SIMILAR PATTERNS OF AMINO ACIDS FOR 4CX7_A_H4BA600

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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		4 ARG A 106
ILE A  50
PHE A  64
GLU A  72
 None
 1.18A 4cx7A-1bwyA:
undetectable
4cx7B-1bwyA:
undetectable		 4cx7A-1bwyA:
16.24
4cx7B-1bwyA:
16.24
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.
1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1

(Homo sapiens) 		no annotation 4 SER B1889
TRP B1888
PHE B1869
GLU B1890
 None
 1.17A 4cx7A-1gzhB:
0.0
4cx7B-1gzhB:
0.0		 4cx7A-1gzhB:
22.43
4cx7B-1gzhB:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hra RETINOIC ACID
RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 MET A  73
ARG A  59
ILE A  36
PHE A  31
 None
ZN  A  81 ( 4.9A)
None
None
 1.08A 4cx7A-1hraA:
undetectable
4cx7B-1hraA:
undetectable		 4cx7A-1hraA:
9.79
4cx7B-1hraA:
9.79
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 SER A 127
ILE A 218
TRP A 128
GLU A 126
 None
 1.15A 4cx7A-1hzvA:
0.0
4cx7B-1hzvA:
0.0		 4cx7A-1hzvA:
21.57
4cx7B-1hzvA:
21.57
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		no annotation 4 SER B 100
ILE B  99
PHE B  79
GLU B 105
 None
 1.25A 4cx7A-1jmzB:
0.0
4cx7B-1jmzB:
0.0		 4cx7A-1jmzB:
21.03
4cx7B-1jmzB:
21.03
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.16A 4cx7A-1js6A:
0.4
4cx7B-1js6A:
0.3		 4cx7A-1js6A:
21.05
4cx7B-1js6A:
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER L 236
ARG L 500
PHE L 502
GLU L 339
 None
 0.78A 4cx7A-1kfuL:
0.0
4cx7B-1kfuL:
0.0		 4cx7A-1kfuL:
20.06
4cx7B-1kfuL:
20.06
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 SER A 334
MET A 336
ARG A 596
TRP A 678
 None
H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 ( 3.6A)
 0.60A 4cx7A-1lzxA:
56.7
4cx7B-1lzxA:
56.5		 4cx7A-1lzxA:
65.71
4cx7B-1lzxA:
65.71
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.
1m5y SURVIVAL PROTEIN
SURA

(Escherichia
coli) 		PF00639
(Rotamase)
PF09312
(SurA_N)
PF13616
(Rotamase_3) 		4 SER A 412
MET A 414
TRP A 413
PHE A 406
 None
 1.26A 4cx7A-1m5yA:
undetectable
4cx7B-1m5yA:
undetectable		 4cx7A-1m5yA:
21.70
4cx7B-1m5yA:
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.01A 4cx7A-1nsaA:
0.0
4cx7B-1nsaA:
0.0		 4cx7A-1nsaA:
23.04
4cx7B-1nsaA:
23.04
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.
1ogp SULFITE OXIDASE

