SIMILAR PATTERNS OF AMINO ACIDS FOR 1P6K_B_H4BB761

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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.32A 1p6kA-1flgA:
0.0
1p6kB-1flgA:
0.0		 1p6kA-1flgA:
20.03
1p6kB-1flgA:
20.03
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.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 258
PHE A 211
MET A 268
VAL A 177
 None
HSO  A 183 ( 3.5A)
None
None
 1.48A 1p6kA-1h3jA:
0.0
1p6kB-1h3jA:
0.0		 1p6kA-1h3jA:
23.20
1p6kB-1h3jA:
23.20
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.42A 1p6kA-1kexA:
undetectable
1p6kB-1kexA:
undetectable		 1p6kA-1kexA:
16.83
1p6kB-1kexA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.31A 1p6kA-1kh2A:
0.6
1p6kB-1kh2A:
0.0		 1p6kA-1kh2A:
22.65
1p6kB-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.
1knb ADENOVIRUS TYPE 5
FIBER PROTEIN

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob) 		4 TRP A 558
PHE A 568
GLU A 566
VAL A 530
 None
 1.50A 1p6kA-1knbA:
0.0
1p6kB-1knbA:
0.0		 1p6kA-1knbA:
18.93
1p6kB-1knbA:
18.93
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.
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
 1.34A 1p6kA-1l5jA:
0.0
1p6kB-1l5jA:
0.0		 1p6kA-1l5jA:
19.00
1p6kB-1l5jA:
19.00
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 MET A 336
ARG A 596
VAL A 677
TRP A 678
 H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.48A 1p6kA-1lzxA:
64.2
1p6kB-1lzxA:
62.7		 1p6kA-1lzxA:
99.76
1p6kB-1lzxA:
99.76
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 PHE D  35
GLU D 132
VAL D  28
TRP D  31
 None
 1.32A 1p6kA-1mhzD:
0.0
1p6kB-1mhzD:
0.0		 1p6kA-1mhzD:
20.89
1p6kB-1mhzD:
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.06A 1p6kA-1mzbA:
0.1
1p6kB-1mzbA:
0.4		 1p6kA-1mzbA:
16.63
1p6kB-1mzbA:
16.63
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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 0.81A 1p6kA-1pduA:
0.8
1p6kB-1pduA:
undetectable		 1p6kA-1pduA:
19.29
1p6kB-1pduA:
19.29
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 TRP A 110
PHE A 117
ARG A   2
VAL A  28
 None
 1.50A 1p6kA-1t1jA:
undetectable
1p6kB-1t1jA:
undetectable		 1p6kA-1t1jA:
16.38
1p6kB-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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 TRP A 162
PHE A 265
GLU A 161
VAL A 221
 None
 1.46A 1p6kA-1vmkA:
undetectable
1p6kB-1vmkA:
undetectable		 1p6kA-1vmkA:
20.54
1p6kB-1vmkA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		4 TRP C 814
PHE C 848
MET C 860
VAL C 838
 None
 1.48A 1p6kA-1wa5C:
undetectable
1p6kB-1wa5C:
undetectable		 1p6kA-1wa5C:
16.67
1p6kB-1wa5C:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wf0 TAR DNA-BINDING
PROTEIN-43

