SIMILAR PATTERNS OF AMINO ACIDS FOR 2A58_B_RBFB301

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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 177
LEU A 240
HIS A 172
ALA A 182
GLY A 101
 None
 1.33A 2a58A-1b3nA:
undetectable
2a58B-1b3nA:
undetectable		 2a58A-1b3nA:
17.59
2a58B-1b3nA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c41 LUMAZINE SYNTHASE

(Magnaporthe
grisea) 		PF00885
(DMRL_synthase) 		6 GLY A  58
SER A  59
TRP A  60
GLU A  61
LEU A 120
HIS A 127
 LMZ  A 201 (-2.9A)
LMZ  A 201 (-2.5A)
None
LMZ  A 201 (-2.6A)
LMZ  A 201 (-3.8A)
LMZ  A 201 ( 3.8A)
 0.48A 2a58A-1c41A:
26.5
2a58B-1c41A:
26.4		 2a58A-1c41A:
47.00
2a58B-1c41A:
47.00
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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		5 ILE A 286
LEU A 285
HIS A 282
GLY A 301
SER A 350
 None
None
None
NA  A1378 ( 4.0A)
None
 1.24A 2a58A-1f6dA:
3.5
2a58B-1f6dA:
3.5		 2a58A-1f6dA:
18.64
2a58B-1f6dA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 301
LEU A 300
ALA A  30
GLY A 294
SER A 295
 None
None
FAD  A 600 ( 4.8A)
FAD  A 600 ( 3.8A)
None
 1.10A 2a58A-1gpeA:
2.1
2a58B-1gpeA:
3.4		 2a58A-1gpeA:
13.53
2a58B-1gpeA:
13.53
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 ILE A 214
ALA A 260
GLY A 239
SER A 240
LEU A  32
 None
None
None
SO4  A 622 (-2.6A)
None
 1.22A 2a58A-1gq1A:
undetectable
2a58B-1gq1A:
undetectable		 2a58A-1gq1A:
14.94
2a58B-1gq1A:
14.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hqk 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Aquifex
aeolicus) 		PF00885
(DMRL_synthase) 		6 GLY A  55
SER A  56
TRP A  57
GLU A  58
LEU A  81
HIS A  88
 None
 0.27A 2a58A-1hqkA:
24.3
2a58B-1hqkA:
24.2		 2a58A-1hqkA:
37.89
2a58B-1hqkA:
37.89
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.
1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB

(Thermotoga
maritima) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 ILE A  71
HIS A  80
ALA A  68
GLY A 155
LEU A 122
 None
 1.31A 2a58A-1in8A:
undetectable
2a58B-1in8A:
undetectable		 2a58A-1in8A:
20.96
2a58B-1in8A:
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 ILE A 266
HIS A 326
ALA A 319
TYR A 258
GLY A 259
 None
 1.22A 2a58A-1jxkA:
undetectable
2a58B-1jxkA:
undetectable		 2a58A-1jxkA:
16.04
2a58B-1jxkA:
16.04
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 LEU A 223
ALA A  88
GLY A 199
SER A 217
GLU A 220
 None
 1.25A 2a58A-1k25A:
undetectable
2a58B-1k25A:
undetectable		 2a58A-1k25A:
14.31
2a58B-1k25A:
14.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		6 GLY A  61
SER A  62
TRP A  63
GLU A  64
LEU A  87
HIS A  94
 None
 0.17A 2a58A-1kz1A:
29.7
2a58B-1kz1A:
29.7		 2a58A-1kz1A:
99.37
2a58B-1kz1A:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 ILE A 118
LEU A 119
HIS A 142
TRP A 146
ALA A 149
 None
 0.25A 2a58A-1kz1A:
29.7
2a58B-1kz1A:
29.7		 2a58A-1kz1A:
99.37
2a58B-1kz1A:
99.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 ILE A 128
ALA A 188
GLY A 190
SER A 191
GLU A 156
 None
 1.27A 2a58A-1m68A:
undetectable
2a58B-1m68A:
undetectable		 2a58A-1m68A:
20.45
2a58B-1m68A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 ILE A  68
LEU A  67
GLY A  13
SER A  12
LEU A 104
 None
 1.31A 2a58A-1oy1A:
4.3
2a58B-1oy1A:
4.3		 2a58A-1oy1A:
20.26
2a58B-1oy1A:
20.26
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.
1q7s BIT1