(Arabidopsis
thaliana) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 SER A 120
ILE A 122
PHE A  48
GLU A  31
 None
None
MTQ  A1394 (-4.7A)
None
 1.20A 4cx7A-1ogpA:
undetectable
4cx7B-1ogpA:
undetectable		 4cx7A-1ogpA:
21.77
4cx7B-1ogpA:
21.77
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) 		5 SER A 112
MET A 114
ARG A 375
ILE A 456
TRP A 457
 H4B  A 901 (-4.8A)
H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 (-4.7A)
H4B  A 901 ( 3.7A)
 0.32A 4cx7A-1qw5A:
60.0
4cx7B-1qw5A:
59.9		 4cx7A-1qw5A:
85.51
4cx7B-1qw5A:
85.51
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER A  68
ILE A  69
TRP A  36
GLU A  81
 SUC  A9001 ( 2.7A)
None
None
None
 1.28A 4cx7A-1rzgA:
undetectable
4cx7B-1rzgA:
undetectable		 4cx7A-1rzgA:
20.89
4cx7B-1rzgA:
20.89
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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A   8
ARG A  21
ILE A   5
PHE A  48
 None
 1.27A 4cx7A-1t1sA:
undetectable
4cx7B-1t1sA:
undetectable		 4cx7A-1t1sA:
20.04
4cx7B-1t1sA:
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 SER A 259
ARG A 303
ILE A 256
GLU A 258
 None
 1.05A 4cx7A-1vkoA:
undetectable
4cx7B-1vkoA:
undetectable		 4cx7A-1vkoA:
20.76
4cx7B-1vkoA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		4 SER A 245
ARG A 280
ILE A 270
PHE A 132
 None
 1.12A 4cx7A-1xa0A:
undetectable
4cx7B-1xa0A:
undetectable		 4cx7A-1xa0A:
21.19
4cx7B-1xa0A:
21.19
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 0.94A 4cx7A-1zliA:
undetectable
4cx7B-1zliA:
undetectable		 4cx7A-1zliA:
21.57
4cx7B-1zliA:
21.57
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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		4 SER B 285
ILE B 314
PHE B 261
GLU B 311
 None
 1.22A 4cx7A-1zunB:
undetectable
4cx7B-1zunB:
undetectable		 4cx7A-1zunB:
22.62
4cx7B-1zunB:
22.62
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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		4 SER A  17
ILE A  22
PHE A  77
GLU A  81
 None
 1.24A 4cx7A-2arhA:
undetectable
4cx7B-2arhA:
undetectable		 4cx7A-2arhA:
17.26
4cx7B-2arhA:
17.26
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 378
ILE A 379
TRP A 376
GLU A 374
 None
 1.09A 4cx7A-2b24A:
undetectable
4cx7B-2b24A:
undetectable		 4cx7A-2b24A:
22.20
4cx7B-2b24A:
22.20
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.
2bj8 NICKEL RESPONSIVE
REGULATOR

(Pyrococcus
horikoshii) 		PF01402
(RHH_1)
PF08753
(NikR_C) 		4 SER A  31
ARG A  39
ILE A  34
GLU A  32
 None
 1.28A 4cx7A-2bj8A:
undetectable
4cx7B-2bj8A:
undetectable		 4cx7A-2bj8A:
19.20
4cx7B-2bj8A:
19.20
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.
2ezv TYPE II RESTRICTION
ENZYME SFII

(Streptomyces
fimbriatus) 		PF11487
(RestrictionSfiI) 		4 SER A 185
ARG A  84
ILE A 159
GLU A  17
 None
 1.28A 4cx7A-2ezvA:
undetectable
4cx7B-2ezvA:
undetectable		 4cx7A-2ezvA:
19.82
4cx7B-2ezvA:
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.
2g3y GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		4 SER A 193
ARG A 207
ILE A 159
PHE A 217
 None
 1.25A 4cx7A-2g3yA:
undetectable
4cx7B-2g3yA:
undetectable		 4cx7A-2g3yA:
18.78
4cx7B-2g3yA:
18.78
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.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		4 SER X 211
ILE X 212
PHE X 120
GLU X 210
 None
 1.27A 4cx7A-2h7gX:
undetectable
4cx7B-2h7gX:
undetectable		 4cx7A-2h7gX:
21.25
4cx7B-2h7gX:
21.25
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.
2hnl GLUTATHIONE
S-TRANSFERASE 1

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 SER A 148
MET A 151
PHE A 142
GLU A 147
 None
 1.11A 4cx7A-2hnlA:
undetectable
4cx7B-2hnlA:
undetectable		 4cx7A-2hnlA:
18.54
4cx7B-2hnlA:
18.54
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 577
ILE A 510
PHE A 571
GLU A 568
 None
 1.18A 4cx7A-2iujA:
undetectable
4cx7B-2iujA:
undetectable		 4cx7A-2iujA:
20.10
4cx7B-2iujA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 577
ILE A 510
TRP A 514
GLU A 568
 None
 0.83A 4cx7A-2iujA:
undetectable
4cx7B-2iujA:
undetectable		 4cx7A-2iujA:
20.10
4cx7B-2iujA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 SER A 324
ILE A 323
TRP A 309
GLU A 328
 None
 1.26A 4cx7A-2j4gA:
undetectable
4cx7B-2j4gA:
undetectable		 4cx7A-2j4gA:
21.41
4cx7B-2j4gA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 257
ILE A 248
TRP A 245
PHE A 240
 None
 1.13A 4cx7A-2jc6A:
undetectable
4cx7B-2jc6A:
undetectable		 4cx7A-2jc6A:
19.73
4cx7B-2jc6A:
19.73
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.
2jnt CHEMOSENSORY PROTEIN
CSP1

