SIMILAR PATTERNS OF AMINO ACIDS FOR 2A58_A_RBFA300

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
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)
 0.49A 2a58A-1c41A:
26.5
2a58E-1c41A:
26.5		 2a58A-1c41A:
47.00
2a58E-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.
1d7a PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Escherichia
coli) 		PF00731
(AIRC) 		5 GLY A  15
SER A  43
ILE A  80
HIS A  38
ALA A  68
 AIR  A 300 (-3.5A)
AIR  A 300 (-3.1A)
None
None
None
 1.35A 2a58A-1d7aA:
8.1
2a58E-1d7aA:
8.2		 2a58A-1d7aA:
23.50
2a58E-1d7aA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 239
SER A 240
LEU A  32
ILE A 214
ALA A 260
 None
SO4  A 622 (-2.6A)
None
None
None
 1.23A 2a58A-1gq1A:
undetectable
2a58E-1gq1A:
undetectable		 2a58A-1gq1A:
14.94
2a58E-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
 0.28A 2a58A-1hqkA:
24.3
2a58E-1hqkA:
24.3		 2a58A-1hqkA:
37.89
2a58E-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 GLY A 155
LEU A 122
ILE A  71
HIS A  80
ALA A  68
 None
 1.34A 2a58A-1in8A:
undetectable
2a58E-1in8A:
undetectable		 2a58A-1in8A:
20.96
2a58E-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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 571
GLU A 573
LEU A 539
ILE A 663
ALA A 626
 None
 1.50A 2a58A-1itzA:
4.3
2a58E-1itzA:
3.6		 2a58A-1itzA:
13.92
2a58E-1itzA:
13.92
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 TYR A 258
GLY A 259
ILE A 266
HIS A 326
ALA A 319
 None
 1.20A 2a58A-1jxkA:
undetectable
2a58E-1jxkA:
undetectable		 2a58A-1jxkA:
16.04
2a58E-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.
1kp6 PROTEIN (TOXIN)

(Ustilago maydis) 		no annotation 5 TYR A  44
GLY A  49
TRP A  17
LEU A  52
HIS A  64
 None
 1.48A 2a58A-1kp6A:
undetectable
2a58E-1kp6A:
undetectable		 2a58A-1kp6A:
17.22
2a58E-1kp6A:
17.22
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
2a58E-1kz1A:
29.8		 2a58A-1kz1A:
99.37
2a58E-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 GLY A  61
SER A  62
TRP A  63
GLU A  64
LEU A 121
 None
 1.40A 2a58A-1kz1A:
29.7
2a58E-1kz1A:
29.8		 2a58A-1kz1A:
99.37
2a58E-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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A 732
SER A 731
TRP A 926
ILE A 922
ALA A 844
 None
 1.37A 2a58A-1n5xA:
undetectable
2a58E-1n5xA:
undetectable		 2a58A-1n5xA:
9.24
2a58E-1n5xA:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY B 137
GLU B 280
LEU B 193
ILE B 326
HIS B 141
 None
 1.42A 2a58A-1olxB:
5.0
2a58E-1olxB:
5.7		 2a58A-1olxB:
18.44
2a58E-1olxB:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sq4 GLYOXYLATE-INDUCED
PROTEIN

(Pseudomonas
aeruginosa) 		PF07883
(Cupin_2) 		5 TYR A   7
GLY A 237
LEU A 219
HIS A 139
ILE A  33
 None
 1.30A 2a58A-1sq4A:
undetectable
2a58E-1sq4A:
undetectable		 2a58A-1sq4A:
21.86
2a58E-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 GLY B 252
GLU B 202
LEU B  26
ILE B  34
ALA B 222
 None
 1.16A 2a58A-1t3qB:
undetectable
2a58E-1t3qB:
undetectable		 2a58A-1t3qB:
11.99
2a58E-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.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		5 GLY A  68
SER A 161
LEU A  85
HIS A  73
ALA A  40
 None
 1.43A 2a58A-1tj5A:
4.0
2a58E-1tj5A:
4.0		 2a58A-1tj5A:
20.08
2a58E-1tj5A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1unf IRON SUPEROXIDE
DISMUTASE