(Homo sapiens) 		PF01981
(PTH2) 		5 LEU A 142
HIS A  88
GLY A 154
SER A 155
LEU A  75
 None
 1.21A 2a58A-1q7sA:
2.5
2a58B-1q7sA:
2.5		 2a58A-1q7sA:
25.66
2a58B-1q7sA:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ru4 PECTATE LYASE

(Dickeya
chrysanthemi) 		PF13229
(Beta_helix) 		5 ILE A  76
LEU A  77
ALA A  66
GLY A  54
SER A  55
 None
 0.88A 2a58A-1ru4A:
undetectable
2a58B-1ru4A:
undetectable		 2a58A-1ru4A:
18.75
2a58B-1ru4A:
18.75
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.
1sq4 GLYOXYLATE-INDUCED
PROTEIN

(Pseudomonas
aeruginosa) 		PF07883
(Cupin_2) 		5 ILE A  33
TYR A   7
GLY A 237
LEU A 219
HIS A 139
 None
 1.31A 2a58A-1sq4A:
undetectable
2a58B-1sq4A:
undetectable		 2a58A-1sq4A:
21.86
2a58B-1sq4A:
21.86
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B  34
ALA B 222
GLY B 252
GLU B 202
LEU B  26
 None
 1.14A 2a58A-1t3qB:
undetectable
2a58B-1t3qB:
undetectable		 2a58A-1t3qB:
11.99
2a58B-1t3qB:
11.99
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.
1unf IRON SUPEROXIDE
DISMUTASE

(Vigna
unguiculata) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ILE X 194
ALA X 145
GLY X 143
SER X 142
HIS X  43
 None
None
None
None
FE  X1239 (-3.3A)
 1.25A 2a58A-1unfX:
undetectable
2a58B-1unfX:
undetectable		 2a58A-1unfX:
23.58
2a58B-1unfX:
23.58
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.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		5 ILE A 204
LEU A 205
ALA A 148
GLY A 146
LEU A  75
 None
 1.22A 2a58A-1v93A:
2.1
2a58B-1v93A:
undetectable		 2a58A-1v93A:
20.96
2a58B-1v93A:
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ILE A 238
ALA A 270
GLY A 173
SER A 174
LEU A 229
 None
None
None
PLP  A 413 ( 3.9A)
None
 1.20A 2a58A-1ve1A:
2.3
2a58B-1ve1A:
2.4		 2a58A-1ve1A:
22.70
2a58B-1ve1A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		5 LEU A 206
TYR A 156
GLY A 175
SER A 176
GLU A 208
 None
NA  A5301 ( 4.6A)
ACT  A5302 ( 4.1A)
None
NA  A5301 ( 4.9A)
 1.16A 2a58A-1xfgA:
undetectable
2a58B-1xfgA:
undetectable		 2a58A-1xfgA:
23.89
2a58B-1xfgA:
23.89
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 ILE A 383
LEU A 382
ALA A 202
GLY A 378
SER A 379
 None
 1.03A 2a58A-1xzqA:
4.7
2a58B-1xzqA:
4.7		 2a58A-1xzqA:
17.86
2a58B-1xzqA:
17.86
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.
1y63 LMAJ004144AAA
PROTEIN

(Leishmania
major) 		PF13238
(AAA_18) 		5 ILE A  15
LEU A  14
HIS A  86
ALA A  27
LEU A  72
 None
None
MN  A 354 (-3.5A)
None
None
 1.19A 2a58A-1y63A:
4.2
2a58B-1y63A:
4.2		 2a58A-1y63A:
20.41
2a58B-1y63A:
20.41
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.
1ytq BETA CRYSTALLIN B2

