SIMILAR PATTERNS OF AMINO ACIDS FOR 1VE3_A_SAMA302

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B 102
GLY B 104
ALA B 509
ILE B 100
SER B  34
 None
 1.00A 1ve3A-1a6dB:
undetectable		 1ve3A-1a6dB:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ALA B 102
ILE B 513
ALA B 509
ILE B 100
SER B  34
 None
 1.04A 1ve3A-1a6dB:
undetectable		 1ve3A-1a6dB:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A  75
GLY A  73
ILE A  44
ALA A  46
SER A  37
 None
 1.10A 1ve3A-1d6sA:
undetectable		 1ve3A-1d6sA:
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 ALA A   9
GLY A  12
SER A   9
ALA A  55
ILE A  15
 None
 1.18A 1ve3A-1eqwA:
undetectable		 1ve3A-1eqwA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR A 271
GLY A 175
ALA A 197
ILE A  75
HIS A 148
 None
 1.03A 1ve3A-1ethA:
undetectable		 1ve3A-1ethA:
19.38
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 165
GLY A 161
ALA A 169
ILE A 208
PHE A 332
 None
 1.15A 1ve3A-1f8wA:
4.2		 1ve3A-1f8wA:
19.43
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR A 270
GLY A 174
ALA A 196
ILE A  74
HIS A 147
 None
 1.10A 1ve3A-1gplA:
undetectable		 1ve3A-1gplA:
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.
1hpl LIPASE

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR A 270
GLY A 174
ALA A 196
ILE A  74
HIS A 147
 None
 1.10A 1ve3A-1hplA:
undetectable		 1ve3A-1hplA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		5 TYR A 109
ALA A 116
ILE A 118
ALA A 120
SER A 185
 None
 0.91A 1ve3A-1jaxA:
5.3		 1ve3A-1jaxA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jhz PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ALA A 251
GLY A 246
ILE A 249
ILE A 272
PHE A 283
 None
 1.16A 1ve3A-1jhzA:
undetectable		 1ve3A-1jhzA:
20.07
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.
1jqp DIPEPTIDYL PEPTIDASE
I

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 TYR A 315
ALA A 286
GLY A 290
ILE A 281
ILE A 435
 None
 1.18A 1ve3A-1jqpA:
undetectable		 1ve3A-1jqpA:
19.11
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 TYR A  16
GLY A  74
ILE A 136
HIS A 141
PHE A 142
 SAH  A1900 ( 4.2A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.2A)
SAH  A1900 (-4.4A)
SAH  A1900 ( 4.6A)
 1.03A 1ve3A-1kphA:
17.1		 1ve3A-1kphA:
23.49
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR B 270
GLY B 174
ALA B 196
ILE B  74
HIS B 147
 None
 1.09A 1ve3A-1lpbB:
undetectable		 1ve3A-1lpbB:
20.09
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 324
GLY A 320
ILE A 326
ALA A 328
ILE A  22
 None
 1.11A 1ve3A-1lvlA:
4.3		 1ve3A-1lvlA:
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.
1q1r PUTIDAREDOXIN
REDUCTASE

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ALA A 165
GLY A 161
SER A  49
ALA A 168
ILE A 208
 None
None
FAD  A 749 (-3.5A)
None
None
 1.19A 1ve3A-1q1rA:
4.0		 1ve3A-1q1rA:
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.
1qv0 OBELIN

(Obelia
longissima) 		PF00036
(EF-hand_1)
PF13202
(EF-hand_5) 		5 TYR A 190
ALA A 186
GLY A 188
ARG A 173
HIS A 175
 CZH  A 201 (-4.3A)
None
None
None
CZH  A 201 (-3.5A)
 1.09A 1ve3A-1qv0A:
undetectable		 1ve3A-1qv0A:
24.79
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 TYR A  16
GLY A  74
ILE A 136
HIS A 141
PHE A 142
 SAH  A1900 ( 4.1A)
SAH  A1900 (-3.3A)
SAH  A1900 (-3.6A)
16A  A1901 ( 4.2A)
SAH  A1900 (-4.6A)
 1.11A 1ve3A-1tpyA:
17.0		 1ve3A-1tpyA:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		6 ALA A  46
ILE A  68
SER A  69
ALA A  94
ARG A  95
ILE A 108
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.3A)
None
None
 1.30A 1ve3A-1ve3A:
41.4		 1ve3A-1ve3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		12 TYR A   7
TYR A  13
ALA A  46
GLY A  48
ILE A  68
SER A  69
ALA A  94
ARG A  95
ILE A 110
SER A 112
HIS A 115
PHE A 116
 SAM  A 302 (-4.6A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.3A)
None
SAM  A 302 (-3.8A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
SAM  A 302 (-4.4A)
 0.02A 1ve3A-1ve3A:
41.4		 1ve3A-1ve3A:
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.
1via SHIKIMATE KINASE

