SIMILAR PATTERNS OF AMINO ACIDS FOR 4V3W_B_H4BB760_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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 673
PHE A 681
GLU A 649
VAL A 667
 None
 1.31A 4v3wA-1c4kA:
undetectable
4v3wB-1c4kA:
0.0		 4v3wA-1c4kA:
19.07
4v3wB-1c4kA:
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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 TRP A 242
PHE A 239
GLU A 241
ARG A 123
 None
 1.44A 4v3wA-1dvkA:
undetectable
4v3wB-1dvkA:
1.4		 4v3wA-1dvkA:
17.18
4v3wB-1dvkA:
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.42A 4v3wA-1kh2A:
0.2
4v3wB-1kh2A:
undetectable		 4v3wA-1kh2A:
22.65
4v3wB-1kh2A:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.33A 4v3wA-1l5jA:
0.0
4v3wB-1l5jA:
undetectable		 4v3wA-1l5jA:
19.28
4v3wB-1l5jA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.21A 4v3wA-1lzxA:
62.7
4v3wB-1lzxA:
61.9		 4v3wA-1lzxA:
100.00
4v3wB-1lzxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.17A 4v3wA-1m9qA:
59.3
4v3wB-1m9qA:
58.9		 4v3wA-1m9qA:
64.72
4v3wB-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 PHE D  35
GLU D 132
VAL D  28
TRP D  31
 None
 1.40A 4v3wA-1mhzD:
0.0
4v3wB-1mhzD:
0.0		 4v3wA-1mhzD:
20.85
4v3wB-1mhzD:
20.85
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.15A 4v3wA-1mzbA:
0.1
4v3wB-1mzbA:
0.6		 4v3wA-1mzbA:
16.59
4v3wB-1mzbA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.26A 4v3wA-1qw5A:
57.9
4v3wB-1qw5A:
58.0		 4v3wA-1qw5A:
63.90
4v3wB-1qw5A:
63.90
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.
1rfe HYPOTHETICAL PROTEIN
RV2991

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 TRP A  52
PHE A  73
GLU A  50
VAL A  20
 None
 1.37A 4v3wA-1rfeA:
undetectable
4v3wB-1rfeA:
undetectable		 4v3wA-1rfeA:
17.96
4v3wB-1rfeA:
17.96
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 TRP A 110
PHE A 117
ARG A   2
VAL A  28
 None
 1.50A 4v3wA-1t1jA:
undetectable
4v3wB-1t1jA:
undetectable		 4v3wA-1t1jA:
16.38
4v3wB-1t1jA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 277
PHE A 254
GLU A 250
VAL A 122
 None
 1.47A 4v3wA-1tkiA:
undetectable
4v3wB-1tkiA:
undetectable		 4v3wA-1tkiA:
20.23
4v3wB-1tkiA:
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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 TRP A  99
TRP A  79
PHE A  97
GLU A  78
 None
 1.10A 4v3wA-1w8gA:
undetectable
4v3wB-1w8gA:
undetectable		 4v3wA-1w8gA:
20.23
4v3wB-1w8gA:
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.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 PHE B 163
GLU B  26
ARG B 156
VAL B 128
 None
 1.15A 4v3wA-1wqlB:
undetectable
4v3wB-1wqlB:
undetectable		 4v3wA-1wqlB:
19.79
4v3wB-1wqlB:
19.79
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP A 169
TRP A 237
GLU A 236
TRP A 235
 None
None
CA  A1004 (-3.6A)
None
 1.13A 4v3wA-1y4jA:
undetectable
4v3wB-1y4jA:
undetectable		 4v3wA-1y4jA:
20.79
4v3wB-1y4jA:
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 PHE A 722
GLU A 693
ARG A 708
VAL A1424
 None
 1.06A 4v3wA-2b39A:
2.2
4v3wB-2b39A:
undetectable		 4v3wA-2b39A:
13.58
4v3wB-2b39A:
13.58
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLU A 555
ARG A 586
VAL A 578
TRP A 579
 None
 1.17A 4v3wA-2fjaA:
undetectable
4v3wB-2fjaA:
undetectable		 4v3wA-2fjaA:
22.29
4v3wB-2fjaA:
22.29
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 PHE A  21
GLU A  17
ARG A 261
VAL A 443
 None
 1.18A 4v3wA-2glfA:
undetectable
4v3wB-2glfA:
undetectable		 4v3wA-2glfA:
20.82
4v3wB-2glfA:
20.82
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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP X 231
TRP X 301
GLU X 300
TRP X 299
 None
None
CA  X1016 (-3.3A)
BR  X1001 ( 4.4A)
 1.31A 4v3wA-2hi8X:
undetectable
4v3wB-2hi8X:
undetectable		 4v3wA-2hi8X:
21.29
4v3wB-2hi8X:
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.
2hqv AGR_C_4470P