(Homo sapiens) 		PF00030
(Crystall) 		5 ILE A  99
TYR A  61
GLY A  60
TRP A  58
LEU A  40
 None
 1.31A 2a58A-1ytqA:
undetectable
2a58B-1ytqA:
undetectable		 2a58A-1ytqA:
20.75
2a58B-1ytqA:
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.
1yuz NIGERYTHRIN

(Desulfovibrio
vulgaris) 		PF02915
(Rubrerythrin) 		5 ILE A 116
ALA A 153
TYR A  47
GLY A 111
SER A 110
 None
 1.16A 2a58A-1yuzA:
undetectable
2a58B-1yuzA:
undetectable		 2a58A-1yuzA:
22.49
2a58B-1yuzA:
22.49
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.
1zgg PUTATIVE LOW
MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE YWLE

(Bacillus
subtilis) 		PF01451
(LMWPc) 		5 ILE A   4
LEU A  81
HIS A  87
ALA A  37
LEU A 134
 None
 1.17A 2a58A-1zggA:
2.5
2a58B-1zggA:
2.5		 2a58A-1zggA:
23.89
2a58B-1zggA:
23.89
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.
2asu HEPATOCYTE GROWTH
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE B 587
LEU B 511
ALA B 666
GLY B 663
LEU B 498
 None
 0.92A 2a58A-2asuB:
undetectable
2a58B-2asuB:
undetectable		 2a58A-2asuB:
23.24
2a58B-2asuB:
23.24
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 ILE A 260
LEU A 257
ALA A 264
GLY A 206
TRP A 201
 None
 1.29A 2a58A-2b2iA:
undetectable
2a58B-2b2iA:
undetectable		 2a58A-2b2iA:
18.78
2a58B-2b2iA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 LEU A 197
ALA A 227
GLY A 252
SER A 251
HIS A 305
 None
 1.22A 2a58A-2b2iA:
undetectable
2a58B-2b2iA:
undetectable		 2a58A-2b2iA:
18.78
2a58B-2b2iA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c20 UDP-GLUCOSE
4-EPIMERASE

(Bacillus
anthracis) 		PF01370
(Epimerase) 		5 ILE A 192
LEU A 194
ALA A 173
GLU A 183
LEU A  79
 None
None
None
ZN  A 601 (-2.9A)
None
 1.26A 2a58A-2c20A:
2.8
2a58B-2c20A:
2.6		 2a58A-2c20A:
22.58
2a58B-2c20A:
22.58
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.
2fzl DNA REPAIR PROTEIN
RAD25, XPB

(Archaeoglobus
fulgidus) 		PF16203
(ERCC3_RAD25_C) 		5 ILE A 418
LEU A 450
ALA A 425
GLY A 423
SER A 422
 None
 1.12A 2a58A-2fzlA:
undetectable
2a58B-2fzlA:
undetectable		 2a58A-2fzlA:
21.17
2a58B-2fzlA:
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.
2ixf ANTIGEN PEPTIDE
TRANSPORTER 1

(Rattus
norvegicus) 		PF00005
(ABC_tran) 		5 LEU A 546
HIS A 555
ALA A 472
GLY A 469
SER A 468
 None
 1.15A 2a58A-2ixfA:
undetectable
2a58B-2ixfA:
undetectable		 2a58A-2ixfA:
19.93
2a58B-2ixfA:
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.
2o2z HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01933
(UPF0052) 		5 ILE A 249
LEU A 250
HIS A 252
ALA A 230
HIS A 301
 None
None
None
None
NAD  A 400 (-3.6A)
 1.26A 2a58A-2o2zA:
3.1
2a58B-2o2zA:
3.1		 2a58A-2o2zA:
20.12
2a58B-2o2zA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 ILE A 224
LEU A 223
GLY A 142
SER A 143
LEU A 330
 None
 1.00A 2a58A-2olgA:
undetectable
2a58B-2olgA:
undetectable		 2a58A-2olgA:
20.71
2a58B-2olgA:
20.71
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.
2reb REC A

(Escherichia
coli) 		PF00154
(RecA) 		5 ILE A  40
LEU A  56
ALA A  82
GLY A  43
SER A  44
 None
 0.92A 2a58A-2rebA:
undetectable
2a58B-2rebA:
undetectable		 2a58A-2rebA:
20.25
2a58B-2rebA:
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.
2rfg DIHYDRODIPICOLINATE
SYNTHASE