(Campylobacter
jejuni) 		PF01202
(SKI) 		5 ALA A  79
GLY A  81
ALA A  21
ARG A  22
PHE A  32
 None
 1.13A 1ve3A-1viaA:
undetectable		 1ve3A-1viaA:
24.35
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		5 ALA A  50
GLY A  52
ALA A  99
HIS A 120
PHE A 121
 None
 1.01A 1ve3A-1vl5A:
20.4		 1ve3A-1vl5A:
26.47
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.
1y14 DNA-DIRECTED RNA
POLYMERASE II 32 KDA
POLYPEPTIDE

(Saccharomyces
cerevisiae) 		PF03874
(RNA_pol_Rpb4) 		5 ALA A 178
GLY A 181
SER A  53
ALA A  49
ILE A 195
 None
 1.07A 1ve3A-1y14A:
undetectable		 1ve3A-1y14A:
21.93
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.
2ado MEDIATOR OF DNA
DAMAGE CHECKPOINT
PROTEIN 1

(Homo sapiens) 		PF16770
(RTT107_BRCT_5) 		5 TYR A2025
GLY A2023
ALA A2074
ILE A2017
PHE A2064
 None
 0.98A 1ve3A-2adoA:
undetectable		 1ve3A-2adoA:
21.83
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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 ALA A 308
GLY A 333
SER A 245
ALA A 262
ILE A 305
 None
 1.20A 1ve3A-2du7A:
undetectable		 1ve3A-2du7A:
18.48
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		5 ALA A 289
ILE A 271
SER A 267
ALA A 274
ILE A 162
 None
 1.09A 1ve3A-2eguA:
2.8		 1ve3A-2eguA:
23.17
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.
2f9z CHEMOTAXIS PROTEIN
CHEC

(Thermotoga
maritima) 		PF04509
(CheC) 		5 GLY A  80
SER A 183
ALA A  53
ILE A  59
PHE A 149
 None
 0.94A 1ve3A-2f9zA:
undetectable		 1ve3A-2f9zA:
22.69
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 ALA A 184
ILE A 136
ALA A 181
SER A 377
PHE A 385
 None
 1.08A 1ve3A-2i0zA:
3.2		 1ve3A-2i0zA:
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 394
ALA A 397
ARG A 308
HIS A 392
PHE A 409
 None
 1.07A 1ve3A-2j6lA:
4.4		 1ve3A-2j6lA:
19.00
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		5 GLY A 151
ILE A 180
ALA A 176
ARG A 177
ILE A 306
 PO4  A 401 (-3.6A)
None
None
None
None
 1.18A 1ve3A-2o0mA:
undetectable		 1ve3A-2o0mA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ALA A  18
GLY A  14
SER A  10
ALA A  46
ARG A  47
 None
 0.99A 1ve3A-2ph3A:
6.2		 1ve3A-2ph3A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 227
ILE A 254
ALA A 252
ILE A 164
PHE A 315
 None
 1.19A 1ve3A-2vxyA:
3.5		 1ve3A-2vxyA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xen NI1C MUT4