(Vigna
unguiculata) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLY X 143
SER X 142
HIS X  43
ILE X 194
ALA X 145
 None
None
FE  X1239 (-3.3A)
None
None
 1.24A 2a58A-1unfX:
undetectable
2a58E-1unfX:
undetectable		 2a58A-1unfX:
23.58
2a58E-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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLY A 173
SER A 174
LEU A 229
ILE A 238
ALA A 270
 None
PLP  A 413 ( 3.9A)
None
None
None
 1.18A 2a58A-1ve1A:
2.3
2a58E-1ve1A:
2.4		 2a58A-1ve1A:
22.70
2a58E-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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A  81
SER A 130
LEU A 134
ILE A 158
ALA A 155
 None
None
None
None
PD8  A1421 (-3.9A)
 1.46A 2a58A-1w78A:
3.7
2a58E-1w78A:
3.7		 2a58A-1w78A:
17.49
2a58E-1w78A:
17.49
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 125
SER A 124
LEU A 383
HIS A 296
HIS A 174
 None
 1.46A 2a58A-1yfmA:
undetectable
2a58E-1yfmA:
undetectable		 2a58A-1yfmA:
14.81
2a58E-1yfmA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 GLY A 214
SER A 190
GLU A 197
ILE A 202
ALA A 241
 GUN  A 400 (-3.5A)
None
GUN  A 400 (-2.8A)
None
GUN  A 400 ( 4.6A)
 1.44A 2a58A-1yqqA:
3.9
2a58E-1yqqA:
3.8		 2a58A-1yqqA:
22.46
2a58E-1yqqA:
22.46
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.
1ytq BETA CRYSTALLIN B2

(Homo sapiens) 		PF00030
(Crystall) 		5 TYR A  61
GLY A  60
TRP A  58
LEU A  40
ILE A  99
 None
 1.35A 2a58A-1ytqA:
undetectable
2a58E-1ytqA:
undetectable		 2a58A-1ytqA:
20.75
2a58E-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 TYR A  47
GLY A 111
SER A 110
ILE A 116
ALA A 153
 None
 1.14A 2a58A-1yuzA:
undetectable
2a58E-1yuzA:
undetectable		 2a58A-1yuzA:
22.49
2a58E-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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 TYR A 256
GLY A 272
LEU A 258
TRP A 303
ALA A 302
 None
 1.41A 2a58A-2akzA:
undetectable
2a58E-2akzA:
undetectable		 2a58A-2akzA:
20.34
2a58E-2akzA:
20.34
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.
2bre ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 GLY A 123
SER A 126
LEU A  34
ILE A  12
ALA A  97
 None
None
KJ2  A1214 ( 4.8A)
None
None
 1.48A 2a58A-2breA:
undetectable
2a58E-2breA:
undetectable		 2a58A-2breA:
23.18
2a58E-2breA:
23.18
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 TYR A 203
GLY A 365
ILE A 382
TRP A 202
ALA A 367
 None
 1.42A 2a58A-2ewyA:
undetectable
2a58E-2ewyA:
undetectable		 2a58A-2ewyA:
18.80
2a58E-2ewyA:
18.80
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 216
GLU A 223
LEU A 165
HIS A 259
ALA A 222
 None
None
None
PO4  A 401 (-4.1A)
None
 1.45A 2a58A-2fpgA:
6.1
2a58E-2fpgA:
6.1		 2a58A-2fpgA:
19.87
2a58E-2fpgA:
19.87
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 GLY A 148
SER A 147
LEU A 172
ILE A 119
ALA A  92
 None
 1.33A 2a58A-2g02A:
undetectable
2a58E-2g02A:
undetectable		 2a58A-2g02A:
17.20
2a58E-2g02A:
17.20
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.
2jjm GLYCOSYL
TRANSFERASE, GROUP 1
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLY A   6
LEU A  23
HIS A  93
ILE A 115
HIS A  98
 None
 1.39A 2a58A-2jjmA:
2.2
2a58E-2jjmA:
2.2		 2a58A-2jjmA:
20.05
2a58E-2jjmA:
20.05
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.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		5 GLY A  75
LEU A 183
ILE A  42
HIS A 139
ALA A  41
 None
 1.41A 2a58A-2or0A:
undetectable
2a58E-2or0A:
undetectable		 2a58A-2or0A:
15.71
2a58E-2or0A:
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 TYR A 422
GLY A 399
SER A 400
HIS A 334
ILE A 344
 None
None
None
ZN  A1566 (-3.5A)
None
 1.43A 2a58A-2w9mA:
undetectable
2a58E-2w9mA:
undetectable		 2a58A-2w9mA:
16.33
2a58E-2w9mA:
16.33
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.
3b1f PUTATIVE PREPHENATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF02153
(PDH) 		5 GLY A 121
SER A 122
LEU A 162
ILE A  80
ALA A 108
 None
 1.37A 2a58A-3b1fA:
4.0
2a58E-3b1fA:
4.0		 2a58A-3b1fA:
18.21
2a58E-3b1fA:
18.21
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.
3cgy VIRULENCE SENSOR
HISTIDINE KINASE
PHOQ

