SIMILAR PATTERNS OF AMINO ACIDS FOR 5VUN_A_ACTA804

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 GLY A   6
GLN A   5
TRP A  38
SER A  11
 None
 1.36A 5vunA-1amyA:
0.0		 5vunA-1amyA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 GLY A 466
GLN A  97
VAL A 442
SER A 464
 None
 1.10A 5vunA-1eyyA:
0.0		 5vunA-1eyyA:
21.47
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 653
GLN A 617
VAL A 698
SER A 651
 None
 1.16A 5vunA-1fcpA:
0.0		 5vunA-1fcpA:
19.89
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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 265
GLN A 290
VAL A 268
SER A 167
 None
 1.16A 5vunA-1jvbA:
0.0		 5vunA-1jvbA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 GLY A 255
GLN A 254
VAL A 252
SER A 283
 None
 1.41A 5vunA-1l1fA:
0.0		 5vunA-1l1fA:
21.67
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 251
GLN A 252
VAL A 242
SER A 246
 None
None
None
NAD  A1250 (-3.3A)
 1.23A 5vunA-1lluA:
0.0		 5vunA-1lluA:
22.37
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) 		5 GLY A 417
GLN A 420
TRP A 587
VAL A 649
SER A 657
 ACT  A 860 ( 3.9A)
None
HEM  A 750 (-3.4A)
ACT  A 860 (-4.3A)
ACT  A 860 ( 3.9A)
 0.09A 5vunA-1lzxA:
63.4		 5vunA-1lzxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 GLN A 189
TRP A 356
VAL A 418
SER A 426
 None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
MPD  A 604 (-3.1A)
 0.75A 5vunA-1m9qA:
59.7		 5vunA-1m9qA:
64.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 GLY A 186
GLN A 189
TRP A 356
VAL A 418
 MPD  A 604 (-3.8A)
None
HEM  A 901 (-3.6A)
MPD  A 604 (-4.2A)
 0.15A 5vunA-1m9qA:
59.7		 5vunA-1m9qA:
64.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLY A 592
GLN A 465
TRP A 467
SER A 594
 None
 1.49A 5vunA-1ot5A:
0.0		 5vunA-1ot5A:
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 GLY A 660
GLN A 659
VAL A 372
SER A 385
 None
 1.49A 5vunA-1pemA:
undetectable		 5vunA-1pemA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 GLY A 584
TRP A 581
VAL A 575
SER A 589
 None
 1.06A 5vunA-1q8yA:
undetectable		 5vunA-1q8yA:
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		4 GLY A  24
GLN A 612
VAL A 471
SER A 610
 None
 1.48A 5vunA-1r6vA:
undetectable		 5vunA-1r6vA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLY A 192
TRP A 184
VAL A 183
SER A 248
 None
 1.39A 5vunA-1tvcA:
undetectable		 5vunA-1tvcA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 286
TRP A 281
VAL A 253
SER A 260
 None
 1.38A 5vunA-1y9aA:
undetectable		 5vunA-1y9aA:
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.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 4 GLY A  76
GLN A  78
VAL A 501
SER A  81
 None
 1.17A 5vunA-2d4yA:
undetectable		 5vunA-2d4yA:
19.84
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.
2eer NAD-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 265
GLN A 290
VAL A 268
SER A 167
 None
 1.20A 5vunA-2eerA:
undetectable		 5vunA-2eerA:
21.35
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 GLY A 622
GLN A 583
VAL A 654
SER A 580
 None
 1.44A 5vunA-2fuqA:
undetectable		 5vunA-2fuqA:
18.91
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 GLY A 124
GLN A 125
VAL A 114
SER A 214
 None
 1.22A 5vunA-2jb1A:
undetectable		 5vunA-2jb1A:
20.47
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.
2ose PROBABLE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Mimivirus) 		PF00160
(Pro_isomerase) 		4 GLY A 127
GLN A 172
VAL A 169
SER A 125
 None
 1.15A 5vunA-2oseA:
undetectable		 5vunA-2oseA:
20.56
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		4 GLY A 194
TRP A 209
VAL A 207
SER A 124
 None
 1.12A 5vunA-2v9iA:
undetectable		 5vunA-2v9iA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 GLY A 174
GLN A 124
VAL A 181
SER A 185
 None
 1.22A 5vunA-2vn7A:
undetectable		 5vunA-2vn7A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 GLY A 496
GLN A 493
VAL A 466
SER A 538
 None
 1.30A 5vunA-3a24A:
undetectable		 5vunA-3a24A:
20.59
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.
3adk ADENYLATE KINASE