(synthetic
construct) 		PF13857
(Ank_5) 		5 ALA A  55
GLY A  58
ILE A  86
ALA A  83
ILE A  62
 None
None
None
None
EDO  A1104 ( 4.9A)
 1.05A 1ve3A-2xenA:
undetectable		 1ve3A-2xenA:
18.72
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 ALA A 265
GLY A 267
SER A 217
ALA A 224
PHE A 262
 None
MES  A 504 (-3.3A)
MES  A 504 ( 2.7A)
None
None
 1.12A 1ve3A-2zm2A:
undetectable		 1ve3A-2zm2A:
19.10
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		6 GLY A  71
ILE A  92
SER A  93
ALA A 120
SER A 138
HIS A 141
 SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
None
SAH  A 274 (-3.5A)
None
SAH  A 274 (-4.0A)
 0.92A 1ve3A-3busA:
18.5		 1ve3A-3busA:
25.09
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 ALA A  46
GLY A  48
SER A  69
ARG A  91
SER A 108
 SAM  A 238 (-3.2A)
SAM  A 238 ( 3.7A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.1A)
SAM  A 238 (-3.2A)
 0.57A 1ve3A-3bxoA:
19.9		 1ve3A-3bxoA:
25.29
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.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		5 ALA A 106
GLY A  72
ALA A 149
HIS A  94
PHE A  91
 None
None
None
EDO  A 302 ( 3.7A)
None
 1.04A 1ve3A-3cnyA:
undetectable		 1ve3A-3cnyA:
23.23
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.
3dw8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
55 KDA REGULATORY
SUBUNIT B ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 ALA B  28
GLY B  50
ILE B  30
SER B  32
ALA B  26
 None
 1.09A 1ve3A-3dw8B:
undetectable		 1ve3A-3dw8B:
18.61
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  43
SER A  64
ALA A  84
ILE A 100
HIS A 105
 EDO  A 261 ( 3.9A)
None
None
None
EDO  A 261 ( 4.6A)
 0.80A 1ve3A-3egeA:
16.1		 1ve3A-3egeA:
27.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		5 TYR A 180
ALA A 176
ALA A 252
ILE A 123
HIS A 246
 NAD  A 341 (-4.5A)
None
None
None
None
 1.12A 1ve3A-3enkA:
7.5		 1ve3A-3enkA:
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.
3eno PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00814
(Peptidase_M22) 		5 TYR A 282
ALA A 291
GLY A 287
ALA A 294
ILE A  17
 None
 1.19A 1ve3A-3enoA:
undetectable		 1ve3A-3enoA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 TYR B 314
ILE B 190
ALA B 168
ILE B 521
HIS B 300
 None
 1.17A 1ve3A-3hkzB:
undetectable		 1ve3A-3hkzB:
12.19
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.
3ico 6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacterium
tuberculosis) 		PF01182
(Glucosamine_iso) 		5 TYR A 123
GLY A  70
ALA A  87
ARG A  88
ILE A  38
 None
 1.13A 1ve3A-3icoA:
undetectable		 1ve3A-3icoA:
19.93
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.
3kd9 COENZYME A DISULFIDE
REDUCTASE

(Pyrococcus
horikoshii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 168
GLY A 171
ALA A 164
HIS A 203
PHE A 330
 None
 1.13A 1ve3A-3kd9A:
4.2		 1ve3A-3kd9A:
19.91
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.
3lib HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE

(Methanosarcina
mazei) 		PF02743
(dCache_1) 		5 TYR A 155
GLY A 196
SER A  72
ALA A  86
PHE A 131
 None
 0.94A 1ve3A-3libA:
undetectable		 1ve3A-3libA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ALA A 387
ILE A 444
ALA A 389
ARG A 445
ILE A 370
 None
 1.00A 1ve3A-3m1lA:
7.1		 1ve3A-3m1lA:
18.49
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		6 TYR A 322
ALA A 328
GLY A 324
ILE A 294
SER A 301
ALA A 331
 None
 1.46A 1ve3A-3oksA:
undetectable		 1ve3A-3oksA:
19.35
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.
3oms PHNB PROTEIN