(Agrobacterium
fabrum) 		PF06228
(ChuX_HutX) 		4 PHE A 178
GLU A  78
ARG A 182
VAL A 147
 None
 1.40A 4v3wA-2hqvA:
undetectable
4v3wB-2hqvA:
undetectable		 4v3wA-2hqvA:
17.72
4v3wB-2hqvA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2noz N-GLYCOSYLASE/DNA
LYASE

(Homo sapiens) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 PHE A 303
GLU A 298
VAL A 267
TRP A 272
 None
 1.13A 4v3wA-2nozA:
undetectable
4v3wB-2nozA:
undetectable		 4v3wA-2nozA:
22.30
4v3wB-2nozA:
22.30
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.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		4 TRP A 166
TRP A 236
GLU A 235
TRP A 234
 None
 1.28A 4v3wA-2q17A:
undetectable
4v3wB-2q17A:
undetectable		 4v3wA-2q17A:
19.63
4v3wB-2q17A:
19.63
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 TRP A 252
PHE A 254
GLU A 251
VAL A 245
 None
None
MRD  A1301 (-4.3A)
None
 1.41A 4v3wA-2vy0A:
undetectable
4v3wB-2vy0A:
undetectable		 4v3wA-2vy0A:
20.00
4v3wB-2vy0A:
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 266
PHE A 261
ARG A 278
VAL A 269
 None
 1.46A 4v3wA-2w4oA:
undetectable
4v3wB-2w4oA:
1.4		 4v3wA-2w4oA:
20.26
4v3wB-2w4oA:
20.26
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 PHE A 309
GLU A 305
ARG A 211
VAL A 239
 None
 1.45A 4v3wA-2ywbA:
undetectable
4v3wB-2ywbA:
undetectable		 4v3wA-2ywbA:
21.54
4v3wB-2ywbA:
21.54
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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 TRP A  66
PHE A   4
GLU A   6
VAL A  64
 None
 1.38A 4v3wA-2z11A:
undetectable
4v3wB-2z11A:
undetectable		 4v3wA-2z11A:
17.58
4v3wB-2z11A:
17.58
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.
3anw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
kodakarensis) 		PF05916
(Sld5) 		4 TRP B  30
PHE B  80
GLU B  28
VAL B  10
 None
 1.11A 4v3wA-3anwB:
undetectable
4v3wB-3anwB:
undetectable		 4v3wA-3anwB:
16.14
4v3wB-3anwB:
16.14
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 TRP A 374
GLU A 372
VAL A 314
TRP A 293
 None
EDO  A 404 ( 3.8A)
None
None
 1.50A 4v3wA-3b7fA:
undetectable
4v3wB-3b7fA:
undetectable		 4v3wA-3b7fA:
20.87
4v3wB-3b7fA:
20.87
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 TRP A 147
PHE A 117
ARG A 105
VAL A  35
 None
 1.44A 4v3wA-3bitA:
undetectable
4v3wB-3bitA:
undetectable		 4v3wA-3bitA:
23.51
4v3wB-3bitA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 TRP A  70
PHE A  88
GLU A  71
VAL A  16
 None
 1.47A 4v3wA-3ddlA:
undetectable
4v3wB-3ddlA:
undetectable		 4v3wA-3ddlA:
20.14
4v3wB-3ddlA:
20.14
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		4 TRP A 349
PHE A 352
GLU A 350
VAL A 483
 None
 1.41A 4v3wA-3djaA:
3.1
4v3wB-3djaA:
undetectable		 4v3wA-3djaA:
20.24
4v3wB-3djaA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  90
TRP A 461
PHE A 476
GLU A 479
 None
 0.23A 4v3wA-3e7gA:
57.1
4v3wB-3e7gA:
57.3		 4v3wA-3e7gA:
65.64
4v3wB-3e7gA:
65.64
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 PHE A  67
GLU A  65
ARG A  27
VAL A  56
 None
 1.42A 4v3wA-3gs3A:
undetectable
4v3wB-3gs3A:
undetectable		 4v3wA-3gs3A:
20.28
4v3wB-3gs3A:
20.28
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.41A 4v3wA-3ma6A:
undetectable
4v3wB-3ma6A:
undetectable		 4v3wA-3ma6A:
21.55
4v3wB-3ma6A:
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.
3mux PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE

(Bacillus
anthracis) 		PF07071
(KDGP_aldolase) 		4 TRP A 113
GLU A 190
ARG A 104
VAL A 153
 None
 1.28A 4v3wA-3muxA:
undetectable
4v3wB-3muxA:
undetectable		 4v3wA-3muxA:
19.61
4v3wB-3muxA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ner CYTOCHROME B5 TYPE B

(Homo sapiens) 		PF00173
(Cyt-b5) 		4 PHE A  58
GLU A  56
ARG A  68
VAL A  61
 HEM  A 201 (-4.7A)
None
None
HEM  A 201 (-4.5A)
 1.49A 4v3wA-3nerA:
undetectable
4v3wB-3nerA:
undetectable		 4v3wA-3nerA:
14.93
4v3wB-3nerA:
14.93
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 PHE A  75
GLU A  83
ARG A  64
VAL A 132
 None
None
TS5  A 620 (-2.3A)
None
 1.18A 4v3wA-3o98A:
undetectable
4v3wB-3o98A:
undetectable		 4v3wA-3o98A:
20.85
4v3wB-3o98A:
20.85
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.20A 4v3wA-3owcA:
undetectable
4v3wB-3owcA:
undetectable		 4v3wA-3owcA:
16.47
4v3wB-3owcA:
16.47
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.31A 4v3wA-3rjyA:
1.5
4v3wB-3rjyA:
1.2		 4v3wA-3rjyA:
21.27
4v3wB-3rjyA:
21.27
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.35A 4v3wA-3ti8A:
undetectable
4v3wB-3ti8A:
undetectable		 4v3wA-3ti8A:
22.64
4v3wB-3ti8A:
22.64
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.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE B 953
GLU B 951
ARG B 924
VAL B 944
 None
 1.29A 4v3wA-3tixB:
undetectable
4v3wB-3tixB:
undetectable		 4v3wA-3tixB:
21.73
4v3wB-3tixB:
21.73
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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 PHE A 311
GLU A 267
ARG A 388
VAL A 385
 None
 1.42A 4v3wA-3wa1A:
undetectable
4v3wB-3wa1A:
undetectable		 4v3wA-3wa1A:
22.22
4v3wB-3wa1A:
22.22
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 TRP A  58
TRP A 143
PHE A 158
ARG A 239
 None
 1.36A 4v3wA-4j3qA:
undetectable
4v3wB-4j3qA:
undetectable		 4v3wA-4j3qA:
20.32
4v3wB-4j3qA:
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 1.07A 4v3wA-4l37B:
undetectable
4v3wB-4l37B:
undetectable		 4v3wA-4l37B:
20.69
4v3wB-4l37B:
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.
4lmv GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 PHE A   7
GLU A  42
ARG A  29
VAL A  73
 None
None
None
FLC  A 300 (-4.1A)
 1.09A 4v3wA-4lmvA:
undetectable
4v3wB-4lmvA:
undetectable		 4v3wA-4lmvA:
21.00
4v3wB-4lmvA:
21.00
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		4 PHE A  68
GLU A 115
ARG A 125
VAL A  53
 None
 1.25A 4v3wA-4p2lA:
undetectable
4v3wB-4p2lA:
undetectable		 4v3wA-4p2lA:
21.63
4v3wB-4p2lA:
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
VAL A  79
 None
 1.44A 4v3wA-4pneA:
undetectable
4v3wB-4pneA:
undetectable		 4v3wA-4pneA:
21.36
4v3wB-4pneA:
21.36
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 TRP A 299
TRP A 361
GLU A 360
TRP A 359
 None
None
CA  A 517 (-3.9A)
None
 1.13A 4v3wA-4x8dA:
2.4
4v3wB-4x8dA:
undetectable		 4v3wA-4x8dA:
20.24
4v3wB-4x8dA:
20.24
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 TRP A 267
PHE A 268
ARG A 280
VAL A 309
 None
 1.07A 4v3wA-4xj5A:
1.9
4v3wB-4xj5A:
undetectable		 4v3wA-4xj5A:
22.45
4v3wB-4xj5A:
22.45
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.08A 4v3wA-4xj6A:
undetectable
4v3wB-4xj6A:
undetectable		 4v3wA-4xj6A:
21.06
4v3wB-4xj6A:
21.06
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.08A 4v3wA-4xj6A:
undetectable
4v3wB-4xj6A:
undetectable		 4v3wA-4xj6A:
21.06
4v3wB-4xj6A:
21.06
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.34A 4v3wA-4ylrA:
undetectable
4v3wB-4ylrA:
undetectable		 4v3wA-4ylrA:
22.81
4v3wB-4ylrA:
22.81
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.32A 4v3wA-5by3A:
undetectable
4v3wB-5by3A:
undetectable		 4v3wA-5by3A:
19.82
4v3wB-5by3A:
19.82
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 TRP A 401
PHE A 397
GLU A 402
VAL B  28
 None
 1.46A 4v3wA-5c6gA:
3.1
4v3wB-5c6gA:
undetectable		 4v3wA-5c6gA:
21.86
4v3wB-5c6gA:
21.86
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.
5foz LARVICIDAL TOXIN
PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 PHE B 311
GLU B 267
ARG B 388
VAL B 385
 None
 1.48A 4v3wA-5fozB:
undetectable
4v3wB-5fozB:
undetectable		 4v3wA-5fozB:
21.65
4v3wB-5fozB:
21.65
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		4 TRP A 179
TRP A 141
PHE A 147
GLU A 143
 None
None
None
GOL  A 402 (-2.9A)
 1.49A 4v3wA-5i2uA:
1.0
4v3wB-5i2uA:
undetectable		 4v3wA-5i2uA:
19.72
4v3wB-5i2uA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 311
TRP A 347
PHE A 290
GLU A 313
 None
 1.47A 4v3wA-5jseA:
undetectable
4v3wB-5jseA:
undetectable		 4v3wA-5jseA:
21.13
4v3wB-5jseA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 TRP A 736
PHE A 732
GLU A 560
VAL A 481
 None
 1.47A 4v3wA-5kqiA:
undetectable
4v3wB-5kqiA:
undetectable		 4v3wA-5kqiA:
20.85
4v3wB-5kqiA:
20.85
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.06A 4v3wA-5m8tA:
undetectable
4v3wB-5m8tA:
undetectable		 4v3wA-5m8tA:
20.00
4v3wB-5m8tA:
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.
5noi ROUNDABOUT HOMOLOG 2

