SIMILAR PATTERNS OF AMINO ACIDS FOR 6AV1_A_H4BA802_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 VAL A 667
TRP A 673
PHE A 681
GLU A 649
 None
 1.32A 6av1A-1c4kA:
0.0
6av1B-1c4kA:
0.0		 6av1A-1c4kA:
7.30
6av1B-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.
1cyo CYTOCHROME B5

(Bos taurus) 		PF00173
(Cyt-b5) 		4 ARG A  68
VAL A  61
PHE A  58
GLU A  56
 None
None
HEM  A 201 (-4.8A)
None
 1.34A 6av1A-1cyoA:
0.0
6av1B-1cyoA:
0.0		 6av1A-1cyoA:
21.88
6av1B-1cyoA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.50A 6av1A-1dvkA:
1.5
6av1B-1dvkA:
0.0		 6av1A-1dvkA:
19.08
6av1B-1dvkA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ARG A   2
VAL A  87
TRP A  66
GLU A  76
 None
 1.47A 6av1A-1fhuA:
0.0
6av1B-1fhuA:
0.0		 6av1A-1fhuA:
12.30
6av1B-1fhuA:
12.30
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 MET A 815
VAL A 707
TRP A 819
GLU A 814
 None
 1.15A 6av1A-1jqoA:
0.0
6av1B-1jqoA:
0.0		 6av1A-1jqoA:
5.91
6av1B-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 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.43A 6av1A-1kexA:
undetectable
6av1B-1kexA:
0.0		 6av1A-1kexA:
17.72
6av1B-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 ARG A 282
VAL A 226
PHE A 220
GLU A 222
 None
 1.32A 6av1A-1kh2A:
0.5
6av1B-1kh2A:
0.0		 6av1A-1kh2A:
10.75
6av1B-1kh2A:
10.75
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)
 0.39A 6av1A-1lzxA:
61.1
6av1B-1lzxA:
61.7		 6av1A-1lzxA:
91.03
6av1B-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 VAL D  28
TRP D  31
PHE D  35
GLU D 132
 None
 1.29A 6av1A-1mhzD:
0.0
6av1B-1mhzD:
0.0		 6av1A-1mhzD:
9.79
6av1B-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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 VAL D  28
TRP D  31
PHE D  35
GLU D 132
 None
 1.48A 6av1A-1mtyD:
undetectable
6av1B-1mtyD:
undetectable		 6av1A-1mtyD:
10.37
6av1B-1mtyD:
10.37
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.00A 6av1A-1mzbA:
undetectable
6av1B-1mzbA:
undetectable		 6av1A-1mzbA:
18.71
6av1B-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 MET A 440
VAL A 401
TRP A 435
PHE A 432
 None
 0.85A 6av1A-1pduA:
0.4
6av1B-1pduA:
undetectable		 6av1A-1pduA:
13.91
6av1B-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 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.44A 6av1A-1t1jA:
undetectable
6av1B-1t1jA:
undetectable		 6av1A-1t1jA:
21.37
6av1B-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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 122
TRP A 277
PHE A 254
GLU A 250
 None
 1.47A 6av1A-1tkiA:
undetectable
6av1B-1tkiA:
undetectable		 6av1A-1tkiA:
13.38
6av1B-1tkiA:
13.38
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.
1u0o VON WILLEBRAND
FACTOR

(Mus musculus) 		PF00092
(VWA) 		4 MET C 541
VAL C 691
PHE C 536
GLU C 542
 None
 1.31A 6av1A-1u0oC:
0.5
6av1B-1u0oC:
undetectable		 6av1A-1u0oC:
16.18
6av1B-1u0oC:
16.18
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.42A 6av1A-1vmkA:
undetectable
6av1B-1vmkA:
undetectable		 6av1A-1vmkA:
12.13
6av1B-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.
1wf0 TAR DNA-BINDING
PROTEIN-43