(Homo sapiens) 		PF00076
(RRM_1) 		4 PHE A  26
GLU A  21
MET A  17
VAL A  35
 None
 1.37A 1p6kA-1wf0A:
undetectable
1p6kB-1wf0A:
undetectable		 1p6kA-1wf0A:
11.64
1p6kB-1wf0A:
11.64
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.
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
 1.17A 1p6kA-1wqlB:
undetectable
1p6kB-1wqlB:
undetectable		 1p6kA-1wqlB:
19.79
1p6kB-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.
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
 1.05A 1p6kA-2b39A:
undetectable
1p6kB-2b39A:
undetectable		 1p6kA-2b39A:
13.59
1p6kB-2b39A:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B 788
GLU A 360
ARG A  62
VAL A 367
 None
 1.38A 1p6kA-2fjaB:
undetectable
1p6kB-2fjaB:
undetectable		 1p6kA-2fjaB:
18.53
1p6kB-2fjaB:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
 1.33A 1p6kA-2ggmA:
0.7
1p6kB-2ggmA:
undetectable		 1p6kA-2ggmA:
16.67
1p6kB-2ggmA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.23A 1p6kA-2glfA:
0.0
1p6kB-2glfA:
undetectable		 1p6kA-2glfA:
20.87
1p6kB-2glfA:
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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
None
None
CA  A1001 ( 4.9A)
 1.29A 1p6kA-2obhA:
undetectable
1p6kB-2obhA:
undetectable		 1p6kA-2obhA:
17.13
1p6kB-2obhA:
17.13
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.
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
 1.42A 1p6kA-2vy0A:
undetectable
1p6kB-2vy0A:
undetectable		 1p6kA-2vy0A:
19.82
1p6kB-2vy0A:
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.
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
 1.42A 1p6kA-2w4oA:
1.2
1p6kB-2w4oA:
1.2		 1p6kA-2w4oA:
20.81
1p6kB-2w4oA:
20.81
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		4 PHE A  98
GLU A 108
ARG A 159
VAL A 164
 None
 1.45A 1p6kA-2xhyA:
undetectable
1p6kB-2xhyA:
undetectable		 1p6kA-2xhyA:
20.92
1p6kB-2xhyA:
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.
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
 1.29A 1p6kA-2ywbA:
undetectable
1p6kB-2ywbA:
undetectable		 1p6kA-2ywbA:
21.54
1p6kB-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
 1.39A 1p6kA-2z11A:
undetectable
1p6kB-2z11A:
undetectable		 1p6kA-2z11A:
17.58
1p6kB-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.
2z8c INSULIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PHE A1144
MET A1112
ARG A1101
VAL A1140
 None
 1.44A 1p6kA-2z8cA:
undetectable
1p6kB-2z8cA:
undetectable		 1p6kA-2z8cA:
21.69
1p6kB-2z8cA:
21.69
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 TRP A  15
PHE A 137
GLU A  16
MET A  17
 None
 1.27A 1p6kA-2zf8A:
undetectable
1p6kB-2zf8A:
undetectable		 1p6kA-2zf8A:
21.23
1p6kB-2zf8A:
21.23
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.
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
 1.41A 1p6kA-3b7fA:
undetectable
1p6kB-3b7fA:
undetectable		 1p6kA-3b7fA:
20.87
1p6kB-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.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 PHE A 211
GLU A 206
MET A 202
VAL A 220
 None
 1.11A 1p6kA-3d2wA:
undetectable
1p6kB-3d2wA:
undetectable		 1p6kA-3d2wA:
12.22
1p6kB-3d2wA:
12.22
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 TRP A  70
PHE A  88
GLU A  71
VAL A  16
 None
 1.50A 1p6kA-3ddlA:
undetectable
1p6kB-3ddlA:
undetectable		 1p6kA-3ddlA:
20.14
1p6kB-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.33A 1p6kA-3f3zA:
undetectable
1p6kB-3f3zA:
undetectable		 1p6kA-3f3zA:
21.03
1p6kB-3f3zA:
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 PHE A  67
GLU A  65
ARG A  27
VAL A  56
 None
 1.48A 1p6kA-3gs3A:
undetectable
1p6kB-3gs3A:
undetectable		 1p6kA-3gs3A:
20.23
1p6kB-3gs3A:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B  88
GLU A 380
ARG A  66
VAL A 387
 None
 1.32A 1p6kA-3gyxB:
undetectable
1p6kB-3gyxB:
undetectable		 1p6kA-3gyxB:
16.67
1p6kB-3gyxB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hk4 MLR7391 PROTEIN

