SIMILAR PATTERNS OF AMINO ACIDS FOR 5VVD_B_H4BB502_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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		4 TRP A 325
PHE A  39
VAL A  63
ARG A  35
 None
 1.31A 5vvdA-1gzvA:
0.0
5vvdB-1gzvA:
0.0		 5vvdA-1gzvA:
22.20
5vvdB-1gzvA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.44A 5vvdA-1kexA:
undetectable
5vvdB-1kexA:
undetectable		 5vvdA-1kexA:
16.39
5vvdB-1kexA:
16.39
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.
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
 1.35A 5vvdA-1l5jA:
0.0
5vvdB-1l5jA:
0.0		 5vvdA-1l5jA:
20.71
5vvdB-1l5jA:
20.71
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 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.25A 5vvdA-1lzxA:
58.4
5vvdB-1lzxA:
58.9		 5vvdA-1lzxA:
61.88
5vvdB-1lzxA:
61.88
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 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 5vvdA-1m9qA:
61.0
5vvdB-1m9qA:
62.4		 5vvdA-1m9qA:
100.00
5vvdB-1m9qA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 PHE A 154
VAL A 200
ARG A 160
TRP A  27
 SO4  A 400 (-4.6A)
None
None
SO4  A 400 (-3.4A)
 1.29A 5vvdA-1nrkA:
0.0
5vvdB-1nrkA:
0.0		 5vvdA-1nrkA:
22.63
5vvdB-1nrkA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.27A 5vvdA-1qw5A:
56.2
5vvdB-1qw5A:
56.5		 5vvdA-1qw5A:
61.43
5vvdB-1qw5A:
61.43
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.
1w8g HYPOTHETICAL UPF0001
PROTEIN YGGS

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		4 TRP A  99
TRP A  79
PHE A  97
GLU A  78
 None
 1.12A 5vvdA-1w8gA:
0.0
5vvdB-1w8gA:
0.0		 5vvdA-1w8gA:
20.98
5vvdB-1w8gA:
20.98
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP A 169
TRP A 237
GLU A 236
TRP A 235
 None
None
CA  A1004 (-3.6A)
None
 1.13A 5vvdA-1y4jA:
0.0
5vvdB-1y4jA:
0.0		 5vvdA-1y4jA:
20.69
5vvdB-1y4jA:
20.69
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A 485
GLU A 405
VAL A 397
TRP A 441
 None
 1.49A 5vvdA-1zvdA:
undetectable
5vvdB-1zvdA:
0.0		 5vvdA-1zvdA:
22.57
5vvdB-1zvdA:
22.57
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 5vvdA-2d52A:
0.0
5vvdB-2d52A:
undetectable		 5vvdA-2d52A:
20.39
5vvdB-2d52A:
20.39
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 PHE A  29
GLU A  27
VAL A  23
ARG A 116
 None
 1.23A 5vvdA-2incA:
undetectable
5vvdB-2incA:
undetectable		 5vvdA-2incA:
21.77
5vvdB-2incA:
21.77
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.
2j0r HEMIN TRANSPORT
PROTEIN HEMS

(Yersinia
enterocolitica) 		PF05171
(HemS) 		4 TRP A 189
PHE A 198
GLU A 188
VAL A 185
 None
 1.39A 5vvdA-2j0rA:
undetectable
5vvdB-2j0rA:
undetectable		 5vvdA-2j0rA:
20.39
5vvdB-2j0rA:
20.39
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.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		4 TRP A 166
TRP A 236
GLU A 235
TRP A 234
 None
 1.26A 5vvdA-2q17A:
undetectable
5vvdB-2q17A:
undetectable		 5vvdA-2q17A:
22.86
5vvdB-2q17A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 TRP A 630
TRP A 635
PHE A 638
VAL A 588
 None
 1.11A 5vvdA-2rdyA:
undetectable
5vvdB-2rdyA:
undetectable		 5vvdA-2rdyA:
20.86
5vvdB-2rdyA:
20.86
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.42A 5vvdA-2rttA:
undetectable
5vvdB-2rttA:
undetectable		 5vvdA-2rttA:
15.38
5vvdB-2rttA:
15.38
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 TRP A 840
PHE A 816
GLU A 826
VAL A 811
 None
 1.46A 5vvdA-2xqxA:
undetectable
5vvdB-2xqxA:
undetectable		 5vvdA-2xqxA:
14.58
5vvdB-2xqxA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TRP A 526
PHE A 564
GLU A 530
VAL A 537
 None
 1.36A 5vvdA-3a2fA:
undetectable
5vvdB-3a2fA:
undetectable		 5vvdA-3a2fA:
19.51
5vvdB-3a2fA:
19.51
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.
3bwv PUTATIVE
5'(3')-DEOXYRIBONUCL
EOTIDASE

