SIMILAR PATTERNS OF AMINO ACIDS FOR 4XDQ_A_BEZA306_0

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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ARG A  55
ASP A  36
TRP A  38
 None
 0.75A 4xdqA-1ayeA:
undetectable		 4xdqA-1ayeA:
19.35
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		3 ARG A 134
ASP A 136
TRP A 137
 None
 1.14A 4xdqA-1iylA:
undetectable		 4xdqA-1iylA:
20.00
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.
1k4j ACYL-HOMOSERINELACTO
NE SYNTHASE ESAI

(Pantoea
stewartii) 		PF00765
(Autoind_synth) 		3 ARG A  53
ASP A   6
TRP A 129
 None
 0.50A 4xdqA-1k4jA:
undetectable		 4xdqA-1k4jA:
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ARG A  55
ASP A  36
TRP A  38
 None
 0.72A 4xdqA-1kwmA:
undetectable		 4xdqA-1kwmA:
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ARG A  55
ASP A  36
TRP A  38
 None
 0.78A 4xdqA-1nsaA:
undetectable		 4xdqA-1nsaA:
19.08
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		3 ARG A 162
ASP A 343
TRP A 344
 None
NA  A1004 (-3.2A)
None
 0.35A 4xdqA-1o4zA:
19.0		 4xdqA-1o4zA:
24.50
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.
1o8p PUTATUVE
ENDO-XYLANASE

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		3 ARG A  80
ASP A 142
TRP A 143
 None
CA  A1149 (-3.4A)
None
 0.28A 4xdqA-1o8pA:
4.7		 4xdqA-1o8pA:
20.52
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.
1ofm CHONDROITINASE B

(Pedobacter
heparinus) 		PF14592
(Chondroitinas_B) 		3 ARG A 471
ASP A 468
TRP A 467
 None
 0.71A 4xdqA-1ofmA:
undetectable		 4xdqA-1ofmA:
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.
1pca PROCARBOXYPEPTIDASE
A PCPA

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ARG A  55
ASP A  36
TRP A  38
 None
 0.69A 4xdqA-1pcaA:
undetectable		 4xdqA-1pcaA:
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.
1pyt PROCARBOXYPEPTIDASE
A

(Bos taurus) 		PF02244
(Propep_M14) 		3 ARG A  55
ASP A  36
TRP A  38
 None
 0.90A 4xdqA-1pytA:
undetectable		 4xdqA-1pytA:
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.
1rtw TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE

(Pyrococcus
furiosus) 		PF03070
(TENA_THI-4) 		3 ARG A 101
ASP A  99
TRP A 100
 None
 0.98A 4xdqA-1rtwA:
undetectable		 4xdqA-1rtwA:
18.25
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.
1tyj CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		3 ARG A 100
ASP A 151
TRP A 150
 None
 1.10A 4xdqA-1tyjA:
undetectable		 4xdqA-1tyjA:
19.05
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.
1u7h ORNITHINE
CYCLODEAMINASE

(Pseudomonas
putida) 		PF02423
(OCD_Mu_crystall) 		3 ARG A 273
ASP A 270
TRP A 272
 None
 1.16A 4xdqA-1u7hA:
undetectable		 4xdqA-1u7hA:
21.64
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 ARG A  54
ASP A 168
TRP A 444
 None
 0.96A 4xdqA-1uliA:
undetectable		 4xdqA-1uliA:
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 ARG A 103
ASP A 105
TRP A 106
 None
 1.00A 4xdqA-1wn1A:
undetectable		 4xdqA-1wn1A:
21.55
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.
1wzx COG3291: FOG: PKD
REPEAT