(Mesorhizobium
loti) 		PF12680
(SnoaL_2) 		4 PHE A  78
GLU A   5
MET A   1
VAL A 105
 None
 1.38A 1p6kA-3hk4A:
undetectable
1p6kB-3hk4A:
undetectable		 1p6kA-3hk4A:
15.26
1p6kB-3hk4A:
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		4 TRP A 534
PHE A 531
MET A 471
ARG A 518
 None
 1.22A 1p6kA-3k5zA:
undetectable
1p6kB-3k5zA:
undetectable		 1p6kA-3k5zA:
23.63
1p6kB-3k5zA:
23.63
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.
3l3p IPAH9.8

(Shigella
flexneri) 		PF14496
(NEL) 		4 TRP A 274
GLU A 314
VAL A 258
TRP A 261
 None
 1.32A 1p6kA-3l3pA:
3.2
1p6kB-3l3pA:
undetectable		 1p6kA-3l3pA:
20.65
1p6kB-3l3pA:
20.65
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 TRP A 819
GLU A 787
MET A 786
VAL A 832
 None
 1.45A 1p6kA-3lltA:
undetectable
1p6kB-3lltA:
undetectable		 1p6kA-3lltA:
21.74
1p6kB-3lltA:
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.42A 1p6kA-3ma6A:
undetectable
1p6kB-3ma6A:
undetectable		 1p6kA-3ma6A:
21.55
1p6kB-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.
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 1p6kA-3o98A:
undetectable
1p6kB-3o98A:
undetectable		 1p6kA-3o98A:
21.28
1p6kB-3o98A:
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.23A 1p6kA-3owcA:
undetectable
1p6kB-3owcA:
undetectable		 1p6kA-3owcA:
16.31
1p6kB-3owcA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 PHE A 113
GLU A 109
MET A 108
TRP A 128
 None
 1.25A 1p6kA-3q63A:
undetectable
1p6kB-3q63A:
undetectable		 1p6kA-3q63A:
15.45
1p6kB-3q63A:
15.45
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.26A 1p6kA-3rjyA:
undetectable
1p6kB-3rjyA:
undetectable		 1p6kA-3rjyA:
21.27
1p6kB-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.
3su8 PLEXIN-B1

(Homo sapiens) 		PF08337
(Plexin_cytopl) 		4 PHE X1954
GLU X1684
MET X1675
TRP X1976
 None
 1.40A 1p6kA-3su8X:
undetectable
1p6kB-3su8X:
undetectable		 1p6kA-3su8X:
21.27
1p6kB-3su8X:
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.45A 1p6kA-3sxfA:
undetectable
1p6kB-3sxfA:
undetectable		 1p6kA-3sxfA:
20.45
1p6kB-3sxfA:
20.45
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.42A 1p6kA-3ti8A:
undetectable
1p6kB-3ti8A:
undetectable		 1p6kA-3ti8A:
22.37
1p6kB-3ti8A:
22.37
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.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE B 953
GLU B 951
ARG B 924
VAL B 944
 None
 1.31A 1p6kA-3tixB:
undetectable
1p6kB-3tixB:
undetectable		 1p6kA-3tixB:
22.16
1p6kB-3tixB:
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		4 PHE A 162
GLU A 156
ARG A 109
VAL A 166
 None
MG  A 213 (-3.2A)
None
None
 1.30A 1p6kA-3uxmA:
undetectable
1p6kB-3uxmA:
undetectable		 1p6kA-3uxmA:
20.29
1p6kB-3uxmA:
20.29
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 TRP A 383
PHE A 370
ARG A 373
VAL A 412
 None
 1.45A 1p6kA-4fnqA:
undetectable
1p6kB-4fnqA:
undetectable		 1p6kA-4fnqA:
21.05
1p6kB-4fnqA:
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.39A 1p6kA-4g76A:
undetectable
1p6kB-4g76A:
undetectable		 1p6kA-4g76A:
20.05
1p6kB-4g76A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1p6kA-4lmvA:
undetectable
1p6kB-4lmvA:
undetectable		 1p6kA-4lmvA:
21.00
1p6kB-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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.23A 1p6kA-4mlnA:
undetectable
1p6kB-4mlnA:
undetectable		 1p6kA-4mlnA:
16.12
1p6kB-4mlnA:
16.12
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.29A 1p6kA-4n6wA:
undetectable
1p6kB-4n6wA:
undetectable		 1p6kA-4n6wA:
19.62
1p6kB-4n6wA:
19.62
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.
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
 1.28A 1p6kA-4p2lA:
undetectable
1p6kB-4p2lA:
undetectable		 1p6kA-4p2lA:
21.43
1p6kB-4p2lA:
21.43
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
VAL A  79
 None
 1.41A 1p6kA-4pneA:
undetectable
1p6kB-4pneA:
undetectable		 1p6kA-4pneA:
21.23
1p6kB-4pneA:
21.23
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.14A 1p6kA-4xj6A:
undetectable
1p6kB-4xj6A:
undetectable		 1p6kA-4xj6A:
21.11
1p6kB-4xj6A:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.09A 1p6kA-4xj6A:
undetectable
1p6kB-4xj6A:
undetectable		 1p6kA-4xj6A:
21.11
1p6kB-4xj6A:
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.41A 1p6kA-4ylrA:
undetectable
1p6kB-4ylrA:
undetectable		 1p6kA-4ylrA:
22.35
1p6kB-4ylrA:
22.35
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.37A 1p6kA-5by3A:
undetectable
1p6kB-5by3A:
undetectable		 1p6kA-5by3A:
20.00
1p6kB-5by3A:
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.
5e6p PLEXIN-B2

