SIMILAR PATTERNS OF AMINO ACIDS FOR 6AV4_B_H4BB802

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
 1.30A 6av4A-1c4kA:
0.0
6av4B-1c4kA:
0.0		 6av4A-1c4kA:
7.30
6av4B-1c4kA:
7.30
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.
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
 1.40A 6av4A-1h3jA:
0.0
6av4B-1h3jA:
0.0		 6av4A-1h3jA:
12.42
6av4B-1h3jA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 GLU A 814
MET A 815
VAL A 707
TRP A 819
 None
 1.13A 6av4A-1jqoA:
0.0
6av4B-1jqoA:
0.0		 6av4A-1jqoA:
5.91
6av4B-1jqoA:
5.91
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.
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 6av4A-1kexA:
undetectable
6av4B-1kexA:
0.0		 6av4A-1kexA:
17.72
6av4B-1kexA:
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.31A 6av4A-1kh2A:
0.0
6av4B-1kh2A:
0.0		 6av4A-1kh2A:
10.75
6av4B-1kh2A:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.32A 6av4A-1l5jA:
0.0
6av4B-1l5jA:
0.0		 6av4A-1l5jA:
5.96
6av4B-1l5jA:
5.96
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 6av4A-1lzxA:
61.2
6av4B-1lzxA:
62.0		 6av4A-1lzxA:
91.03
6av4B-1lzxA:
91.03
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 PHE D  35
GLU D 132
VAL D  28
TRP D  31
 None
 1.38A 6av4A-1mhzD:
0.0
6av4B-1mhzD:
0.0		 6av4A-1mhzD:
9.79
6av4B-1mhzD:
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 0.98A 6av4A-1mzbA:
0.3
6av4B-1mzbA:
0.0		 6av4A-1mzbA:
18.71
6av4B-1mzbA:
18.71
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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 0.90A 6av4A-1pduA:
undetectable
6av4B-1pduA:
undetectable		 6av4A-1pduA:
13.91
6av4B-1pduA:
13.91
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 TRP A 110
PHE A 117
ARG A   2
VAL A  28
 None
 1.49A 6av4A-1t1jA:
undetectable
6av4B-1t1jA:
undetectable		 6av4A-1t1jA:
21.37
6av4B-1t1jA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6av4A-1vmkA:
undetectable
6av4B-1vmkA:
undetectable		 6av4A-1vmkA:
12.13
6av4B-1vmkA:
12.13
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.
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
 1.13A 6av4A-1wqlB:
undetectable
6av4B-1wqlB:
undetectable		 6av4A-1wqlB:
17.84
6av4B-1wqlB:
17.84
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.
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
 1.09A 6av4A-2b39A:
undetectable
6av4B-2b39A:
undetectable		 6av4A-2b39A:
3.67
6av4B-2b39A:
3.67
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 TRP I 225
PHE I 274
GLU I 378
VAL I 375
 None
 1.48A 6av4A-2b4xI:
undetectable
6av4B-2b4xI:
undetectable		 6av4A-2b4xI:
11.08
6av4B-2b4xI:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 6av4A-2fjaB:
undetectable
6av4B-2fjaB:
undetectable		 6av4A-2fjaB:
17.65
6av4B-2fjaB:
17.65
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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
 1.26A 6av4A-2ggmA:
undetectable
6av4B-2ggmA:
undetectable		 6av4A-2ggmA:
18.60
6av4B-2ggmA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.25A 6av4A-2obhA:
undetectable
6av4B-2obhA:
undetectable		 6av4A-2obhA:
18.18
6av4B-2obhA:
18.18
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 TRP A 368
GLU A 371
MET A 370
TRP A 369
 None
 1.23A 6av4A-2v4jA:
undetectable
6av4B-2v4jA:
undetectable		 6av4A-2v4jA:
13.03
6av4B-2v4jA:
13.03
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.
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
 1.43A 6av4A-2vy0A:
undetectable
6av4B-2vy0A:
undetectable		 6av4A-2vy0A:
15.73
6av4B-2vy0A:
15.73
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.
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
 1.43A 6av4A-2w4oA:
undetectable
6av4B-2w4oA:
undetectable		 6av4A-2w4oA:
15.36
6av4B-2w4oA:
15.36
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.
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
 1.49A 6av4A-2xhyA:
undetectable
6av4B-2xhyA:
undetectable		 6av4A-2xhyA:
11.06
6av4B-2xhyA:
11.06
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 PHE A 698
GLU A 722
ARG A 697
VAL A 717
 None
 1.32A 6av4A-2xvgA:
undetectable
6av4B-2xvgA:
undetectable		 6av4A-2xvgA:
6.08
6av4B-2xvgA:
6.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 6av4A-2ywbA:
undetectable
6av4B-2ywbA:
undetectable		 6av4A-2ywbA:
9.24
6av4B-2ywbA:
9.24
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.