(Ruminiclostridium
thermocellum) 		no annotation 3 ARG A  52
ASP A  40
TRP A 171
 None
 1.22A 4xdqA-1wzxA:
undetectable		 4xdqA-1wzxA:
21.09
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ARG A 256
ASP A 240
TRP A 242
 None
 0.87A 4xdqA-1zj9A:
undetectable		 4xdqA-1zj9A:
19.27
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.
2crw ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF01412
(ArfGap) 		3 ARG A  70
ASP A  75
TRP A  78
 None
 1.16A 4xdqA-2crwA:
undetectable		 4xdqA-2crwA:
19.69
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.
2gen PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		3 ARG A 191
ASP A 188
TRP A 187
 None
 0.91A 4xdqA-2genA:
undetectable		 4xdqA-2genA:
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.
2ghp U4/U6
SNRNA-ASSOCIATED
SPLICING FACTOR
PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		3 ARG A 268
ASP A 264
TRP A 120
 None
 1.17A 4xdqA-2ghpA:
undetectable		 4xdqA-2ghpA:
21.29
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		3 ARG A 591
ASP A 588
TRP A 587
 None
 1.01A 4xdqA-2i0kA:
undetectable		 4xdqA-2i0kA:
20.62
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.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Elizabethkingia
meningoseptica) 		PF01408
(GFO_IDH_MocA) 		3 ARG A 244
ASP A 425
TRP A 431
 None
 1.04A 4xdqA-2ixbA:
undetectable		 4xdqA-2ixbA:
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.
2p0a SYNAPSIN-3

(Homo sapiens) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		3 ARG A 165
ASP A  98
TRP A 104
 SO4  A 701 ( 3.9A)
SO4  A 701 ( 4.8A)
None
 1.19A 4xdqA-2p0aA:
undetectable		 4xdqA-2p0aA:
20.16
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.
2qkh GLUCOSE-DEPENDENT
INSULINOTROPIC
POLYPEPTIDE RECEPTOR

(Homo sapiens) 		PF02793
(HRM) 		3 ARG A 113
ASP A  66
TRP A  71
 None
 0.88A 4xdqA-2qkhA:
undetectable		 4xdqA-2qkhA:
18.73
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.
2v6u PTERIN-4A-CARBINOLAM
INE DEHYDRATASE

(Toxoplasma
gondii) 		PF01329
(Pterin_4a) 		3 ARG A  35
ASP A  96
TRP A  24
 None
 1.04A 4xdqA-2v6uA:
undetectable		 4xdqA-2v6uA:
13.86
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.
2ywa HYPOTHETICAL PROTEIN
TTHA0048

(Thermus
thermophilus) 		PF08780
(NTase_sub_bind) 		3 ARG A 107
ASP A  72
TRP A  75
 None
 0.95A 4xdqA-2ywaA:
undetectable		 4xdqA-2ywaA:
20.32
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		3 ARG A 297
ASP A  55
TRP A  56
 None
 1.19A 4xdqA-3a3hA:
undetectable		 4xdqA-3a3hA:
20.56
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ARG A 110
ASP A  79
TRP A  81
 None
 1.07A 4xdqA-3actA:
undetectable		 4xdqA-3actA:
16.09
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.
3alc PROTEIN (ETHANOL
REGULON
TRANSCRIPTIONAL
ACTIVATOR)

(Aspergillus
nidulans) 		PF00172
(Zn_clus) 		3 ARG A  16
ASP A  13
TRP A  53
 None
 1.12A 4xdqA-3alcA:
undetectable		 4xdqA-3alcA:
15.20
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		3 ARG A1440
ASP A1438
TRP A1439
 None
 1.11A 4xdqA-3av6A:
undetectable		 4xdqA-3av6A:
10.06
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		3 ARG A 101
ASP A  99
TRP A 100
 None
 1.06A 4xdqA-3c8zA:
undetectable		 4xdqA-3c8zA:
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG A 473
ASP A 482
TRP A 477
 None
 1.18A 4xdqA-3ctzA:
undetectable		 4xdqA-3ctzA:
18.64
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.
3d3d LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		3 ARG A  78
ASP A  75
TRP A  74
 None
 0.98A 4xdqA-3d3dA:
undetectable		 4xdqA-3d3dA:
20.60
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.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 ARG A 308
ASP A 306
TRP A 281
 None
 1.09A 4xdqA-3e82A:
undetectable		 4xdqA-3e82A:
21.70
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.
3g5b NETRIN RECEPTOR
UNC5B