(Bacillus cereus) 		PF06983
(3-dmu-9_3-mt) 		5 ALA A  18
GLY A  16
ILE A  66
SER A  68
ALA A  54
 None
 1.01A 1ve3A-3omsA:
undetectable		 1ve3A-3omsA:
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.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 TYR A 316
ALA A 287
GLY A 291
ILE A 282
ILE A 436
 None
 1.18A 1ve3A-3pdfA:
undetectable		 1ve3A-3pdfA:
18.04
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 ALA A  58
GLY A  60
SER A  81
ARG A 103
SER A 120
 SAH  A 263 (-3.5A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 ( 4.7A)
SAH  A 263 (-3.3A)
 0.39A 1ve3A-3px2A:
19.7		 1ve3A-3px2A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		6 TYR A 323
ALA A 329
GLY A 325
ILE A 295
SER A 302
ALA A 332
 None
 1.46A 1ve3A-3q8nA:
undetectable		 1ve3A-3q8nA:
16.92
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 ALA A 120
GLY A 116
ALA A 124
ILE A 103
PHE A  64
 None
 1.14A 1ve3A-3qhbA:
undetectable		 1ve3A-3qhbA:
22.88
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.
3s8m ENOYL-ACP REDUCTASE

(Xanthomonas
oryzae) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ALA A  62
GLY A  64
ILE A  28
ALA A  98
PHE A  94
 None
 1.20A 1ve3A-3s8mA:
6.0		 1ve3A-3s8mA:
20.20
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		5 ALA A 225
ILE A 222
SER A 217
ALA A 252
ILE A 212
 None
 1.17A 1ve3A-3sdoA:
undetectable		 1ve3A-3sdoA:
19.38
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.
3toj SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2

(Homo sapiens) 		PF00622
(SPRY) 		5 TYR A 364
GLY A 345
SER A 473
ALA A 318
ILE A 396
 None
 1.04A 1ve3A-3tojA:
undetectable		 1ve3A-3tojA:
21.79
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.
3tqx 2-AMINO-3-KETOBUTYRA
TE COENZYME A LIGASE

(Coxiella
burnetii) 		PF00155
(Aminotran_1_2) 		5 TYR A 106
GLY A 238
ILE A 235
ALA A 177
PHE A 117
 None
 1.16A 1ve3A-3tqxA:
3.0		 1ve3A-3tqxA:
21.04
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 ALA A1012
GLY A1008
ALA A1016
ILE A 934
SER A 937
 None
 0.96A 1ve3A-3w9iA:
undetectable		 1ve3A-3w9iA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ALA A  62
GLY A  64
ILE A  28
ALA A  98
PHE A  94
 None
 1.19A 1ve3A-3zu4A:
6.0		 1ve3A-3zu4A:
20.63
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 TYR A 250
ALA A 231
GLY A 236
ILE A 217
ALA A 219
 None
 1.14A 1ve3A-4a2lA:
undetectable		 1ve3A-4a2lA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		6 TYR A 325
ALA A 331
GLY A 327
ILE A 297
SER A 304
ALA A 334
 None
 1.47A 1ve3A-4atqA:
undetectable		 1ve3A-4atqA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 TYR A 227
ALA A 245
GLY A 223
SER A 238
SER A 247
 EDO  A1370 ( 4.7A)
None
None
None
EDO  A1370 (-3.9A)
 1.13A 1ve3A-4aukA:
10.7		 1ve3A-4aukA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		5 ALA A 396
ILE A 401
SER A 402
ALA A 428
ILE A 378
 None
 1.12A 1ve3A-4berA:
undetectable		 1ve3A-4berA:
19.40
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.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 GLY A 250
ILE A 108
SER A 105
ALA A 111
ILE A  98
 PLP  A1240 ( 4.9A)
None
PLP  A1240 (-2.4A)
None
None
 1.18A 1ve3A-4cvqA:
3.2		 1ve3A-4cvqA:
20.51
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.
4euf PUTATIVE REDUCTASE
CA_C0462

(Clostridium
acetobutylicum) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ALA A  61
GLY A  63
ILE A  28
ALA A  98
PHE A  94
 None
 1.12A 1ve3A-4eufA:
5.6		 1ve3A-4eufA:
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 TYR A4346
ALA A4572
SER A4394
ALA A4576
HIS A4568
 None
 1.18A 1ve3A-4opeA:
undetectable		 1ve3A-4opeA:
15.79
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.
4p79 CLAUDIN-15