(Homo sapiens) 		no annotation 4 PHE A 316
GLU A 336
VAL A 345
TRP A 347
 None
 1.30A 4v3wA-5noiA:
undetectable
4v3wB-5noiA:
undetectable		 4v3wA-5noiA:
19.34
4v3wB-5noiA:
19.34
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 TRP A 160
TRP A 230
GLU A 229
TRP A 228
 None
None
CA  A 407 (-3.9A)
ACT  A 405 (-3.9A)
 1.14A 4v3wA-5nyyA:
undetectable
4v3wB-5nyyA:
undetectable		 4v3wA-5nyyA:
21.71
4v3wB-5nyyA:
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 4 TRP A  58
TRP A 143
PHE A 158
ARG A 239
 None
 1.41A 4v3wA-5or4A:
undetectable
4v3wB-5or4A:
undetectable		 4v3wA-5or4A:
10.39
4v3wB-5or4A:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ta9 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF04616
(Glyco_hydro_43) 		4 TRP A 198
GLU A 207
VAL A 150
TRP A 206
 None
 1.21A 4v3wA-5ta9A:
undetectable
4v3wB-5ta9A:
undetectable		 4v3wA-5ta9A:
21.40
4v3wB-5ta9A:
21.40
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 PHE A 113
GLU A 106
ARG A 129
VAL A  65
 None
 1.19A 4v3wA-5xf7A:
undetectable
4v3wB-5xf7A:
undetectable		 4v3wA-5xf7A:
10.85
4v3wB-5xf7A:
10.85
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 GLU A 322
ARG A 331
VAL A 317
TRP A 316
 None
None
UDP  A 501 ( 4.8A)
None
 1.23A 4v3wA-6bk1A:
undetectable
4v3wB-6bk1A:
undetectable		 4v3wA-6bk1A:
13.48
4v3wB-6bk1A:
13.48
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.
6dxp -

(-) 		no annotation 4 PHE A 170
GLU A 174
ARG A 157
VAL A 152
 None
 1.31A 4v3wA-6dxpA:
undetectable
4v3wB-6dxpA:
undetectable		 4v3wA-6dxpA:
undetectable
4v3wB-6dxpA:
undetectable