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 PHE A1661
GLU A1402
MET A1393
TRP A1683
 None
 1.35A 1p6kA-5e6pA:
undetectable
1p6kB-5e6pA:
undetectable		 1p6kA-5e6pA:
21.19
1p6kB-5e6pA:
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		4 GLU A 418
ARG A 316
VAL A 438
TRP A 439
 None
BE2  A1476 (-4.0A)
BE2  A1476 ( 4.3A)
BE2  A1476 ( 3.7A)
 1.34A 1p6kA-5fjnA:
undetectable
1p6kB-5fjnA:
undetectable		 1p6kA-5fjnA:
23.52
1p6kB-5fjnA:
23.52
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.43A 1p6kA-5m7rA:
undetectable
1p6kB-5m7rA:
undetectable		 1p6kA-5m7rA:
18.06
1p6kB-5m7rA:
18.06
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.
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 1p6kA-5m8tA:
undetectable
1p6kB-5m8tA:
undetectable		 1p6kA-5m8tA:
20.30
1p6kB-5m8tA:
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 TRP A 223
MET A 228
ARG A1201
VAL A1193
 None
 1.48A 1p6kA-5ujaA:
undetectable
1p6kB-5ujaA:
undetectable		 1p6kA-5ujaA:
14.67
1p6kB-5ujaA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 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 1p6kA-5xf7A:
undetectable
1p6kB-5xf7A:
undetectable		 1p6kA-5xf7A:
13.09
1p6kB-5xf7A:
13.09
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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 TRP H  49
MET H 105
VAL D  98
TRP D  91
 None
 1.04A 1p6kA-5xwdH:
undetectable
1p6kB-5xwdH:
undetectable		 1p6kA-5xwdH:
10.16
1p6kB-5xwdH:
10.16
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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3
SUPPRESSOR OF HU
SENSITIVITY INVOLVED
IN RECOMBINATION
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A 170
MET A 115
ARG C  58
VAL C  51
 None
 1.44A 1p6kA-5xynA:
0.1
1p6kB-5xynA:
undetectable		 1p6kA-5xynA:
19.47
1p6kB-5xynA:
19.47
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.46A 1p6kA-6fyoA:
undetectable
1p6kB-6fyoA:
undetectable		 1p6kA-6fyoA:
undetectable
1p6kB-6fyoA:
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.36A 1p6kA-6fyvA:
undetectable
1p6kB-6fyvA:
undetectable		 1p6kA-6fyvA:
undetectable
1p6kB-6fyvA:
undetectable