(Bombyx mori) 		PF03392
(OS-D) 		4 SER A  22
MET A  24
ILE A  13
GLU A  21
 None
 1.15A 4cx7A-2jntA:
undetectable
4cx7B-2jntA:
undetectable		 4cx7A-2jntA:
13.56
4cx7B-2jntA:
13.56
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 SER A  69
ARG A  41
ILE A  52
GLU A 105
 None
 1.26A 4cx7A-2la7A:
undetectable
4cx7B-2la7A:
undetectable		 4cx7A-2la7A:
14.39
4cx7B-2la7A:
14.39
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.
2qj8 MLR6093 PROTEIN

(Mesorhizobium
japonicum) 		PF04952
(AstE_AspA) 		4 SER A 118
ILE A 121
PHE A 109
GLU A 119
 None
 1.11A 4cx7A-2qj8A:
undetectable
4cx7B-2qj8A:
undetectable		 4cx7A-2qj8A:
21.95
4cx7B-2qj8A:
21.95
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.
2qs9 RETINOBLASTOMA-BINDI
NG PROTEIN 9

(Homo sapiens) 		PF06821
(Ser_hydrolase) 		4 SER A  53
ILE A  54
TRP A  55
GLU A  52
 None
 1.15A 4cx7A-2qs9A:
undetectable
4cx7B-2qs9A:
undetectable		 4cx7A-2qs9A:
19.54
4cx7B-2qs9A:
19.54
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.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		4 SER A 416
ARG A 649
ILE A 417
GLU A 406
 None
 1.00A 4cx7A-2r05A:
undetectable
4cx7B-2r05A:
undetectable		 4cx7A-2r05A:
20.55
4cx7B-2r05A:
20.55
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ARG A  25
ILE A  17
PHE A  55
GLU A  53
 None
None
None
BU2  A 196 (-3.2A)
 0.88A 4cx7A-2rfmA:
undetectable
4cx7B-2rfmA:
undetectable		 4cx7A-2rfmA:
18.94
4cx7B-2rfmA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		4 SER A 168
ARG A 106
ILE A  58
GLU A 136
 None
 1.23A 4cx7A-2yrfA:
undetectable
4cx7B-2yrfA:
undetectable		 4cx7A-2yrfA:
20.89
4cx7B-2yrfA:
20.89
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		4 SER A 433
MET A 437
PHE A 427
GLU A 432
 None
 1.27A 4cx7A-3anyA:
undetectable
4cx7B-3anyA:
undetectable		 4cx7A-3anyA:
23.45
4cx7B-3anyA:
23.45
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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A  85
ARG A  98
ILE A  82
PHE A 128
 None
 1.15A 4cx7A-3au9A:
undetectable
4cx7B-3au9A:
undetectable		 4cx7A-3au9A:
21.84
4cx7B-3au9A:
21.84
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.02A 4cx7A-3ckbA:
undetectable
4cx7B-3ckbA:
undetectable		 4cx7A-3ckbA:
21.74
4cx7B-3ckbA:
21.74
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 SER A 275
ARG A 252
ILE A 276
PHE A 255
 None
 1.25A 4cx7A-3cp8A:
undetectable
4cx7B-3cp8A:
undetectable		 4cx7A-3cp8A:
20.49
4cx7B-3cp8A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 241
ILE A 232
TRP A 229
PHE A 224
 None
 1.12A 4cx7A-3dfaA:
undetectable
4cx7B-3dfaA:
undetectable		 4cx7A-3dfaA:
21.17
4cx7B-3dfaA:
21.17
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) 		5 SER A 118
MET A 120
ARG A 381
ILE A 462
TRP A 463
 None
H4B  A 902 (-3.8A)
H4B  A 902 (-3.9A)
H4B  A 902 (-4.9A)
H4B  A 902 ( 3.6A)
 0.47A 4cx7A-3e7gA:
60.7
4cx7B-3e7gA:
60.5		 4cx7A-3e7gA:
100.00
4cx7B-3e7gA:
100.00
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A  53
ARG A 374
ILE A  69
GLU A  52
 None
 1.18A 4cx7A-3fj4A:
undetectable
4cx7B-3fj4A:
undetectable		 4cx7A-3fj4A:
22.50
4cx7B-3fj4A:
22.50
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 ARG A 440
ILE A 391
PHE A 353
GLU A 395
 None
 1.22A 4cx7A-3g3oA:
undetectable
4cx7B-3g3oA:
undetectable		 4cx7A-3g3oA:
20.76
4cx7B-3g3oA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd7 FUSION COMPLEX OF
CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR, RESIDUES
1193-1427 AND
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK,
RESIDUES 219-371