(Rattus
norvegicus) 		PF00531
(Death)
PF00791
(ZU5)
PF17217
(UPA) 		3 ARG A 881
ASP A 879
TRP A 880
 None
 1.03A 4xdqA-3g5bA:
undetectable		 4xdqA-3g5bA:
19.25
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		3 ARG A 179
ASP A 177
TRP A 178
 None
 1.13A 4xdqA-3hjeA:
undetectable		 4xdqA-3hjeA:
16.03
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.
3i4i 1,3-1,4-BETA-GLUCANA
SE

(uncultured
murine large
bowel bacterium
BAC 14) 		PF00722
(Glyco_hydro_16) 		3 ARG A  80
ASP A 209
TRP A 210
 None
CA  A1001 (-3.4A)
None
 0.26A 4xdqA-3i4iA:
21.4		 4xdqA-3i4iA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iln LAMINARINASE

(Rhodothermus
marinus) 		PF00722
(Glyco_hydro_16) 		3 ARG A 210
ASP A 208
TRP A 209
 None
 1.07A 4xdqA-3ilnA:
24.5		 4xdqA-3ilnA:
30.24
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		3 ARG A  17
ASP A 224
TRP A 226
 None
 1.17A 4xdqA-3kl0A:
undetectable		 4xdqA-3kl0A:
23.90
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.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		3 ARG A  88
ASP A 132
TRP A 102
 None
 1.11A 4xdqA-3lm3A:
undetectable		 4xdqA-3lm3A:
20.04
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		3 ARG A1437
ASP A1435
TRP A1436
 None
 1.08A 4xdqA-3ptaA:
undetectable		 4xdqA-3ptaA:
14.02
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		3 ARG A 326
ASP A  85
TRP A  86
 None
 1.20A 4xdqA-3pzuA:
undetectable		 4xdqA-3pzuA:
22.85
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ARG A 110
ASP A  79
TRP A  81
 None
 1.10A 4xdqA-3qdeA:
undetectable		 4xdqA-3qdeA:
14.16
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 121
ASP A  37
TRP A 117
 None
 1.07A 4xdqA-3qldA:
undetectable		 4xdqA-3qldA:
22.08
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		3 ARG A 288
ASP A 240
TRP A 287
 None
 1.11A 4xdqA-3r9wA:
undetectable		 4xdqA-3r9wA:
23.10
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 223
ASP A 225
TRP A 226
 None
 1.00A 4xdqA-3ritA:
undetectable		 4xdqA-3ritA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		3 ARG A 127
ASP A 261
TRP A 262
 GOL  A 275 ( 3.6A)
GOL  A 276 ( 3.2A)
GOL  A 276 (-4.1A)
 0.16A 4xdqA-3rq0A:
37.5		 4xdqA-3rq0A:
50.90
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.
3sfy CRYPTOCOCCUS
NEOFORMANS PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Cryptococcus
neoformans) 		PF01239
(PPTA) 		3 ARG A 322
ASP A 319
TRP A 326
 None
 1.22A 4xdqA-3sfyA:
undetectable		 4xdqA-3sfyA:
21.87
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A  49
ASP A  39
TRP A 356
 None
 1.19A 4xdqA-3ugvA:
undetectable		 4xdqA-3ugvA:
20.80
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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ARG A 181
ASP A 178
TRP A 177
 None
NAG  A 605 (-3.3A)
None
 1.14A 4xdqA-3v9eA:
undetectable		 4xdqA-3v9eA:
17.50
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		3 ARG A 611
ASP A 552
TRP A 558
 None
 0.86A 4xdqA-3va6A:
undetectable		 4xdqA-3va6A:
15.26
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		3 ARG A 471
ASP A 468
TRP A 467
 None
 1.10A 4xdqA-3wxoA:
undetectable		 4xdqA-3wxoA:
18.04
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.
3wz1 AGARASE

