) 		PF00884
(Sulfatase) 		4 GLN A 298
THR A 285
HIS A 478
HIS A 514
 None
ZN  A 602 (-2.6A)
ZN  A 601 (-3.1A)
None
 1.37A 3g1uC-5mx9A:
undetectable		 3g1uC-5mx9A:
21.93
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.
5nci LEUCINE HYDROXYLASE

(Streptomyces
muensis) 		PF05721
(PhyH) 		4 GLN A 111
THR A 227
HIS A  92
HIS A 205
 None
 1.36A 3g1uC-5nciA:
undetectable		 3g1uC-5nciA:
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.
5veh KYNURENINE
AMINOTRANSFERASE

(Aedes aegypti) 		no annotation 4 GLN A 278
THR A  74
HIS A  79
HIS A 281
 None
 1.36A 3g1uC-5vehA:
undetectable		 3g1uC-5vehA:
22.63
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.
5x5v GD

(Suid
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		4 GLN A 226
THR A 131
THR A 136
HIS A 230
 None
 1.42A 3g1uC-5x5vA:
undetectable		 3g1uC-5x5vA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 162
HIS A 306
HIS A 358
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 3.5A)
 0.22A 3g1uC-6aphA:
61.0		 3g1uC-6aphA:
64.90
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 157
THR A 153
THR A  86
HIS A  80
 None
 1.39A 3g1uC-6cc0A:
undetectable		 3g1uC-6cc0A:
11.21
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.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
THR B 165
HIS B 323
HIS B 382
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 (-3.4A)
 0.19A 3g1uC-6f3mB:
55.2		 3g1uC-6f3mB:
undetectable
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 4 GLN A 195
THR A 196
THR A 162
HIS A 188
 None
None
None
CD  A 403 ( 3.6A)
 1.47A 3g1uC-6fv4A:
2.6		 3g1uC-6fv4A:
10.87
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.
6gbn -

(-) 		no annotation 5 GLN A  60
THR A  61
THR A 160
HIS A 304
HIS A 356
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
ADN  A 501 (-3.4A)
 0.22A 3g1uC-6gbnA:
60.5		 3g1uC-6gbnA:
undetectable