(Hahella
chejuensis) 		PF00701
(DHDPS) 		5 ILE A   7
LEU A   6
ALA A 206
GLY A 214
LEU A 221
 None
 1.01A 2a58A-2rfgA:
undetectable
2a58B-2rfgA:
undetectable		 2a58A-2rfgA:
20.49
2a58B-2rfgA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Thermus
thermophilus) 		PF09488
(Osmo_MPGsynth) 		5 ILE A 149
LEU A 150
GLY A 143
SER A 142
GLU A 146
 None
None
GDD  A 400 (-3.1A)
GDD  A 400 ( 4.9A)
None
 1.22A 2a58A-2wvlA:
2.2
2a58B-2wvlA:
2.2		 2a58A-2wvlA:
18.60
2a58B-2wvlA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ILE A 459
LEU A 227
ALA A 503
SER A 224
LEU A 464
 None
 1.13A 2a58A-2xaxA:
undetectable
2a58B-2xaxA:
undetectable		 2a58A-2xaxA:
13.39
2a58B-2xaxA:
13.39
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 ILE A 200
LEU A 199
GLY A 278
SER A 277
GLU A 192
 None
 1.11A 2a58A-2xmrA:
undetectable
2a58B-2xmrA:
undetectable		 2a58A-2xmrA:
20.76
2a58B-2xmrA:
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 ILE A 271
LEU A 270
ALA A 208
GLY A 266
SER A 267
 None
 1.01A 2a58A-3ajaA:
4.5
2a58B-3ajaA:
4.5		 2a58A-3ajaA:
21.16
2a58B-3ajaA:
21.16
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ILE A 551
LEU A 332
ALA A 514
SER A 525
LEU A 341
 None
 1.32A 2a58A-3auoA:
undetectable
2a58B-3auoA:
undetectable		 2a58A-3auoA:
15.71
2a58B-3auoA:
15.71
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 ILE A 160
LEU A 155
ALA A 188
GLY A 182
HIS A 150
 None
None
None
None
ZN  A 301 (-3.1A)
 1.15A 2a58A-3cjpA:
undetectable
2a58B-3cjpA:
undetectable		 2a58A-3cjpA:
21.09
2a58B-3cjpA:
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 ILE A1040
LEU A1056
ALA A1082
GLY A1043
SER A1044
 None
 1.03A 2a58A-3cmvA:
2.3
2a58B-3cmvA:
2.3		 2a58A-3cmvA:
8.33
2a58B-3cmvA:
8.33
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 ILE A2040
LEU A2056
ALA A2082
GLY A2043
SER A2044
 None
 0.99A 2a58A-3cmvA:
2.3
2a58B-3cmvA:
2.3		 2a58A-3cmvA:
8.33
2a58B-3cmvA:
8.33
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 ILE A 169
LEU A 195
GLY A 198
SER A 222
LEU A 250
 None
 1.25A 2a58A-3en0A:
undetectable
2a58B-3en0A:
2.0		 2a58A-3en0A:
21.31
2a58B-3en0A:
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		5 ILE A  70
TRP A  75
ALA A  15
GLY A 153
GLU A  18
 None
 1.15A 2a58A-3f5dA:
4.0
2a58B-3f5dA:
4.1		 2a58A-3f5dA:
22.49
2a58B-3f5dA:
22.49
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ILE A 325
ALA A 274
GLY A 271
SER A 200
GLU A 189
 None
 1.26A 2a58A-3fv3A:
undetectable
2a58B-3fv3A:
undetectable		 2a58A-3fv3A:
22.47
2a58B-3fv3A:
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ILE A  77
LEU A  76
HIS A   5
SER A  67
LEU A  37
 None
 1.30A 2a58A-3h2zA:
2.9
2a58B-3h2zA:
2.8		 2a58A-3h2zA:
17.66
2a58B-3h2zA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ILE a  13
LEU a  12
ALA a 116
GLY a 108
LEU a  40
 None
 1.06A 2a58A-3h4pa:
undetectable
2a58B-3h4pa:
undetectable		 2a58A-3h4pa:
22.92
2a58B-3h4pa:
22.92
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 ILE T 643
LEU T 642
ALA T 698
GLY T 675
LEU T 615
 None
 1.19A 2a58A-3icqT:
undetectable
2a58B-3icqT:
undetectable		 2a58A-3icqT:
10.37
2a58B-3icqT:
10.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3inp D-RIBULOSE-PHOSPHATE
3-EPIMERASE