(Escherichia
coli;
Homo sapiens) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		4 SER A1426
ARG A1495
ILE A1427
GLU A1429
 None
 1.02A 4cx7A-3gd7A:
undetectable
4cx7B-3gd7A:
undetectable		 4cx7A-3gd7A:
23.28
4cx7B-3gd7A:
23.28
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.
3i9k ADP-RIBOSYL CYCLASE

(Aplysia
californica) 		PF02267
(Rib_hydrolayse) 		4 SER A 162
ARG A 246
ILE A 202
GLU A 200
 None
 1.11A 4cx7A-3i9kA:
undetectable
4cx7B-3i9kA:
undetectable		 4cx7A-3i9kA:
19.91
4cx7B-3i9kA:
19.91
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.
3ied HEAT SHOCK PROTEIN

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		4 SER A 210
MET A 207
ILE A 213
GLU A 211
 None
AN2  A 401 (-3.6A)
None
None
 1.10A 4cx7A-3iedA:
undetectable
4cx7B-3iedA:
undetectable		 4cx7A-3iedA:
19.54
4cx7B-3iedA:
19.54
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.
3if2 AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00155
(Aminotran_1_2) 		4 SER A 158
ARG A 415
ILE A  16
PHE A 398
 None
 1.21A 4cx7A-3if2A:
undetectable
4cx7B-3if2A:
undetectable		 4cx7A-3if2A:
21.29
4cx7B-3if2A:
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.
3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Yersinia pestis) 		PF02348
(CTP_transf_3) 		4 SER A 132
ILE A 174
PHE A 137
GLU A 135
 None
 1.21A 4cx7A-3jtjA:
undetectable
4cx7B-3jtjA:
undetectable		 4cx7A-3jtjA:
17.63
4cx7B-3jtjA:
17.63
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.
3kfw UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF07848
(PaaX)
PF08223
(PaaX_C) 		4 SER X  25
ARG X 230
ILE X  28
GLU X  26
 None
 1.17A 4cx7A-3kfwX:
undetectable
4cx7B-3kfwX:
undetectable		 4cx7A-3kfwX:
19.63
4cx7B-3kfwX:
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 171
ARG A 159
ILE A 207
PHE A 155
 None
 1.23A 4cx7A-3n0gA:
undetectable
4cx7B-3n0gA:
undetectable		 4cx7A-3n0gA:
22.05
4cx7B-3n0gA:
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 171
ARG A 159
PHE A 155
GLU A 168
 None
 1.23A 4cx7A-3n0gA:
undetectable
4cx7B-3n0gA:
undetectable		 4cx7A-3n0gA:
22.05
4cx7B-3n0gA:
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 394
TRP A 391
PHE A 388
GLU A 390
 None
None
None
GOL  A 507 (-2.5A)
 1.16A 4cx7A-3n0qA:
undetectable
4cx7B-3n0qA:
undetectable		 4cx7A-3n0qA:
21.11
4cx7B-3n0qA:
21.11
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.
3oiz ANTISIGMA-FACTOR
ANTAGONIST, STAS

(Rhodobacter
sphaeroides) 		PF01740
(STAS) 		4 SER A 474
ILE A 442
TRP A 443
GLU A 475
 None
 1.27A 4cx7A-3oizA:
undetectable
4cx7B-3oizA:
undetectable		 4cx7A-3oizA:
13.26
4cx7B-3oizA:
13.26
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.
3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens) 		PF00452
(Bcl-2) 		4 SER A 178
ILE A 181
TRP A 312
PHE A 315
 None
 1.27A 4cx7A-3pk1A:
undetectable
4cx7B-3pk1A:
undetectable		 4cx7A-3pk1A:
19.16
4cx7B-3pk1A:
19.16
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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.10A 4cx7A-3rblA:
undetectable
4cx7B-3rblA:
undetectable		 4cx7A-3rblA:
21.46
4cx7B-3rblA:
21.46
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 SER A 218
TRP A 217
PHE A 136
GLU A 219
 HY0  A 401 (-3.5A)
None
None
HY0  A 401 (-4.0A)
 1.22A 4cx7A-3w0sA:
undetectable
4cx7B-3w0sA:
undetectable		 4cx7A-3w0sA:
21.70
4cx7B-3w0sA:
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 ILE A 269
TRP A 190
PHE A 259
GLU A 179
 None
 1.14A 4cx7A-4be3A:
undetectable
4cx7B-4be3A:
undetectable		 4cx7A-4be3A:
21.10
4cx7B-4be3A:
21.10
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.
4fdf MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
C 2