(Staphylococcus
epidermidis) 		PF06941
(NT5C) 		4 PHE A 110
GLU A  75
VAL A  76
TRP A 167
 None
 1.47A 5vvdA-3bwvA:
undetectable
5vvdB-3bwvA:
undetectable		 5vvdA-3bwvA:
17.52
5vvdB-3bwvA:
17.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  90
TRP A 461
PHE A 476
GLU A 479
 None
 0.26A 5vvdA-3e7gA:
55.2
5vvdB-3e7gA:
55.5		 5vvdA-3e7gA:
58.24
5vvdB-3e7gA:
58.24
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.
3eja PROTEIN GH61E

(Thielavia
terrestris) 		PF03443
(Glyco_hydro_61) 		4 TRP A  88
GLU A  83
VAL A  79
ARG A  17
 SO4  A4850 (-4.1A)
SO4  A4850 ( 3.9A)
None
None
 1.42A 5vvdA-3ejaA:
undetectable
5vvdB-3ejaA:
undetectable		 5vvdA-3ejaA:
18.91
5vvdB-3ejaA:
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A4109
GLU A4033
VAL A4019
TRP A4065
 None
 1.29A 5vvdA-3g1nA:
undetectable
5vvdB-3g1nA:
undetectable		 5vvdA-3g1nA:
21.02
5vvdB-3g1nA:
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.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		4 TRP A  65
TRP A 260
GLU A 257
ARG A  56
 None
 1.48A 5vvdA-3islA:
undetectable
5vvdB-3islA:
0.0		 5vvdA-3islA:
21.49
5vvdB-3islA:
21.49
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.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		4 TRP A 256
PHE A 233
GLU A 254
VAL A 241
 None
 0.94A 5vvdA-3k25A:
undetectable
5vvdB-3k25A:
undetectable		 5vvdA-3k25A:
20.67
5vvdB-3k25A:
20.67
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.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		4 PHE A  93
GLU A  69
VAL A  89
ARG A 109
 None
 1.45A 5vvdA-3k77A:
undetectable
5vvdB-3k77A:
undetectable		 5vvdA-3k77A:
15.58
5vvdB-3k77A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 PHE A 133
GLU A 122
VAL A 120
ARG A  69
 None
 1.30A 5vvdA-3lccA:
undetectable
5vvdB-3lccA:
undetectable		 5vvdA-3lccA:
17.98
5vvdB-3lccA:
17.98
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.02A 5vvdA-3vv4A:
undetectable
5vvdB-3vv4A:
undetectable		 5vvdA-3vv4A:
18.33
5vvdB-3vv4A:
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 TRP A 164
TRP A 244
GLU A 243
VAL A 160
 None
 1.32A 5vvdA-4fcsA:
undetectable
5vvdB-4fcsA:
undetectable		 5vvdA-4fcsA:
20.35
5vvdB-4fcsA:
20.35
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.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		4 TRP A 107
PHE A  90
GLU A 133
VAL A 130
 None
 1.45A 5vvdA-4gf8A:
undetectable
5vvdB-4gf8A:
undetectable		 5vvdA-4gf8A:
21.85
5vvdB-4gf8A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TRP A   9
GLU A 421
VAL A 420
TRP A 183
 None
 1.47A 5vvdA-4gi2A:
undetectable
5vvdB-4gi2A:
undetectable		 5vvdA-4gi2A:
20.25
5vvdB-4gi2A:
20.25
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.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		4 TRP A  87
TRP A  86
GLU A  85
VAL A 101
 None
 1.17A 5vvdA-4ifaA:
undetectable
5vvdB-4ifaA:
undetectable		 5vvdA-4ifaA:
20.75
5vvdB-4ifaA:
20.75
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.
4j8c HSC70-INTERACTING
PROTEIN