(Francisella
tularensis) 		PF00834
(Ribul_P_3_epim) 		5 ILE A  10
LEU A  11
HIS A  68
GLY A  49
LEU A  46
 None
 1.30A 2a58A-3inpA:
undetectable
2a58B-3inpA:
undetectable		 2a58A-3inpA:
21.60
2a58B-3inpA:
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.
3k4u BINDING COMPONENT OF
ABC TRANSPORTER

(Wolinella
succinogenes) 		PF00497
(SBP_bac_3) 		5 ILE A 159
ALA A 124
GLY A  90
SER A 183
HIS A 179
 None
 1.19A 2a58A-3k4uA:
3.0
2a58B-3k4uA:
3.1		 2a58A-3k4uA:
20.82
2a58B-3k4uA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l06 N-ACETYLORNITHINE
CARBAMOYLTRANSFERASE

(Xanthomonas
campestris) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  26
HIS A 324
ALA A 331
GLY A  33
GLU A  35
 None
 1.21A 2a58A-3l06A:
2.5
2a58B-3l06A:
4.9		 2a58A-3l06A:
18.36
2a58B-3l06A:
18.36
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 HIS A 332
GLY A 365
SER A 612
GLU A 570
LEU A 422
 None
 1.28A 2a58A-3ldrA:
undetectable
2a58B-3ldrA:
undetectable		 2a58A-3ldrA:
15.00
2a58B-3ldrA:
15.00
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.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		5 ILE A  50
LEU A  53
ALA A  19
GLY A  13
SER A  56
 None
 1.31A 2a58A-3le1A:
undetectable
2a58B-3le1A:
undetectable		 2a58A-3le1A:
20.13
2a58B-3le1A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 ILE A  91
LEU A   8
HIS A  34
ALA A  24
LEU A  50
 None
 1.20A 2a58A-3mt0A:
2.1
2a58B-3mt0A:
2.1		 2a58A-3mt0A:
20.07
2a58B-3mt0A:
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 550
TYR A 102
GLY A 345
SER A 344
LEU A 100
 None
None
PLP  A1001 (-3.3A)
None
None
 1.17A 2a58A-3n2oA:
2.9
2a58B-3n2oA:
2.9		 2a58A-3n2oA:
15.30
2a58B-3n2oA:
15.30
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 ILE A  76
LEU A  81
ALA A  87
GLY A  46
SER A  47
 None
None
None
SAH  A 300 (-4.6A)
SAH  A 300 (-2.6A)
 1.17A 2a58A-3njrA:
undetectable
2a58B-3njrA:
undetectable		 2a58A-3njrA:
23.33
2a58B-3njrA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 ILE A 238
LEU A 239
ALA A 305
GLY A 297
SER A 296
 None
 1.00A 2a58A-3ntxA:
undetectable
2a58B-3ntxA:
undetectable		 2a58A-3ntxA:
21.54
2a58B-3ntxA:
21.54
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.
3pxp HELIX-TURN-HELIX
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF13560
(HTH_31) 		5 ILE A 121
ALA A 284
TYR A 192
SER A 289
TRP A 286
 None
 1.05A 2a58A-3pxpA:
undetectable
2a58B-3pxpA:
undetectable		 2a58A-3pxpA:
19.01
2a58B-3pxpA:
19.01
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.
3tad LIPRIN-BETA-1