(Mus musculus) 		PF00822
(PMP22_Claudin) 		5 ALA A 127
GLY A 131
ILE A  86
ILE A 173
SER A 172
 None
None
OLC  A 201 ( 4.5A)
None
None
 1.05A 1ve3A-4p79A:
undetectable		 1ve3A-4p79A:
20.33
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.
4p9j RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		no annotation 5 TYR C1122
GLY C1103
SER C1193
ALA C1077
ILE C1153
 None
 1.13A 1ve3A-4p9jC:
undetectable		 1ve3A-4p9jC:
22.47
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.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 ALA A 519
GLY A 505
ALA A 517
ILE A 583
SER A 579
 None
 1.13A 1ve3A-4qdrA:
undetectable		 1ve3A-4qdrA:
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.
4r1u CINNAMOYL COA
REDUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 TYR A 152
ALA A 159
GLY A 155
ALA A 163
PHE A 115
 None
 1.20A 1ve3A-4r1uA:
5.9		 1ve3A-4r1uA:
23.03
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.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 196
GLY A 194
ALA A 200
ILE A 329
HIS A 335
 None
 1.10A 1ve3A-4rjkA:
undetectable		 1ve3A-4rjkA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		5 ALA A  55
GLY A  75
ILE A  57
SER A  58
ILE A  85
 None
 1.12A 1ve3A-4u4eA:
undetectable		 1ve3A-4u4eA:
18.49
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.
4wat PFRH5

(Plasmodium
falciparum) 		no annotation 5 GLY A 336
ILE A 193
SER A 192
ALA A 205
ILE A 213
 None
 1.17A 1ve3A-4watA:
undetectable		 1ve3A-4watA:
18.02
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.
4x8n SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2

(Homo sapiens) 		PF00622
(SPRY) 		5 TYR A 364
GLY A 345
SER A 473
ALA A 318
ILE A 396
 None
 1.05A 1ve3A-4x8nA:
undetectable		 1ve3A-4x8nA:
21.36
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 2
ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF04084
(ORC2)
PF07034
(ORC3_N) 		5 ALA C 138
SER C 134
ALA C 142
ARG C 180
HIS B 412
 None
 1.14A 1ve3A-4xgcC:
2.2		 1ve3A-4xgcC:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 GLY A 305
ILE A 260
SER A 259
ALA A 309
ILE A 332
 None
 1.17A 1ve3A-4xukA:
undetectable		 1ve3A-4xukA:
22.11
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.
4zch TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B

(Homo sapiens) 		PF00229
(TNF) 		5 ALA A 256
GLY A 205
SER A 105
ILE A 203
PHE A 353
 None
 1.15A 1ve3A-4zchA:
undetectable		 1ve3A-4zchA:
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.
5c5b DCC-INTERACTING
PROTEIN 13-BETA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		5 ALA B 136
GLY B 134
ALA B 170
ARG B 171
SER B 177
 None
 1.10A 1ve3A-5c5bB:
undetectable		 1ve3A-5c5bB:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  66
SER Z  85
ALA Z 106
ILE Z 122
PHE Z 128
 None
 0.82A 1ve3A-5cm2Z:
17.7		 1ve3A-5cm2Z:
22.88
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		6 GLY A  87
SER A 109
ALA A 136
ILE A 152
SER A 154
HIS A 157
 SAH  A 301 (-3.1A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.4A)
SAH  A 301 ( 4.3A)
 0.80A 1ve3A-5gm2A:
18.6		 1ve3A-5gm2A:
25.25
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.
5hb3 NUCLEOPORIN NIC96

(Chaetomium
thermophilum) 		PF04097
(Nic96) 		5 ALA A 878
GLY A 882
ALA A 874
ILE A 903
PHE A 833
 None
 1.18A 1ve3A-5hb3A:
undetectable		 1ve3A-5hb3A:
14.75
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 156
GLY A 158
ALA A 183
ILE A 115
PHE A 313
 None
 1.03A 1ve3A-5jd4A:
undetectable		 1ve3A-5jd4A:
19.88
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A  77
ILE A  81
ALA A 286
ILE A 115
HIS A  56
 None
NAD  A 901 (-3.8A)
None
None
None
 1.12A 1ve3A-5jydA:
6.5		 1ve3A-5jydA:
21.09
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.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 GLY A 532
ILE A 527
ALA A 525
ILE A 279
SER A 281
 None
 0.90A 1ve3A-5lj6A:
undetectable		 1ve3A-5lj6A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 GLY A 533
ILE A 527
ALA A 525
ILE A 279
SER A 281
 None
 1.11A 1ve3A-5lj6A:
undetectable		 1ve3A-5lj6A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mi0 RETICULOCYTE
BINDING-LIKE PROTEIN
5,RETICULOCYTE
BINDING PROTEIN 5