(Homo sapiens) 		PF00076
(RRM_1) 		4 MET A  17
VAL A  35
PHE A  26
GLU A  21
 None
 1.14A 6av1A-1wf0A:
undetectable
6av1B-1wf0A:
undetectable		 6av1A-1wf0A:
17.07
6av1B-1wf0A:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 156
VAL B 128
PHE B 163
GLU B  26
 None
 1.14A 6av1A-1wqlB:
undetectable
6av1B-1wqlB:
undetectable		 6av1A-1wqlB:
17.84
6av1B-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 ARG A 708
VAL A1424
PHE A 722
GLU A 693
 None
 1.12A 6av1A-2b39A:
undetectable
6av1B-2b39A:
undetectable		 6av1A-2b39A:
3.67
6av1B-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 VAL I 375
TRP I 225
PHE I 274
GLU I 378
 None
 1.49A 6av1A-2b4xI:
undetectable
6av1B-2b4xI:
undetectable		 6av1A-2b4xI:
11.08
6av1B-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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ARG A 194
VAL A 254
PHE A 252
GLU A 106
 None
None
None
MG  A1001 ( 3.1A)
 1.48A 6av1A-2eb5A:
undetectable
6av1B-2eb5A:
undetectable		 6av1A-2eb5A:
14.40
6av1B-2eb5A:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 586
VAL A 578
TRP A 579
GLU A 555
 None
 1.30A 6av1A-2fjaA:
0.5
6av1B-2fjaA:
undetectable		 6av1A-2fjaA:
7.87
6av1B-2fjaA:
7.87
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.
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 ARG A  62
VAL A 367
TRP B 788
GLU A 360
 None
 1.32A 6av1A-2fjaA:
0.5
6av1B-2fjaA:
undetectable		 6av1A-2fjaA:
7.87
6av1B-2fjaA:
7.87
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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
 1.33A 6av1A-2ggmA:
1.3
6av1B-2ggmA:
undetectable		 6av1A-2ggmA:
18.60
6av1B-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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 MET A 537
TRP A 536
PHE A 529
GLU A 534
 None
 1.36A 6av1A-2i0kA:
undetectable
6av1B-2i0kA:
undetectable		 6av1A-2i0kA:
10.30
6av1B-2i0kA:
10.30
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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
CA  A1001 ( 4.9A)
None
None
 1.32A 6av1A-2obhA:
undetectable
6av1B-2obhA:
undetectable		 6av1A-2obhA:
18.18
6av1B-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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ARG A 199
VAL A  33
PHE A  61
GLU A  58
 None
 1.48A 6av1A-2q49A:
undetectable
6av1B-2q49A:
undetectable		 6av1A-2q49A:
11.61
6av1B-2q49A:
11.61
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 MET A 370
TRP A 369
TRP A 368
GLU A 371
 None
 1.25A 6av1A-2v4jA:
undetectable
6av1B-2v4jA:
undetectable		 6av1A-2v4jA:
13.03
6av1B-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 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.45A 6av1A-2vy0A:
undetectable
6av1B-2vy0A:
undetectable		 6av1A-2vy0A:
15.73
6av1B-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 ARG A 278
VAL A 269
TRP A 266
PHE A 261
 None
 1.42A 6av1A-2w4oA:
0.7
6av1B-2w4oA:
undetectable		 6av1A-2w4oA:
15.36
6av1B-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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 ARG A 211
VAL A 239
PHE A 309
GLU A 305
 None
 1.33A 6av1A-2ywbA:
undetectable
6av1B-2ywbA:
undetectable		 6av1A-2ywbA:
9.24
6av1B-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 VAL A  64
TRP A  66
PHE A   4
GLU A   6
 None
 1.42A 6av1A-2z11A:
undetectable
6av1B-2z11A:
undetectable		 6av1A-2z11A:
17.03
6av1B-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 MET A  17
TRP A  15
PHE A 137
GLU A  16
 None
 1.29A 6av1A-2zf8A:
undetectable
6av1B-2zf8A:
undetectable		 6av1A-2zf8A:
14.34
6av1B-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 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.43A 6av1A-3b7fA:
undetectable
6av1B-3b7fA:
undetectable		 6av1A-3b7fA:
11.89
6av1B-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 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 0.89A 6av1A-3d2wA:
undetectable
6av1B-3d2wA:
undetectable		 6av1A-3d2wA:
17.65
6av1B-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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.47A 6av1A-3ddlA:
undetectable
6av1B-3ddlA:
undetectable		 6av1A-3ddlA:
11.36
6av1B-3ddlA:
11.36
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 ARG A  27
VAL A  56
PHE A  67
GLU A  65
 None
 1.49A 6av1A-3gs3A:
undetectable
6av1B-3gs3A:
undetectable		 6av1A-3gs3A:
17.71
6av1B-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 ARG A  66
VAL A 387
TRP B  88
GLU A 380
 None
 1.25A 6av1A-3gyxA:
undetectable
6av1B-3gyxA:
undetectable		 6av1A-3gyxA:
8.72
6av1B-3gyxA:
8.72
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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 MET A  20
ARG A 118
TRP A  51
PHE A  34
 1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
1PE  A 131 (-4.5A)
 1.41A 6av1A-3hzpA:
undetectable
6av1B-3hzpA:
undetectable		 6av1A-3hzpA:
21.43
6av1B-3hzpA:
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.
3l3p IPAH9.8