(Mus musculus) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		5 LEU C 729
ALA C 734
GLY C 791
SER C 790
LEU C 811
 None
 1.25A 2a58A-3tadC:
undetectable
2a58B-3tadC:
undetectable		 2a58A-3tadC:
20.58
2a58B-3tadC:
20.58
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		5 ILE A 188
LEU A 185
HIS A 149
ALA A 156
LEU A  54
 None
None
PGE  A 502 (-3.4A)
None
None
 1.14A 2a58A-3tb4A:
3.7
2a58B-3tb4A:
3.8		 2a58A-3tb4A:
21.30
2a58B-3tb4A:
21.30
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.
3tlk FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 ILE A 144
LEU A 143
ALA A 123
SER A  51
LEU A  60
 None
 1.11A 2a58A-3tlkA:
undetectable
2a58B-3tlkA:
undetectable		 2a58A-3tlkA:
21.38
2a58B-3tlkA:
21.38
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.
3umb DEHALOGENASE-LIKE
HYDROLASE

(Ralstonia
solanacearum) 		PF00702
(Hydrolase) 		5 ILE A 175
LEU A 176
ALA A 164
GLY A 119
LEU A 108
 None
 1.13A 2a58A-3umbA:
2.7
2a58B-3umbA:
2.8		 2a58A-3umbA:
21.85
2a58B-3umbA:
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 292
HIS A 288
ALA A 324
GLY A  32
LEU A  47
 None
 1.12A 2a58A-3v4bA:
undetectable
2a58B-3v4bA:
undetectable		 2a58A-3v4bA:
19.10
2a58B-3v4bA:
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 ILE A 132
LEU A 165
ALA A 148
GLY A 168
SER A 172
 None
 1.28A 2a58A-4ee9A:
undetectable
2a58B-4ee9A:
undetectable		 2a58A-4ee9A:
23.87
2a58B-4ee9A:
23.87
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 ILE A  95
LEU A  91
TRP A  96
GLU A  99
HIS A 219
 NOS  A 501 (-4.2A)
NOS  A 501 ( 4.8A)
NOS  A 501 ( 4.4A)
NOS  A 501 ( 2.8A)
NOS  A 501 (-3.5A)
 1.11A 2a58A-4f0sA:
undetectable
2a58B-4f0sA:
undetectable		 2a58A-4f0sA:
16.29
2a58B-4f0sA:
16.29
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE A 942
ALA A 196
GLY A 935
SER A 934
LEU A 965
 None
 1.32A 2a58A-4f4cA:
undetectable
2a58B-4f4cA:
undetectable		 2a58A-4f4cA:
7.79
2a58B-4f4cA:
7.79
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 LEU A 159
ALA A 153
GLY A  80
SER A  82
LEU A  65
 None
 1.29A 2a58A-4gl3A:
undetectable
2a58B-4gl3A:
undetectable		 2a58A-4gl3A:
16.47
2a58B-4gl3A:
16.47
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 LEU A  34
GLY A 114
SER A 116
GLU A  37
LEU A  15
 None
 1.31A 2a58A-4hymA:
undetectable
2a58B-4hymA:
undetectable		 2a58A-4hymA:
18.91
2a58B-4hymA:
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 ILE A 189
ALA A 192
GLY A 226
SER A 225
LEU A  38
 None
 1.20A 2a58A-4hyqA:
4.5
2a58B-4hyqA:
4.5		 2a58A-4hyqA:
23.46
2a58B-4hyqA:
23.46
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.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 ILE A 156
LEU A 157
TYR A 110
SER A 106
GLU A 140
 None
None
None
NAD  A 403 (-3.6A)
None
 1.24A 2a58A-4id9A:
2.2
2a58B-4id9A:
2.3		 2a58A-4id9A:
20.13
2a58B-4id9A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 191
LEU A 255
ALA A 196
GLY A 115
LEU A 118
 None
 1.11A 2a58A-4jgaA:
undetectable
2a58B-4jgaA:
undetectable		 2a58A-4jgaA:
17.87
2a58B-4jgaA:
17.87
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ILE D 178
LEU D 241
HIS D 173
ALA D 183
GLY D 102
 None
 1.29A 2a58A-4jrmD:
undetectable
2a58B-4jrmD:
undetectable		 2a58A-4jrmD:
16.75
2a58B-4jrmD:
16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		5 GLY A  60
SER A  61
GLU A  63
LEU A  91
HIS A  98
 None
None
None
None
SO4  A 202 ( 4.7A)
 0.38A 2a58A-4kq6A:
26.6
2a58B-4kq6A:
26.6		 2a58A-4kq6A:
48.89
2a58B-4kq6A:
48.89
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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		5 ILE A  74
LEU A  71
ALA A  24
GLY A  26
LEU A  29
 None
 1.30A 2a58A-4m1eA:
4.3
2a58B-4m1eA:
4.2		 2a58A-4m1eA:
20.00
2a58B-4m1eA:
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.
4ofl EXTRACYTOPLASMIC
NICKEL-BINDING
PROTEIN YPYNTA