(Plasmodium
falciparum) 		no annotation 5 GLY A 336
ILE A 193
SER A 192
ALA A 205
ILE A 213
 None
 1.13A 1ve3A-5mi0A:
undetectable		 1ve3A-5mi0A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nop ATTACHMENT
GLYCOPROTEIN

(Mojiang
henipavirus) 		PF00423
(HN) 		5 GLY A 352
ILE A 355
ALA A 289
ILE A 580
SER A 567
 None
 1.03A 1ve3A-5nopA:
undetectable		 1ve3A-5nopA:
18.72
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		5 ALA B 165
GLY B 163
ILE B 167
ILE B 207
HIS B 170
 None
 1.04A 1ve3A-5osnB:
undetectable		 1ve3A-5osnB:
20.38
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 6 ALA A  54
GLY A  56
ILE A  83
SER A  84
ALA A 110
PHE A 132
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.9A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-4.6A)
 0.82A 1ve3A-5w7kA:
19.5		 1ve3A-5w7kA:
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 6 TYR A  20
ALA A  54
ILE A  83
SER A  84
ALA A 110
PHE A 132
 SAH  A 301 (-4.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.9A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-4.6A)
 1.07A 1ve3A-5w7kA:
19.5		 1ve3A-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 ALA A  54
GLY A  56
ILE A  83
SER A  84
ALA A 110
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
None
SAH  A 301 (-3.5A)
 0.31A 1ve3A-5w7mA:
19.3		 1ve3A-5w7mA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 ALA A  54
GLY A  56
ILE A  83
SER A  84
PHE A 132
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
None
SAH  A 301 (-4.5A)
 0.75A 1ve3A-5w7mA:
19.3		 1ve3A-5w7mA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 TYR A  20
ALA A  54
ILE A  83
SER A  84
ALA A 110
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
None
SAH  A 301 (-3.5A)
 0.76A 1ve3A-5w7mA:
19.3		 1ve3A-5w7mA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 TYR A  20
ALA A  54
ILE A  83
SER A  84
PHE A 132
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
None
SAH  A 301 (-4.5A)
 1.18A 1ve3A-5w7mA:
19.3		 1ve3A-5w7mA:
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 5 GLY C 476
ILE C 456
SER C 452
ALA C 459
SER C 518
 None
 1.15A 1ve3A-5wqlC:
undetectable		 1ve3A-5wqlC:
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 5 TYR A 246
ALA A 253
GLY A 249
ALA A 257
ILE A  15
 None
 1.05A 1ve3A-5wt4A:
undetectable		 1ve3A-5wt4A:
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 ALA A 151
ILE A 147
ILE A  65
SER A  67
PHE A  69
 None
 1.07A 1ve3A-5wugA:
2.9		 1ve3A-5wugA:
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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 5 ALA A 141
GLY A 121
ILE A 247
ALA A 249
ILE A 147
 None
 1.17A 1ve3A-5xb6A:
undetectable		 1ve3A-5xb6A:
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		5 TYR A  82
ALA A 306
GLY A 319
ILE A 309
SER A  74
 None
 1.12A 1ve3A-5y1iA:
undetectable		 1ve3A-5y1iA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
MBH13 NADH
DEHYDROGENASE
SUBUNIT