(Mycobacterium
tuberculosis) 		PF01967
(MoaC) 		4 SER A  56
ARG A  70
ILE A  55
PHE A  99
 None
 1.28A 4cx7A-4fdfA:
undetectable
4cx7B-4fdfA:
undetectable		 4cx7A-4fdfA:
17.70
4cx7B-4fdfA:
17.70
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.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		4 SER A 352
ILE A 353
PHE A 368
GLU A 355
 None
 1.27A 4cx7A-4fe4A:
undetectable
4cx7B-4fe4A:
undetectable		 4cx7A-4fe4A:
22.51
4cx7B-4fe4A:
22.51
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.
4fet SPORE CORTEX-LYTIC
ENZYME PREPEPTIDE

(Bacillus
anthracis) 		no annotation 4 SER B 234
ARG B 170
ILE B 237
TRP B 236
 None
 1.17A 4cx7A-4fetB:
undetectable
4cx7B-4fetB:
undetectable		 4cx7A-4fetB:
19.35
4cx7B-4fetB:
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.16A 4cx7A-4fg8A:
undetectable
4cx7B-4fg8A:
undetectable		 4cx7A-4fg8A:
22.49
4cx7B-4fg8A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Conexibacter
woesei) 		no annotation 4 SER A 116
TRP A 125
PHE A  91
GLU A 126
 None
 1.27A 4cx7A-4gymA:
undetectable
4cx7B-4gymA:
undetectable		 4cx7A-4gymA:
16.01
4cx7B-4gymA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kuj PROTEIN KINASE,
PUTATIVE

(Entamoeba
histolytica) 		PF02816
(Alpha_kinase) 		4 SER A 247
ILE A 246
TRP A 198
GLU A 269
 None
 1.27A 4cx7A-4kujA:
undetectable
4cx7B-4kujA:
undetectable		 4cx7A-4kujA:
20.97
4cx7B-4kujA:
20.97
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.
4nfd PAIRED
IMMUNOGLOBULIN-LIKE
TYPE 2 RECEPTOR BETA

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  40
ILE A  39
PHE A  25
GLU A  98
 None
 1.27A 4cx7A-4nfdA:
undetectable
4cx7B-4nfdA:
undetectable		 4cx7A-4nfdA:
15.25
4cx7B-4nfdA:
15.25
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.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 MET A 360
ARG A 269
ILE A 387
PHE A 304
 None
 1.13A 4cx7A-4nnzA:
undetectable
4cx7B-4nnzA:
undetectable		 4cx7A-4nnzA:
23.35
4cx7B-4nnzA:
23.35
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.
4oro POLYMERASE PB2

(Influenza B
virus) 		PF00604
(Flu_PB2) 		4 SER A 407
ARG A 334
TRP A 359
PHE A 365
 None
GDP  A 501 (-4.1A)
GDP  A 501 (-3.3A)
None
 1.10A 4cx7A-4oroA:
undetectable
4cx7B-4oroA:
undetectable		 4cx7A-4oroA:
17.79
4cx7B-4oroA:
17.79
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.
4qo5 HYPOTHETICAL
MULTIHEME PROTEIN