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 ILE A 183
LEU A 182
HIS A   3
GLY A 202
LEU A 474
 None
 1.06A 2a58A-4oflA:
2.0
2a58B-4oflA:
2.0		 2a58A-4oflA:
16.39
2a58B-4oflA:
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ILE A 374
TYR A 410
GLY A 415
GLU A 370
LEU A 424
 None
 1.33A 2a58A-4ovdA:
undetectable
2a58B-4ovdA:
undetectable		 2a58A-4ovdA:
16.13
2a58B-4ovdA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 LEU A  95
ALA A   6
GLY A  75
SER A  98
LEU A 106
 None
 1.17A 2a58A-4qwvA:
8.3
2a58B-4qwvA:
7.9		 2a58A-4qwvA:
18.71
2a58B-4qwvA:
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 177
LEU A 240
HIS A 172
ALA A 182
GLY A 101
 None
 1.29A 2a58A-4r8eA:
undetectable
2a58B-4r8eA:
undetectable		 2a58A-4r8eA:
17.63
2a58B-4r8eA:
17.63
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 ILE A 303
LEU A 300
ALA A 307
GLY A 247
TRP A 242
 None
 1.25A 2a58A-5aexA:
undetectable
2a58B-5aexA:
undetectable		 2a58A-5aexA:
17.34
2a58B-5aexA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		5 ILE A  83
TRP A  54
GLY A 250
SER A 249
LEU A  26
 AMP  A 304 (-3.8A)
None
None
None
None
 1.25A 2a58A-5b8hA:
undetectable
2a58B-5b8hA:
undetectable		 2a58A-5b8hA:
20.48
2a58B-5b8hA:
20.48
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.
5c30 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF02026
(RyR) 		5 LEU A 932
HIS A 866
GLY A 926
SER A 925
LEU A 874
 None
 1.32A 2a58A-5c30A:
undetectable
2a58B-5c30A:
undetectable		 2a58A-5c30A:
23.61
2a58B-5c30A:
23.61
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 ILE A  92
LEU A  87
ALA A 120
GLY A 115
SER A 114
 None
SAH  A 301 (-4.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 (-4.4A)
 1.15A 2a58A-5ccxA:
undetectable
2a58B-5ccxA:
undetectable		 2a58A-5ccxA:
20.60
2a58B-5ccxA:
20.60
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.
5d1x D4-30 HEAVY CHAIN
IRON-REGULATED
SURFACE DETERMINANT
PROTEIN B

(Homo sapiens;
Staphylococcus
aureus) 		PF05031
(NEAT)
PF07654
(C1-set)
PF07686
(V-set) 		5 HIS E 434
ALA B  56
GLY B  50
SER B  35
LEU B 100
 None
 1.25A 2a58A-5d1xE:
undetectable
2a58B-5d1xE:
undetectable		 2a58A-5d1xE:
21.15
2a58B-5d1xE:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 ILE B 164
GLY B 120
SER B 121
LEU B  87
HIS B 126
 None
SAM  B 401 (-3.3A)
SAM  B 401 (-3.1A)
None
None
 1.13A 2a58A-5ergB:
undetectable
2a58B-5ergB:
undetectable		 2a58A-5ergB:
18.68
2a58B-5ergB:
18.68
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ILE A 208
HIS A 197
GLY A  97
SER A  96
GLU A  98
 None
 1.15A 2a58A-5exeA:
5.7
2a58B-5exeA:
5.8		 2a58A-5exeA:
18.32
2a58B-5exeA:
18.32
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 HIS A2401
ALA A1428
GLY A2391
GLU A2388
LEU A2379
 None
 1.22A 2a58A-5h64A:
undetectable
2a58B-5h64A:
undetectable		 2a58A-5h64A:
5.11
2a58B-5h64A:
5.11
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.
5hxg UNCHARACTERIZED
PROTEIN STM1697