(Microbulbifer
thermotolerans) 		PF00722
(Glyco_hydro_16) 		3 ARG A  63
ASP A  45
TRP A  64
 None
 1.09A 4xdqA-3wz1A:
19.1		 4xdqA-3wz1A:
27.97
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		3 ARG A 488
ASP A 481
TRP A 480
 None
 1.21A 4xdqA-3zxsA:
undetectable		 4xdqA-3zxsA:
20.30
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		3 ARG A 488
ASP A 484
TRP A 490
 None
 1.10A 4xdqA-4amfA:
undetectable		 4xdqA-4amfA:
18.57
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.
4asm BETA-AGARASE D

(Zobellia
galactanivorans) 		no annotation 3 ARG B 133
ASP B 349
TRP B 350
 None
CA  B1359 (-3.3A)
None
 0.16A 4xdqA-4asmB:
17.6		 4xdqA-4asmB:
26.81
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.
4ate BETA-PORPHYRANASE A

(Zobellia
galactanivorans) 		no annotation 3 ARG A 118
ASP A 265
TRP A 266
 None
CA  A1275 (-3.4A)
None
 0.29A 4xdqA-4ateA:
19.5		 4xdqA-4ateA:
27.89
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.
4atf BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		3 ARG A 162
ASP A 343
TRP A 344
 None
NA  A 500 (-3.4A)
None
 0.30A 4xdqA-4atfA:
18.8		 4xdqA-4atfA:
25.68
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.
4awd BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 3 ARG A 136
ASP A 309
TRP A 310
 None
CA  A1321 (-3.4A)
None
 0.22A 4xdqA-4awdA:
18.3		 4xdqA-4awdA:
24.26
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		3 ARG A 519
ASP A 517
TRP A 518
 None
 0.88A 4xdqA-4cagA:
undetectable		 4xdqA-4cagA:
18.48
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		3 ARG A 275
ASP A 314
TRP A 312
 None
 0.94A 4xdqA-4conA:
undetectable		 4xdqA-4conA:
17.52
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.
4dxw ION TRANSPORT
PROTEIN

(alpha
proteobacterium
HIMB114) 		PF00520
(Ion_trans) 		3 ARG A 162
ASP A 159
TRP A 163
 None
 1.06A 4xdqA-4dxwA:
undetectable		 4xdqA-4dxwA:
22.34
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.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2) 		3 ARG A 343
ASP A 341
TRP A 342
 None
 0.95A 4xdqA-4gw9A:
undetectable		 4xdqA-4gw9A:
17.66
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.
4iul EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02854
(MIF4G) 		3 ARG A 305
ASP A 266
TRP A 309
 None
 1.11A 4xdqA-4iulA:
undetectable		 4xdqA-4iulA:
18.60
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		3 ARG A  54
ASP A  83
TRP A  41
 None
 1.14A 4xdqA-4j5tA:
undetectable		 4xdqA-4j5tA:
15.42
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.
4m7f FIBRINOGEN C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 ARG A 303
ASP A 300
TRP A 299
 None
 1.13A 4xdqA-4m7fA:
undetectable		 4xdqA-4m7fA:
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.
4oc8 RESTRICTION
ENDONUCLEASE ASPBHI

(Azoarcus sp.
BH72) 		PF04471
(Mrr_cat) 		3 ARG A 324
ASP A 282
TRP A 276
 None
 0.75A 4xdqA-4oc8A:
undetectable		 4xdqA-4oc8A:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pq9 BETA-1,3-GLUCANASE