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
 1.41A 6av4A-2z11A:
undetectable
6av4B-2z11A:
undetectable		 6av4A-2z11A:
17.03
6av4B-2z11A:
17.03
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.
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
 1.28A 6av4A-2zf8A:
undetectable
6av4B-2zf8A:
undetectable		 6av4A-2zf8A:
14.34
6av4B-2zf8A:
14.34
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.
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
 1.42A 6av4A-3b7fA:
undetectable
6av4B-3b7fA:
undetectable		 6av4A-3b7fA:
11.89
6av4B-3b7fA:
11.89
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.
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
 0.98A 6av4A-3d2wA:
undetectable
6av4B-3d2wA:
undetectable		 6av4A-3d2wA:
17.65
6av4B-3d2wA:
17.65
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.
3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF14815
(NUDIX_4) 		4 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.46A 6av4A-3g0qA:
undetectable
6av4B-3g0qA:
undetectable		 6av4A-3g0qA:
13.51
6av4B-3g0qA:
13.51
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 PHE A  67
GLU A  65
ARG A  27
VAL A  56
 None
 1.49A 6av4A-3gs3A:
undetectable
6av4B-3gs3A:
undetectable		 6av4A-3gs3A:
17.71
6av4B-3gs3A:
17.71
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.
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
 1.31A 6av4A-3gyxB:
undetectable
6av4B-3gyxB:
undetectable		 6av4A-3gyxB:
21.60
6av4B-3gyxB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l3p IPAH9.8

(Shigella
flexneri) 		PF14496
(NEL) 		4 TRP A 274
GLU A 314
VAL A 258
TRP A 261
 None
 1.34A 6av4A-3l3pA:
undetectable
6av4B-3l3pA:
undetectable		 6av4A-3l3pA:
12.59
6av4B-3l3pA:
12.59
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 TRP A 819
GLU A 787
MET A 786
VAL A 832
 None
 1.33A 6av4A-3lltA:
undetectable
6av4B-3lltA:
undetectable		 6av4A-3lltA:
17.43
6av4B-3lltA:
17.43
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.44A 6av4A-3ma6A:
undetectable
6av4B-3ma6A:
undetectable		 6av4A-3ma6A:
12.75
6av4B-3ma6A:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 TRP A1001
PHE A 946
GLU A 908
ARG A 944
 None
 1.50A 6av4A-3n3kA:
undetectable
6av4B-3n3kA:
undetectable		 6av4A-3n3kA:
11.11
6av4B-3n3kA:
11.11
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		4 TRP A 368
GLU A 371
MET A 370
TRP A 369
 None
 1.37A 6av4A-3or2A:
undetectable
6av4B-3or2A:
undetectable		 6av4A-3or2A:
11.78
6av4B-3or2A:
11.78
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.24A 6av4A-3owcA:
undetectable
6av4B-3owcA:
undetectable		 6av4A-3owcA:
14.92
6av4B-3owcA:
14.92
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.
3p0l STEROIDOGENIC ACUTE
REGULATORY PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF01852
(START) 		4 PHE A 165
GLU A  80
MET A  83
VAL A 187
 None
 1.49A 6av4A-3p0lA:
undetectable
6av4B-3p0lA:
undetectable		 6av4A-3p0lA:
15.45
6av4B-3p0lA:
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 249
PHE A 203
MET A 259
VAL A 169
 None
 1.43A 6av4A-3q3uA:
undetectable
6av4B-3q3uA:
undetectable		 6av4A-3q3uA:
14.71
6av4B-3q3uA:
14.71
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 PHE A 113
GLU A 109
MET A 108
TRP A 128
 None
 1.40A 6av4A-3q63A:
undetectable
6av4B-3q63A:
undetectable		 6av4A-3q63A:
19.85
6av4B-3q63A:
19.85
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.26A 6av4A-3rjyA:
undetectable
6av4B-3rjyA:
undetectable		 6av4A-3rjyA:
13.75
6av4B-3rjyA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.41A 6av4A-3ti8A:
undetectable
6av4B-3ti8A:
undetectable		 6av4A-3ti8A:
11.39
6av4B-3ti8A:
11.39
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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 TRP A 140
PHE A 118
GLU A 141
VAL A 162
 None
 1.24A 6av4A-3tquA:
undetectable
6av4B-3tquA:
undetectable		 6av4A-3tquA:
15.42
6av4B-3tquA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 6av4A-3uxmA:
undetectable
6av4B-3uxmA:
undetectable		 6av4A-3uxmA:
15.17
6av4B-3uxmA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 TRP C2314
PHE C2329
GLU C2310
VAL C2274
 None
 1.31A 6av4A-4bgdC:
undetectable
6av4B-4bgdC:
undetectable		 6av4A-4bgdC:
13.49
6av4B-4bgdC:
13.49
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.