(Sus scrofa) 		PF00406
(ADK) 		4 GLY A  22
GLN A  24
VAL A  13
SER A  19
 SO4  A 195 (-3.6A)
None
None
SO4  A 195 (-3.6A)
 1.18A 5vunA-3adkA:
undetectable		 5vunA-3adkA:
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		4 GLY A  86
GLN A  88
TRP A  85
VAL A  74
 None
 1.22A 5vunA-3d0qA:
undetectable		 5vunA-3d0qA:
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 GLY A 364
TRP A 366
VAL A 369
SER A 399
 None
 1.44A 5vunA-3gycA:
undetectable		 5vunA-3gycA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		4 GLY A 509
GLN A 510
TRP A 507
SER A 247
 None
 1.33A 5vunA-3iukA:
undetectable		 5vunA-3iukA:
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.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		4 GLY A 296
GLN A 298
VAL A 474
SER A 294
 None
 1.31A 5vunA-3lxqA:
undetectable		 5vunA-3lxqA:
20.16
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 4 GLY B 545
GLN B 503
VAL B 530
SER B 584
 None
 1.19A 5vunA-3nr8B:
undetectable		 5vunA-3nr8B:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzm DNA POLYMERASE III
SUBUNIT ALPHA

(Synechocystis
sp. PCC 6803) 		no annotation 4 GLY A 142
GLN A  46
TRP A  47
VAL A  22
 None
 1.20A 5vunA-3nzmA:
undetectable		 5vunA-3nzmA:
16.59
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A 309
GLN A 308
TRP A 405
VAL A 498
 CL  A 671 (-3.4A)
None
None
None
 1.16A 5vunA-3ps9A:
undetectable		 5vunA-3ps9A:
19.74
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A 309
GLN A 308
TRP A 408
VAL A 502
 CL  A 691 (-3.5A)
None
None
None
 1.09A 5vunA-3pvcA:
undetectable		 5vunA-3pvcA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		4 GLY A  12
TRP A  86
VAL A  82
SER A 149
 FV1  A4001 ( 3.3A)
None
None
FV1  A4001 (-2.6A)
 1.46A 5vunA-3qvfA:
undetectable		 5vunA-3qvfA:
20.42
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.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE

(Klebsiella
pneumoniae) 		PF05035
(DGOK) 		4 GLY A  65
TRP A  10
VAL A  35
SER A  69
 None
 1.33A 5vunA-3r1xA:
undetectable		 5vunA-3r1xA:
21.20
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.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		4 GLY A 205
TRP A 204
VAL A 202
SER A 110
 None
 1.30A 5vunA-3rftA:
undetectable		 5vunA-3rftA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6d PHOTOSYNTHETIC
REACTION CENTER
M-SUBUNIT

(Blastochloris
viridis) 		PF00124
(Photo_RC) 		4 GLY M 125
TRP M 128
VAL M 131
SER M  54
 LDA  M 705 ( 3.7A)
None
BPB  M 402 ( 4.7A)
SO4  M 325 (-2.9A)
 1.23A 5vunA-3t6dM:
undetectable		 5vunA-3t6dM:
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.
3tcm ALANINE
AMINOTRANSFERASE 2

(Hordeum vulgare) 		PF00155
(Aminotran_1_2) 		4 GLY A 300
GLN A 262
VAL A 346
SER A 296
 None
None
None
DCS  A 501 (-2.6A)
 1.48A 5vunA-3tcmA:
undetectable		 5vunA-3tcmA:
23.56
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.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		4 GLY A 216
GLN A 207
TRP A 214
VAL A 209
 None
 1.49A 5vunA-3tfwA:
undetectable		 5vunA-3tfwA:
18.33
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.
3umf ADENYLATE KINASE

(Schistosoma
mansoni) 		PF00406
(ADK) 		4 GLY A  23
GLN A  25
VAL A  14
SER A  20
 None
 1.30A 5vunA-3umfA:
undetectable		 5vunA-3umfA:
18.87
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 GLY A 292
GLN A 291
VAL A 371
SER A 326
 None
 1.34A 5vunA-3zppA:
undetectable		 5vunA-3zppA:
20.93
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.
4b9w TUDOR
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00567
(TUDOR) 		4 GLY A 721
GLN A 821
TRP A 823
VAL A 865
 None
 1.45A 5vunA-4b9wA:
undetectable		 5vunA-4b9wA:
17.30
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		4 GLY A  77
GLN A  75
VAL A 111
SER A  72
 None
 1.32A 5vunA-4c1oA:
undetectable		 5vunA-4c1oA:
18.19
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.
4f6l AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		no annotation 4 GLY B2066
GLN B2065
VAL B2285
SER B2068
 None
 1.32A 5vunA-4f6lB:
undetectable		 5vunA-4f6lB:
22.83
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.
4fbl LIPS LIPOLYTIC
ENZYME