(Shigella
flexneri) 		PF14496
(NEL) 		4 VAL A 258
TRP A 261
TRP A 274
GLU A 314
 None
 1.32A 6av1A-3l3pA:
undetectable
6av1B-3l3pA:
undetectable		 6av1A-3l3pA:
12.59
6av1B-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 MET A 786
VAL A 832
TRP A 819
GLU A 787
 None
 1.38A 6av1A-3lltA:
undetectable
6av1B-3lltA:
undetectable		 6av1A-3lltA:
17.43
6av1B-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 ARG A 269
VAL A 260
TRP A 257
PHE A 252
 None
 1.40A 6av1A-3ma6A:
undetectable
6av1B-3ma6A:
undetectable		 6av1A-3ma6A:
12.75
6av1B-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 ARG A 944
TRP A1001
PHE A 946
GLU A 908
 None
 1.49A 6av1A-3n3kA:
undetectable
6av1B-3n3kA:
undetectable		 6av1A-3n3kA:
11.11
6av1B-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 MET A 370
TRP A 369
TRP A 368
GLU A 371
 None
 1.36A 6av1A-3or2A:
undetectable
6av1B-3or2A:
undetectable		 6av1A-3or2A:
11.78
6av1B-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 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.20A 6av1A-3owcA:
undetectable
6av1B-3owcA:
undetectable		 6av1A-3owcA:
14.92
6av1B-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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 4 ARG A 188
VAL A 158
TRP A  27
GLU A 174
 None
 1.37A 6av1A-3pf7A:
undetectable
6av1B-3pf7A:
undetectable		 6av1A-3pf7A:
12.47
6av1B-3pf7A:
12.47
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 MET A 108
TRP A 128
PHE A 113
GLU A 109
 None
 1.39A 6av1A-3q63A:
undetectable
6av1B-3q63A:
undetectable		 6av1A-3q63A:
19.85
6av1B-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.
3r6y ASPARTASE

(Bacillus sp.
YM55-1) 		PF00206
(Lyase_1) 		4 MET A 298
VAL A 310
PHE A 178
GLU A 308
 MET  A 298 ( 0.0A)
VAL  A 310 ( 0.6A)
PHE  A 178 ( 1.3A)
GLU  A 308 ( 0.6A)
 1.43A 6av1A-3r6yA:
undetectable
6av1B-3r6yA:
undetectable		 6av1A-3r6yA:
12.98
6av1B-3r6yA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.30A 6av1A-3rjyA:
1.2
6av1B-3rjyA:
undetectable		 6av1A-3rjyA:
13.75
6av1B-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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.25A 6av1A-3tquA:
undetectable
6av1B-3tquA:
undetectable		 6av1A-3tquA:
15.42
6av1B-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 ARG A 109
VAL A 166
PHE A 162
GLU A 156
 None
None
None
MG  A 213 (-3.2A)
 1.28A 6av1A-3uxmA:
undetectable
6av1B-3uxmA:
undetectable		 6av1A-3uxmA:
15.17
6av1B-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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 ARG A 388
VAL A 385
PHE A 311
GLU A 267
 None
 1.50A 6av1A-3wa1A:
undetectable
6av1B-3wa1A:
undetectable		 6av1A-3wa1A:
13.86
6av1B-3wa1A:
13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 MET A 258
VAL A 265
TRP A  62
PHE A  85
 None
 1.35A 6av1A-4g76A:
undetectable
6av1B-4g76A:
undetectable		 6av1A-4g76A:
10.69
6av1B-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.
4lmv GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 ARG A  29
VAL A  73
PHE A   7
GLU A  42
 None
FLC  A 300 (-4.1A)
None
None
 1.04A 6av1A-4lmvA:
undetectable
6av1B-4lmvA:
undetectable		 6av1A-4lmvA:
14.69
6av1B-4lmvA:
14.69
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.
4m62 T117