(Pyrococcus
furiosus;
Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation
no annotation 		5 TYR M 125
ALA M 215
GLY M 217
SER J  62
HIS L  16
 None
 1.19A 1ve3A-6cfwM:
undetectable		 1ve3A-6cfwM:
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 5 ALA A 129
GLY A 131
ARG A  37
ILE A 100
PHE A  69
 None
 1.05A 1ve3A-6ei3A:
undetectable		 1ve3A-6ei3A:
17.90
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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 GLY A 132
ILE A  88
ALA A  86
ILE A  78
SER A  81
 None
None
None
None
OLC  A 502 (-4.5A)
 1.01A 1ve3A-6exsA:
undetectable		 1ve3A-6exsA:
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 TYR A 429
ARG A 317
ASP A  58
ASP A 120
 None
BGC  A6003 (-2.7A)
None
None
 1.39A 1ve3A-1js4A:
0.0		 1ve3A-1js4A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 TYR A 425
ARG A 315
ASP A  58
ASP A 120
 None
None
CBI  A 777 ( 4.2A)
None
 1.38A 1ve3A-1k72A:
undetectable		 1ve3A-1k72A:
14.03
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 TYR A  15
ARG A 419
ASP A  64
ASP A 106
 None
 1.40A 1ve3A-1uokA:
0.0		 1ve3A-1uokA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 TYR A  21
ARG A  24
ASP A  67
ASP A  93
 SAM  A 302 (-4.7A)
SAM  A 302 (-3.1A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.4A)
 0.03A 1ve3A-1ve3A:
41.4		 1ve3A-1ve3A:
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.
2b81 LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		4 TYR A 216
ARG A 219
ASP A 135
ASP A  67
 SO4  A2448 (-4.5A)
SO4  A2448 (-3.5A)
None
None
 1.28A 1ve3A-2b81A:
0.1		 1ve3A-2b81A:
22.62
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.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 TYR A 501
ARG A 394
ASP A 119
ASP A 186
 None
 1.49A 1ve3A-2yikA:
0.0		 1ve3A-2yikA:
14.87
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.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 303
ARG A 383
ASP A 315
ASP A 369
 None
014  A 417 (-3.1A)
FE2  A 600 ( 2.5A)
None
 1.28A 1ve3A-3ouhA:
0.3		 1ve3A-3ouhA:
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.
3oui EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 TYR A 303
ARG A 383
ASP A 315
ASP A 369
 None
42Z  A 393 (-2.9A)
FE2  A   1 ( 2.5A)
None
 1.29A 1ve3A-3ouiA:
0.8		 1ve3A-3ouiA:
20.40
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.
3tht ALKYLATED DNA REPAIR
PROTEIN ALKB HOMOLOG
8

(Homo sapiens) 		PF00076
(RRM_1)
PF13532
(2OG-FeII_Oxy_2) 		4 TYR A 229
ARG A 328
ASP A 240
ASP A 247
 AKG  A 403 (-4.4A)
AKG  A 403 (-3.2A)
MN  A 402 ( 2.6A)
None
 1.28A 1ve3A-3thtA:
0.0		 1ve3A-3thtA:
20.18
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		4 TYR A  21
ARG A  20
ASP A 105
ASP A  80
 None
 1.35A 1ve3A-4qnyA:
undetectable		 1ve3A-4qnyA:
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 477
ARG A 450
ASP A 600
ASP A 626
 None
 1.49A 1ve3A-4wjlA:
undetectable		 1ve3A-4wjlA:
16.85
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 TYR A 440
ARG A 329
ASP A  79
ASP A 140
 None
BGC  A 709 ( 2.8A)
BGC  A 710 ( 4.5A)
None
 1.40A 1ve3A-5gy0A:
undetectable		 1ve3A-5gy0A:
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 858
ARG A 867
ASP A 376
ASP A 411
 None
 1.37A 1ve3A-5jm0A:
0.8		 1ve3A-5jm0A:
12.83
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 TYR A 858
ARG A 867
ASP A 376
ASP A 627
 None
 1.26A 1ve3A-5jm0A:
0.8		 1ve3A-5jm0A:
12.83
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 TYR A 960
ARG A 958
ASP A 362
ASP A 880
 None
 1.39A 1ve3A-5mzoA:
undetectable		 1ve3A-5mzoA:
10.93
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		4 TYR A 229
ARG A 233
ASP A 241
ASP A   8
 None
None
BDR  A 402 ( 2.5A)
None
 1.26A 1ve3A-5tsqA:
2.7		 1ve3A-5tsqA:
20.67