(Ignicoccus
hospitalis) 		PF13435
(Cytochrome_C554)
PF13447
(Multi-haem_cyto) 		4 SER A 281
TRP A 278
PHE A 275
GLU A 280
 None
HEC  A 607 (-4.7A)
None
None
 1.26A 4cx7A-4qo5A:
undetectable
4cx7B-4qo5A:
undetectable		 4cx7A-4qo5A:
20.26
4cx7B-4qo5A:
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 SER A 573
ILE A 574
TRP A 570
PHE A 567
 None
 1.23A 4cx7A-4wisA:
undetectable
4cx7B-4wisA:
undetectable		 4cx7A-4wisA:
18.29
4cx7B-4wisA:
18.29
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 SER A 573
MET A 516
ILE A 574
PHE A 567
 None
 1.28A 4cx7A-4wisA:
undetectable
4cx7B-4wisA:
undetectable		 4cx7A-4wisA:
18.29
4cx7B-4wisA:
18.29
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.
4xkz VALINE-TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF08264
(Anticodon_1) 		4 SER A 851
ARG A 810
ILE A 852
GLU A 850
 None
 1.19A 4cx7A-4xkzA:
undetectable
4cx7B-4xkzA:
undetectable		 4cx7A-4xkzA:
20.92
4cx7B-4xkzA:
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.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00632
(HECT) 		4 SER A 528
ILE A 517
TRP A 563
PHE A 564
 None
 1.22A 4cx7A-4y07A:
undetectable
4cx7B-4y07A:
undetectable		 4cx7A-4y07A:
22.96
4cx7B-4y07A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A  85
ARG A  98
ILE A  82
PHE A 128
 None
 1.20A 4cx7A-4y67A:
undetectable
4cx7B-4y67A:
undetectable		 4cx7A-4y67A:
22.86
4cx7B-4y67A:
22.86
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.
4zmi TELOMERE LENGTH
REGULATOR TAZ1

(Schizosaccharomyces
pombe) 		PF08558
(TRF) 		4 SER A 171
ARG A 277
ILE A 166
GLU A 170
 None
 1.25A 4cx7A-4zmiA:
undetectable
4cx7B-4zmiA:
undetectable		 4cx7A-4zmiA:
19.55
4cx7B-4zmiA:
19.55
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.00A 4cx7A-4zxiA:
undetectable
4cx7B-4zxiA:
undetectable		 4cx7A-4zxiA:
16.19
4cx7B-4zxiA:
16.19
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.
5b7x CALMODULIN, PUTATIVE

(Entamoeba
histolytica) 		PF13405
(EF-hand_6)
PF13499
(EF-hand_7) 		4 SER A 137
MET A 135
ILE A 133
GLU A 136
 None
 1.24A 4cx7A-5b7xA:
undetectable
4cx7B-5b7xA:
undetectable		 4cx7A-5b7xA:
15.85
4cx7B-5b7xA:
15.85
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		4 SER A 407
ILE A 221
PHE A 200
GLU A 389
 None
 1.12A 4cx7A-5f7vA:
undetectable
4cx7B-5f7vA:
undetectable		 4cx7A-5f7vA:
20.13
4cx7B-5f7vA:
20.13
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 SER A  66
ILE A  67
TRP A  53
PHE A  50
 None
 1.16A 4cx7A-5hssA:
undetectable
4cx7B-5hssA:
undetectable		 4cx7A-5hssA:
18.30
4cx7B-5hssA:
18.30
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.
5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE

(Saccharomyces
cerevisiae) 		PF04752
(ChaC) 		4 SER A  81
ARG A  38
ILE A  84
GLU A  80
 None
 1.13A 4cx7A-5hwiA:
undetectable
4cx7B-5hwiA:
undetectable		 4cx7A-5hwiA:
20.19
4cx7B-5hwiA:
20.19
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 SER A 693
ARG A 754
ILE A 697
GLU A 690
 None
 1.28A 4cx7A-5im3A:
undetectable
4cx7B-5im3A:
undetectable		 4cx7A-5im3A:
19.18
4cx7B-5im3A:
19.18
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 SER A 201
TRP A 239
PHE A 249
GLU A 205
 None
 1.18A 4cx7A-5iwzA:
undetectable
4cx7B-5iwzA:
undetectable		 4cx7A-5iwzA:
20.74
4cx7B-5iwzA:
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.
5jsb INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens) 		PF00452
(Bcl-2) 		4 SER A 178
ILE A 181
TRP A 312
PHE A 315
 None
 1.28A 4cx7A-5jsbA:
undetectable
4cx7B-5jsbA:
undetectable		 4cx7A-5jsbA:
19.37
4cx7B-5jsbA:
19.37
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.
5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 SER H  70
ARG H  94
ILE H  69
TRP H  36
 None
 1.21A 4cx7A-5kelH:
undetectable
4cx7B-5kelH:
undetectable		 4cx7A-5kelH:
13.55
4cx7B-5kelH:
13.55
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 4 SER A 236
ILE A 237
PHE A 241
GLU A 239
 None
 1.25A 4cx7A-5kk5A:
undetectable
4cx7B-5kk5A:
undetectable		 4cx7A-5kk5A:
16.37
4cx7B-5kk5A:
16.37
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.08A 4cx7A-5m8tA:
undetectable
4cx7B-5m8tA:
undetectable		 4cx7A-5m8tA:
20.32
4cx7B-5m8tA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		4 SER A 430
ILE A 282
PHE A 437
GLU A 432
 None
 1.25A 4cx7A-5mq6A:
undetectable
4cx7B-5mq6A:
undetectable		 4cx7A-5mq6A:
20.85
4cx7B-5mq6A:
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		4 SER A 641
ILE A 642
TRP A 511
PHE A  50
 None
 1.22A 4cx7A-5mqoA:
undetectable
4cx7B-5mqoA:
undetectable		 4cx7A-5mqoA:
20.96
4cx7B-5mqoA:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 ARG A 249
ILE A 179
PHE A 581
GLU A 576
 None
 1.22A 4cx7A-5no8A:
undetectable
4cx7B-5no8A:
undetectable		 4cx7A-5no8A:
21.85
4cx7B-5no8A:
21.85
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 ILE A 232
TRP A 251
PHE A 247
GLU A 227
 None
 1.16A 4cx7A-5nqdA:
undetectable
4cx7B-5nqdA:
undetectable		 4cx7A-5nqdA:
10.00
4cx7B-5nqdA:
10.00
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 ARG A1115
ILE A1136
PHE A1106
GLU A1090
 None
 1.21A 4cx7A-5o51A:
undetectable
4cx7B-5o51A:
undetectable		 4cx7A-5o51A:
10.92
4cx7B-5o51A:
10.92
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ARG A 501
ILE A 535
TRP A 536
GLU A 507
 None
 1.27A 4cx7A-5ot1A:
undetectable
4cx7B-5ot1A:
undetectable		 4cx7A-5ot1A:
13.54
4cx7B-5ot1A:
13.54
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 MET A  23
ILE A 102
PHE A  28
GLU A  26
 None
 1.26A 4cx7A-5t3uA:
undetectable
4cx7B-5t3uA:
undetectable		 4cx7A-5t3uA:
17.52
4cx7B-5t3uA:
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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		4 SER A 528
ILE A 517
TRP A 563
PHE A 564
 None
 1.26A 4cx7A-5tj7A:
undetectable
4cx7B-5tj7A:
undetectable		 4cx7A-5tj7A:
21.56
4cx7B-5tj7A:
21.56
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.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		4 SER A 111
ILE A 112
PHE A 105
GLU A 110
 None
 1.18A 4cx7A-5uygA:
undetectable
4cx7B-5uygA:
undetectable		 4cx7A-5uygA:
22.49
4cx7B-5uygA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		4 SER A 273
ARG A 283
ILE A 272
GLU A 275
 None
 1.25A 4cx7A-5vslA:
undetectable
4cx7B-5vslA:
undetectable		 4cx7A-5vslA:
22.22
4cx7B-5vslA:
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 ILE A  30
TRP A  27
PHE A  63
GLU A  28
 None
 1.21A 4cx7A-5x3hA:
undetectable
4cx7B-5x3hA:
undetectable		 4cx7A-5x3hA:
22.06
4cx7B-5x3hA:
22.06
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.
5y2p -

(-) 		no annotation 4 ARG A  30
ILE A 236
PHE A 264
GLU A 262
 None
 1.12A 4cx7A-5y2pA:
undetectable
4cx7B-5y2pA:
undetectable		 4cx7A-5y2pA:
undetectable
4cx7B-5y2pA:
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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 4 ILE A   3
TRP A  87
PHE A 145
GLU A  85
 None
 0.77A 4cx7A-5yhhA:
undetectable
4cx7B-5yhhA:
undetectable		 4cx7A-5yhhA:
11.96
4cx7B-5yhhA:
11.96
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 4 SER A 420
ARG A 364
ILE A 421
GLU A 416
 None
 1.23A 4cx7A-6b3bA:
undetectable
4cx7B-6b3bA:
undetectable		 4cx7A-6b3bA:
21.87
4cx7B-6b3bA:
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.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 4 SER C 407
ARG C 334
TRP C 359
PHE C 365
 None
 1.25A 4cx7A-6f5oC:
undetectable
4cx7B-6f5oC:
undetectable		 4cx7A-6f5oC:
11.88
4cx7B-6f5oC:
11.88