(synthetic
construct) 		PF00359
(PTS_EIIA_2) 		4 MET S 146
ARG S 158
VAL S  19
GLU S 150
 None
 1.40A 6av1A-4m62S:
undetectable
6av1B-4m62S:
undetectable		 6av1A-4m62S:
18.71
6av1B-4m62S:
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 ARG A 385
TRP A 387
TRP A 218
PHE A 286
 None
 1.43A 6av1A-4mh1A:
undetectable
6av1B-4mh1A:
undetectable		 6av1A-4mh1A:
10.88
6av1B-4mh1A:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.11A 6av1A-4mlnA:
undetectable
6av1B-4mlnA:
undetectable		 6av1A-4mlnA:
18.18
6av1B-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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
VAL A  79
PHE A 141
GLU A 162
 None
 1.29A 6av1A-4pneA:
undetectable
6av1B-4pneA:
undetectable		 6av1A-4pneA:
11.92
6av1B-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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.10A 6av1A-4xj6A:
undetectable
6av1B-4xj6A:
undetectable		 6av1A-4xj6A:
12.20
6av1B-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 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.04A 6av1A-4xj6A:
undetectable
6av1B-4xj6A:
undetectable		 6av1A-4xj6A:
12.20
6av1B-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 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.38A 6av1A-4ylrA:
undetectable
6av1B-4ylrA:
undetectable		 6av1A-4ylrA:
12.37
6av1B-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.
4zvb DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 MET A   8
VAL A  84
TRP A  12
GLU A  11
 None
 1.40A 6av1A-4zvbA:
undetectable
6av1B-4zvbA:
undetectable		 6av1A-4zvbA:
19.75
6av1B-4zvbA:
19.75
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 VAL A2595
TRP A2641
TRP A2654
PHE A2555
 None
 1.43A 6av1A-5b4xA:
undetectable
6av1B-5b4xA:
undetectable		 6av1A-5b4xA:
7.56
6av1B-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.
5bs1 CRRBCX-IIA

(Chlamydomonas
reinhardtii) 		PF02341
(RcbX) 		4 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 6av1A-5bs1A:
undetectable
6av1B-5bs1A:
undetectable		 6av1A-5bs1A:
20.49
6av1B-5bs1A:
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 ARG A 505
VAL A 736
TRP A 732
GLU A 731
 None
 1.40A 6av1A-5by3A:
undetectable
6av1B-5by3A:
undetectable		 6av1A-5by3A:
7.75
6av1B-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 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.49A 6av1A-5c6gB:
undetectable
6av1B-5c6gB:
undetectable		 6av1A-5c6gB:
13.00
6av1B-5c6gB:
13.00
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.
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
 1.06A 6av1A-5m8tA:
undetectable
6av1B-5m8tA:
undetectable		 6av1A-5m8tA:
11.57
6av1B-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.
5wq3 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		PF03641
(Lysine_decarbox) 		4 MET A 112
ARG A 155
VAL A 104
PHE A 159
 None
 1.44A 6av1A-5wq3A:
undetectable
6av1B-5wq3A:
undetectable		 6av1A-5wq3A:
15.08
6av1B-5wq3A:
15.08
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 4 MET A 249
VAL A 231
PHE A 258
GLU A 253
 None
 1.10A 6av1A-5x89A:
undetectable
6av1B-5x89A:
undetectable		 6av1A-5x89A:
17.44
6av1B-5x89A:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 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 ARG A 129
VAL A  65
PHE A 113
GLU A 106
 None
 1.23A 6av1A-5xf7A:
undetectable
6av1B-5xf7A:
undetectable		 6av1A-5xf7A:
18.09
6av1B-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 MET H 105
VAL D  98
TRP D  91
TRP H  49
 None
 1.12A 6av1A-5xwdH:
undetectable
6av1B-5xwdH:
undetectable		 6av1A-5xwdH:
23.33
6av1B-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 ARG A 331
VAL A 317
TRP A 316
GLU A 322
 None
UDP  A 501 ( 4.8A)
None
None
 1.26A 6av1A-6bk1A:
undetectable
6av1B-6bk1A:
undetectable		 6av1A-6bk1A:
16.87
6av1B-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.
6ces RAS-RELATED
GTP-BINDING PROTEIN
A

(Homo sapiens) 		no annotation 4 MET A 252
VAL A 274
PHE A 259
GLU A 253
 None
 1.27A 6av1A-6cesA:
0.2
6av1B-6cesA:
undetectable		 6av1A-6cesA:
25.27
6av1B-6cesA:
25.27
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 MET A 393
VAL A 431
TRP A 421
GLU A 394
 None
 1.38A 6av1A-6fylA:
undetectable
6av1B-6fylA:
undetectable		 6av1A-6fylA:
undetectable
6av1B-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 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.38A 6av1A-6fyoA:
undetectable
6av1B-6fyoA:
undetectable		 6av1A-6fyoA:
undetectable
6av1B-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 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.29A 6av1A-6fyvA:
undetectable
6av1B-6fyvA:
undetectable		 6av1A-6fyvA:
undetectable
6av1B-6fyvA:
undetectable