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
 1.47A 6av4A-4fnqA:
undetectable
6av4B-4fnqA:
undetectable		 6av4A-4fnqA:
7.85
6av4B-4fnqA:
7.85
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.39A 6av4A-4g76A:
undetectable
6av4B-4g76A:
undetectable		 6av4A-4g76A:
10.69
6av4B-4g76A:
10.69
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.
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
 1.08A 6av4A-4l37B:
undetectable
6av4B-4l37B:
undetectable		 6av4A-4l37B:
7.13
6av4B-4l37B:
7.13
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.
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
 1.13A 6av4A-4mlnA:
undetectable
6av4B-4mlnA:
undetectable		 6av4A-4mlnA:
18.18
6av4B-4mlnA:
18.18
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.
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
 1.20A 6av4A-4n6wA:
undetectable
6av4B-4n6wA:
undetectable		 6av4A-4n6wA:
14.41
6av4B-4n6wA:
14.41
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
VAL A  79
 None
 1.35A 6av4A-4pneA:
undetectable
6av4B-4pneA:
undetectable		 6av4A-4pneA:
11.92
6av4B-4pneA:
11.92
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 TRP A 267
PHE A 268
ARG A 280
VAL A 309
 None
 1.18A 6av4A-4xj5A:
undetectable
6av4B-4xj5A:
undetectable		 6av4A-4xj5A:
12.60
6av4B-4xj5A:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.13A 6av4A-4xj6A:
undetectable
6av4B-4xj6A:
undetectable		 6av4A-4xj6A:
12.20
6av4B-4xj6A:
12.20
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.08A 6av4A-4xj6A:
undetectable
6av4B-4xj6A:
undetectable		 6av4A-4xj6A:
12.20
6av4B-4xj6A:
12.20
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.38A 6av4A-4ylrA:
undetectable
6av4B-4ylrA:
undetectable		 6av4A-4ylrA:
12.37
6av4B-4ylrA:
12.37
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 TRP A2654
PHE A2555
VAL A2595
TRP A2641
 None
 1.47A 6av4A-5b4xA:
undetectable
6av4B-5b4xA:
undetectable		 6av4A-5b4xA:
7.56
6av4B-5b4xA:
7.56
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.37A 6av4A-5by3A:
undetectable
6av4B-5by3A:
undetectable		 6av4A-5by3A:
7.75
6av4B-5by3A:
7.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.50A 6av4A-5c6gA:
3.3
6av4B-5c6gA:
undetectable		 6av4A-5c6gA:
8.08
6av4B-5c6gA:
8.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.27A 6av4A-5fjnA:
undetectable
6av4B-5fjnA:
undetectable		 6av4A-5fjnA:
9.61
6av4B-5fjnA:
9.61
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.34A 6av4A-5kn8A:
undetectable
6av4B-5kn8A:
undetectable		 6av4A-5kn8A:
13.79
6av4B-5kn8A:
13.79
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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 GLU A 307
MET A 306
VAL A 310
TRP A 305
 None
 1.28A 6av4A-5lb8A:
undetectable
6av4B-5lb8A:
undetectable		 6av4A-5lb8A:
10.59
6av4B-5lb8A:
10.59
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.
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
 1.07A 6av4A-5m8tA:
undetectable
6av4B-5m8tA:
undetectable		 6av4A-5m8tA:
11.57
6av4B-5m8tA:
11.57
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.
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
 1.21A 6av4A-5xf7A:
undetectable
6av4B-5xf7A:
undetectable		 6av4A-5xf7A:
18.09
6av4B-5xf7A:
18.09
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
 1.06A 6av4A-5xwdH:
undetectable
6av4B-5xwdH:
undetectable		 6av4A-5xwdH:
23.33
6av4B-5xwdH:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 6av4A-6bk1A:
undetectable
6av4B-6bk1A:
undetectable		 6av4A-6bk1A:
16.87
6av4B-6bk1A:
16.87
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 TRP A 421
GLU A 394
MET A 393
VAL A 431
 None
 1.34A 6av4A-6fylA:
undetectable
6av4B-6fylA:
undetectable		 6av4A-6fylA:
undetectable
6av4B-6fylA:
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.34A 6av4A-6fyoA:
undetectable
6av4B-6fyoA:
undetectable		 6av4A-6fyoA:
undetectable
6av4B-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
 1.25A 6av4A-6fyvA:
undetectable
6av4B-6fyvA:
undetectable		 6av4A-6fyvA:
undetectable
6av4B-6fyvA:
undetectable