(Mycobacterium
marinum) 		PF00722
(Glyco_hydro_16) 		3 ARG A 119
ASP A 253
TRP A 254
 None
MG  A 301 (-3.1A)
None
 0.17A 4xdqA-4pq9A:
37.1		 4xdqA-4pq9A:
56.88
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.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ARG A  66
ASP A  51
TRP A  53
 None
 0.84A 4xdqA-4uf4A:
undetectable		 4xdqA-4uf4A:
21.28
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.
4wmo XEEL PROTEIN

(Xenopus laevis) 		no annotation 3 ARG F 128
ASP F 162
TRP F 129
 None
CA  F 402 (-2.1A)
None
 1.09A 4xdqA-4wmoF:
undetectable		 4xdqA-4wmoF:
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.
4wmy INTELECTIN-1

(Homo sapiens) 		no annotation 3 ARG A  99
ASP A 133
TRP A 100
 None
CA  A 401 (-2.1A)
None
 1.11A 4xdqA-4wmyA:
undetectable		 4xdqA-4wmyA:
21.66
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		3 ARG A1437
ASP A1435
TRP A1436
 None
 1.07A 4xdqA-4wxxA:
undetectable		 4xdqA-4wxxA:
11.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
thermoresistibile) 		PF00722
(Glyco_hydro_16) 		3 ARG A 117
ASP A 254
TRP A 255
 BEZ  A 306 (-3.5A)
CD  A 302 ( 2.3A)
BEZ  A 306 (-4.2A)
 0.00A 4xdqA-4xdqA:
45.5		 4xdqA-4xdqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		3 ARG A 136
ASP A 270
TRP A 271
 None
MG  A 301 (-3.1A)
None
 0.22A 4xdqA-4xxpA:
34.0		 4xdqA-4xxpA:
58.80
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		3 ARG A1216
ASP A1261
TRP A1263
 None
 0.97A 4xdqA-4zhjA:
undetectable		 4xdqA-4zhjA:
10.50
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) 		3 ARG A  18
ASP A 225
TRP A 227
 None
 1.17A 4xdqA-5cxpA:
undetectable		 4xdqA-5cxpA:
21.05
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.
5czl GLUCANASE

(Raoultella
ornithinolytica) 		PF01270
(Glyco_hydro_8) 		3 ARG A  25
ASP A  23
TRP A  62
 None
 1.13A 4xdqA-5czlA:
undetectable		 4xdqA-5czlA:
22.16
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.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 ARG A 365
ASP A 103
TRP A 104
 GOL  A 628 (-3.9A)
EDO  A 604 ( 3.5A)
None
 1.22A 4xdqA-5ecuA:
undetectable		 4xdqA-5ecuA:
19.24
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		3 ARG A 275
ASP A 290
TRP A 294
 None
 1.04A 4xdqA-5ey7A:
undetectable		 4xdqA-5ey7A:
18.92
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.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 ARG A 367
ASP A 107
TRP A 108
 None
 1.22A 4xdqA-5fipA:
undetectable		 4xdqA-5fipA:
21.33
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.
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas sp.) 		PF16670
(PI-PLC-C1) 		3 ARG A 131
ASP A  53
TRP A  66
 None
 1.02A 4xdqA-5fyrA:
undetectable		 4xdqA-5fyrA:
20.74
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		3 ARG A 325
ASP A 246
TRP A 244
 None
 0.86A 4xdqA-5gooA:
undetectable		 4xdqA-5gooA:
20.92
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		3 ARG A1440
ASP A1438
TRP A1439
 None
 1.02A 4xdqA-5gutA:
undetectable		 4xdqA-5gutA:
15.30
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.
5gy3 GLUCANASE