(Salmonella
enterica) 		PF00563
(EAL) 		5 LEU A 146
ALA A 141
GLY A 137
GLU A 107
LEU A 173
 None
 1.26A 2a58A-5hxgA:
undetectable
2a58B-5hxgA:
undetectable		 2a58A-5hxgA:
23.05
2a58B-5hxgA:
23.05
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 190
LEU A 167
ALA A 179
GLY A 199
LEU A  85
 None
 1.08A 2a58A-5o8xA:
undetectable
2a58B-5o8xA:
undetectable		 2a58A-5o8xA:
18.42
2a58B-5o8xA:
18.42
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 208
LEU A 202
ALA A 144
GLY A 192
SER A 191
 None
 1.08A 2a58A-5tf0A:
3.9
2a58B-5tf0A:
4.1		 2a58A-5tf0A:
12.52
2a58B-5tf0A:
12.52
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.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		5 ILE A 200
HIS A 176
ALA A 162
GLY A 150
LEU A 221
 None
ACT  A 406 ( 4.0A)
None
None
None
 1.30A 2a58A-5u63A:
5.3
2a58B-5u63A:
5.4		 2a58A-5u63A:
21.88
2a58B-5u63A:
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A 155
HIS A 193
GLY A 149
SER A 148
LEU A 142
 None
 1.30A 2a58A-5w3fA:
3.0
2a58B-5w3fA:
3.0		 2a58A-5w3fA:
17.05
2a58B-5w3fA:
17.05
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A 155
HIS A 193
TYR A 104
GLY A 149
LEU A 142
 None
 1.16A 2a58A-5w3fA:
3.0
2a58B-5w3fA:
3.0		 2a58A-5w3fA:
17.05
2a58B-5w3fA:
17.05
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.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ILE A 192
LEU A 189
HIS A 153
ALA A 160
LEU A  58
 None
 1.18A 2a58A-5wxvA:
3.4
2a58B-5wxvA:
3.4		 2a58A-5wxvA:
21.38
2a58B-5wxvA:
21.38
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.
5xn7 PUTATIVE RTX-TOXIN

(Vibrio
vulnificus) 		PF11647
(MLD) 		5 LEU A2808
ALA A2811
GLY A2603
SER A2576
GLU A2572
 None
 1.29A 2a58A-5xn7A:
undetectable
2a58B-5xn7A:
undetectable		 2a58A-5xn7A:
13.15
2a58B-5xn7A:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xv7 SERINE-ARGININE (SR)
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 5 ILE A 512
HIS A 565
GLY A 525
SER A 526
LEU A 580
 None
 1.27A 2a58A-5xv7A:
undetectable
2a58B-5xv7A:
undetectable		 2a58A-5xv7A:
21.15
2a58B-5xv7A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5v TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5

(Oryctolagus
cuniculus) 		no annotation 5 ILE A 204
LEU A 203
HIS A 258
ALA A 247
LEU A 232
 None
 1.24A 2a58A-6b5vA:
undetectable
2a58B-6b5vA:
undetectable		 2a58A-6b5vA:
21.94
2a58B-6b5vA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 5 LEU A  76
ALA A  88
GLY A 260
SER A  79
LEU A 264
 None
 1.04A 2a58A-6bf6A:
undetectable
2a58B-6bf6A:
undetectable		 2a58A-6bf6A:
21.25
2a58B-6bf6A:
21.25
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A  61
LEU A  60
HIS A  58
ALA A  73
LEU A 119
 None
 1.29A 2a58A-6blbA:
undetectable
2a58B-6blbA:
undetectable		 2a58A-6blbA:
20.71
2a58B-6blbA:
20.71