(unidentified) 		PF12146
(Hydrolase_4) 		4 GLY A 137
GLN A 138
TRP A 134
VAL A 207
 None
 1.40A 5vunA-4fblA:
undetectable		 5vunA-4fblA:
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 4 GLY A 252
GLN A 166
VAL A 332
SER A 119
 None
 1.46A 5vunA-4hcyA:
undetectable		 5vunA-4hcyA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		4 GLY A 187
GLN A 188
VAL A 160
SER A  52
 None
None
None
MN  A 301 (-2.2A)
 1.46A 5vunA-4hqnA:
undetectable		 5vunA-4hqnA:
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.
4ius GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		4 GLY A  14
GLN A  13
VAL A 182
SER A   9
 EDO  A 504 (-3.6A)
SO4  A 503 ( 3.3A)
EDO  A 504 (-4.8A)
None
 1.37A 5vunA-4iusA:
undetectable		 5vunA-4iusA:
18.56
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.
4k22 PROTEIN VISC

(Escherichia
coli) 		PF01494
(FAD_binding_3) 		4 GLY A  21
GLN A  23
VAL A  29
SER A  25
 None
 1.25A 5vunA-4k22A:
undetectable		 5vunA-4k22A:
21.17
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 GLY A 303
GLN A 302
VAL A 382
SER A 337
 None
 1.33A 5vunA-4mr0A:
undetectable		 5vunA-4mr0A:
19.41
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		4 GLY A 379
GLN A 185
VAL A 384
SER A 181
 GLY  A 379 ( 0.0A)
GLN  A 185 ( 0.6A)
VAL  A 384 ( 0.6A)
SER  A 181 ( 0.0A)
 1.44A 5vunA-4mwtA:
undetectable		 5vunA-4mwtA:
21.18
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		4 GLY A 204
GLN A 258
VAL A 199
SER A 209
 None
 1.12A 5vunA-4ne4A:
undetectable		 5vunA-4ne4A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 GLY A 493
TRP A 524
VAL A 521
SER A 489
 SFG  A 700 (-3.6A)
None
None
None
 1.34A 5vunA-4onqA:
undetectable		 5vunA-4onqA:
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.
4zs6 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 4 GLY H 198
GLN H 200
VAL H 192
SER H 195
 None
 1.27A 5vunA-4zs6H:
undetectable		 5vunA-4zs6H:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		4 GLY A 101
GLN A 181
VAL A 184
SER A 105
 None
 1.24A 5vunA-5idtA:
undetectable		 5vunA-5idtA:
21.35
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.
5j98 VP2
VP3

(Slow bee
paralysis
virus;
Slow bee
paralysis virus) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 GLY C  63
GLN B 158
VAL C  98
SER C 116
 None
 1.37A 5vunA-5j98C:
undetectable		 5vunA-5j98C:
20.91
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		4 GLY A  82
GLN A  83
VAL A 250
SER A  78
 None
 1.44A 5vunA-5kvaA:
undetectable		 5vunA-5kvaA:
21.31
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		4 GLY A 296
TRP A 300
VAL A 303
SER A 333
 None
 1.44A 5vunA-5mrwA:
undetectable		 5vunA-5mrwA:
20.73
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 GLY B 275
GLN B 277
TRP B 273
SER B 280
 None
 1.34A 5vunA-5nd1B:
undetectable		 5vunA-5nd1B:
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  60
GLN A  62
TRP A  58
VAL A 189
 None
 1.36A 5vunA-5u1oA:
undetectable		 5vunA-5u1oA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xaz GAMMA-BUTYROLACTONE
RECEPTOR PROTEIN

(Streptomyces
fradiae) 		PF00440
(TetR_N) 		4 GLY A 161
GLN A 163
VAL A 179
SER A 166
 None
 1.46A 5vunA-5xazA:
undetectable		 5vunA-5xazA:
22.38
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 4 GLY A  22
GLN A  24
VAL A  13
SER A  19
 AP5  A 201 (-3.5A)
None
None
AP5  A 201 (-3.5A)
 1.19A 5vunA-5xruA:
undetectable		 5vunA-5xruA:
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.
5xxs PROTEIN RIBT

(Bacillus
subtilis) 		no annotation 4 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.25A 5vunA-5xxsA:
undetectable		 5vunA-5xxsA:
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.
6bp2 MR191 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 GLY H 203
GLN H 205
VAL H 197
SER H 200
 None
 1.37A 5vunA-6bp2H:
undetectable		 5vunA-6bp2H:
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 4 GLY A 651
GLN A 650
VAL A 364
SER A 379
 None
 1.40A 5vunA-6cgmA:
undetectable		 5vunA-6cgmA:
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.
6gup -

(-) 		no annotation 4 GLN A 172
TRP A 291
VAL A 292
SER A 166
 None
 1.37A 5vunA-6gupA:
undetectable		 5vunA-6gupA:
undetectable