(Klebsiella
pneumoniae) 		PF01270
(Glyco_hydro_8) 		3 ARG A  40
ASP A  38
TRP A  77
 None
 1.10A 4xdqA-5gy3A:
undetectable		 4xdqA-5gy3A:
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 3 ARG A 123
ASP A  82
TRP A 275
 None
 1.22A 4xdqA-5h3kA:
undetectable		 4xdqA-5h3kA:
17.24
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.
5ikk HISTONE DEACETYLASE
CLR3

(Schizosaccharomyces
pombe) 		PF00850
(Hist_deacetyl)
PF09757
(Arb2) 		3 ARG A 591
ASP A 561
TRP A 560
 None
 1.22A 4xdqA-5ikkA:
undetectable		 4xdqA-5ikkA:
18.12
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2

(Caenorhabditis
elegans) 		PF03828
(PAP_assoc) 		3 ARG A 692
ASP A 690
TRP A 691
 None
 1.05A 4xdqA-5jnbA:
undetectable		 4xdqA-5jnbA:
20.74
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.
5ju9 BETA-1,4-MANNANASE

(Streptomyces
sp. NRRL
B-24361) 		no annotation 3 ARG A  77
ASP A  62
TRP A  73
 None
 1.10A 4xdqA-5ju9A:
undetectable		 4xdqA-5ju9A:
21.37
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		3 ARG K   9
ASP K 146
TRP K 145
 None
 0.93A 4xdqA-5l5wK:
undetectable		 4xdqA-5l5wK:
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.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		3 ARG A 121
ASP A  67
TRP A  72
 None
 0.95A 4xdqA-5nx2A:
undetectable		 4xdqA-5nx2A:
17.18
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.
5otu GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		no annotation 3 ARG A 121
ASP A  67
TRP A  72
 None
 0.88A 4xdqA-5otuA:
undetectable		 4xdqA-5otuA:
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.
5ovy PUTATIVE
TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Mycobacteroides
abscessus) 		no annotation 3 ARG B 179
ASP B 176
TRP B 178
 None
 1.19A 4xdqA-5ovyB:
undetectable		 4xdqA-5ovyB:
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.
5sxg DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		no annotation 3 ARG A 351
ASP A 346
TRP A 345
 None
 0.93A 4xdqA-5sxgA:
undetectable		 4xdqA-5sxgA:
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.
5x06 DNAA REGULATORY
INACTIVATOR HDA

(Escherichia
coli) 		no annotation 3 ARG E  82
ASP E 110
TRP E 113
 None
 0.76A 4xdqA-5x06E:
undetectable		 4xdqA-5x06E:
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.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae) 		PF00514
(Arm) 		3 ARG A 466
ASP A 459
TRP A 458
 None
 0.96A 4xdqA-5xjgA:
undetectable		 4xdqA-5xjgA:
19.10
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.
5xu5 ENDO-1,4-BETA-MANNAN
ASE

(Rhizopus
microsporus) 		no annotation 3 ARG B  66
ASP B  51
TRP B  62
 None
 1.04A 4xdqA-5xu5B:
undetectable		 4xdqA-5xu5B:
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.
6ckv BCL-2-RELATED
OVARIAN KILLER
PROTEIN

(Homo sapiens) 		no annotation 3 ARG A 168
ASP A 173
TRP A 120
 None
 1.19A 4xdqA-6ckvA:
undetectable		 4xdqA-6ckvA:
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 3 ARG A  35
ASP A  32
TRP A  31
 None
 1.07A 4xdqA-6eoqA:
undetectable		 4xdqA-6eoqA:
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.
6f1s CGLIIR PROTEIN

(Corynebacterium
glutamicum) 		no annotation 3 ARG A 593
ASP A 498
TRP A 615
 FMT  A 701 ( 4.7A)
None
None
 1.17A 4xdqA-6f1sA:
undetectable		 4xdqA-6f1sA:
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.
6f49 -

(-) 		no annotation 3 ARG A 250
ASP A 248
TRP A 249
 None
 1.14A 4xdqA-6f49A:
undetectable		 4xdqA-6f49A:
undetectable