(Rattus
norvegicus) 		no annotation 4 PHE A  30
GLU A  36
VAL A  35
TRP A  34
 None
 1.47A 5vvdA-4j8cA:
undetectable
5vvdB-4j8cA:
undetectable		 5vvdA-4j8cA:
8.79
5vvdB-4j8cA:
8.79
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.16A 5vvdA-4o6xA:
undetectable
5vvdB-4o6xA:
undetectable		 5vvdA-4o6xA:
12.95
5vvdB-4o6xA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 TRP A 613
PHE A  89
GLU A 406
ARG A 424
 None
 1.48A 5vvdA-4rasA:
undetectable
5vvdB-4rasA:
0.0		 5vvdA-4rasA:
20.90
5vvdB-4rasA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.05A 5vvdA-4u3vA:
undetectable
5vvdB-4u3vA:
undetectable		 5vvdA-4u3vA:
20.76
5vvdB-4u3vA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 TRP A 299
TRP A 361
GLU A 360
TRP A 359
 None
None
CA  A 517 (-3.9A)
None
 1.11A 5vvdA-4x8dA:
undetectable
5vvdB-4x8dA:
undetectable		 5vvdA-4x8dA:
22.77
5vvdB-4x8dA:
22.77
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 TRP A 407
PHE A 404
GLU A 410
VAL A 409
 None
 1.29A 5vvdA-5cowA:
undetectable
5vvdB-5cowA:
undetectable		 5vvdA-5cowA:
21.97
5vvdB-5cowA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 TRP A 288
PHE A  13
GLU A  33
VAL A  36
 None
 1.48A 5vvdA-5ft6A:
undetectable
5vvdB-5ft6A:
undetectable		 5vvdA-5ft6A:
22.63
5vvdB-5ft6A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TRP A 326
PHE A 359
GLU A 325
VAL A 324
 None
 1.45A 5vvdA-5gn5A:
undetectable
5vvdB-5gn5A:
undetectable		 5vvdA-5gn5A:
21.73
5vvdB-5gn5A:
21.73
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		4 TRP A 179
TRP A 141
PHE A 147
GLU A 143
 None
None
None
GOL  A 402 (-2.9A)
 1.45A 5vvdA-5i2uA:
undetectable
5vvdB-5i2uA:
undetectable		 5vvdA-5i2uA:
21.60
5vvdB-5i2uA:
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.11A 5vvdA-5jseA:
undetectable
5vvdB-5jseA:
undetectable		 5vvdA-5jseA:
18.54
5vvdB-5jseA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 TRP A 251
GLU A 254
VAL A 329
TRP A 324
 FAD  A 901 (-3.9A)
None
None
None
 1.37A 5vvdA-5l46A:
0.0
5vvdB-5l46A:
undetectable		 5vvdA-5l46A:
18.71
5vvdB-5l46A:
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 None
 1.18A 5vvdA-5lp8B:
undetectable
5vvdB-5lp8B:
undetectable		 5vvdA-5lp8B:
22.42
5vvdB-5lp8B:
22.42
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.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 PHE N 115
GLU N 117
VAL N 120
ARG P  16
 None
 1.09A 5vvdA-5lskN:
0.3
5vvdB-5lskN:
undetectable		 5vvdA-5lskN:
20.23
5vvdB-5lskN:
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.
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
 1.02A 5vvdA-5m8tA:
undetectable
5vvdB-5m8tA:
undetectable		 5vvdA-5m8tA:
22.16
5vvdB-5m8tA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TRP A 599
PHE A 606
VAL A 538
ARG A 205
 None
 1.46A 5vvdA-5no8A:
undetectable
5vvdB-5no8A:
undetectable		 5vvdA-5no8A:
21.46
5vvdB-5no8A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 TRP A 160
TRP A 230
GLU A 229
TRP A 228
 None
None
CA  A 407 (-3.9A)
ACT  A 405 (-3.9A)
 1.13A 5vvdA-5nyyA:
undetectable
5vvdB-5nyyA:
undetectable		 5vvdA-5nyyA:
20.76
5vvdB-5nyyA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 PHE A  49
GLU A  54
VAL A  57
TRP A  56
 None
 0.98A 5vvdA-5vyoA:
0.4
5vvdB-5vyoA:
undetectable		 5vvdA-5vyoA:
12.05
5vvdB-5vyoA:
12.05
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.
5xxu RIBOSOMAL PROTEIN
ES28
RIBOSOMAL PROTEIN
US7

(Toxoplasma
gondii) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 PHE F  49
GLU c  51
VAL c  12
ARG F  48
 None
None
None
C  21613 ( 4.4A)
 1.46A 5vvdA-5xxuF:
undetectable
5vvdB-5xxuF:
undetectable		 5vvdA-5xxuF:
18.58
5vvdB-5xxuF:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 PHE F  50
GLU c  51
VAL c  16
ARG F  49
 None
None
None
C  21421 ( 4.4A)
 0.99A 5vvdA-5xyiF:
undetectable
5vvdB-5xyiF:
undetectable		 5vvdA-5xyiF:
18.69
5vvdB-5xyiF:
18.69
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 4 TRP A 137
PHE A 134
GLU A 132
VAL A 128
 None
 1.26A 5vvdA-6ci7A:
undetectable
5vvdB-6ci7A:
undetectable		 5vvdA-6ci7A:
11.06
5vvdB-6ci7A:
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.
6gk6 -

(-) 		no annotation 4 TRP A  45
TRP A 297
GLU A 313
VAL A 309
 None
 1.33A 5vvdA-6gk6A:
undetectable
5vvdB-6gk6A:
undetectable		 5vvdA-6gk6A:
undetectable
5vvdB-6gk6A:
undetectable