(Salmonella
enterica) 		PF02518
(HATPase_c) 		5 SER A 372
LEU A 338
ILE A 412
HIS A 409
ALA A 403
 None
 1.42A 2a58A-3cgyA:
undetectable
2a58E-3cgyA:
undetectable		 2a58A-3cgyA:
23.26
2a58E-3cgyA:
23.26
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.
3cpx AMINOPEPTIDASE, M42
FAMILY

(Cytophaga
hutchinsonii) 		PF05343
(Peptidase_M42) 		5 SER A 195
LEU A 257
ILE A 166
HIS A  65
ALA A 154
 None
None
None
FE  A 400 (-3.2A)
None
 1.49A 2a58A-3cpxA:
2.6
2a58E-3cpxA:
4.3		 2a58A-3cpxA:
20.38
2a58E-3cpxA:
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.
3d6n ASPARTATE
CARBAMOYLTRANSFERASE
DIHYDROOROTASE

(Aquifex
aeolicus) 		PF00185
(OTCace)
PF01979
(Amidohydro_1)
PF02729
(OTCace_N) 		5 TYR A 188
GLY A 189
SER A 203
HIS B 157
ALA A 206
 None
 1.44A 2a58A-3d6nA:
undetectable
2a58E-3d6nA:
undetectable		 2a58A-3d6nA:
18.25
2a58E-3d6nA:
18.25
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.
3eey PUTATIVE RRNA
METHYLASE

(Ruminiclostridium
thermocellum) 		PF06962
(rRNA_methylase) 		5 GLY A  32
LEU A  38
ILE A  58
HIS A  81
ALA A  57
 SAM  A 300 ( 4.4A)
None
None
SAM  A 300 (-3.1A)
SAM  A 300 ( 4.3A)
 1.39A 2a58A-3eeyA:
2.6
2a58E-3eeyA:
2.6		 2a58A-3eeyA:
24.85
2a58E-3eeyA:
24.85
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		5 GLY A 153
GLU A  18
ILE A  70
TRP A  75
ALA A  15
 None
 1.13A 2a58A-3f5dA:
4.1
2a58E-3f5dA:
3.4		 2a58A-3f5dA:
22.49
2a58E-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 GLY A 271
SER A 200
GLU A 189
ILE A 325
ALA A 274
 None
 1.25A 2a58A-3fv3A:
undetectable
2a58E-3fv3A:
undetectable		 2a58A-3fv3A:
22.47
2a58E-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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		5 GLY A2391
GLU A2388
LEU A2379
HIS A2401
ALA A1428
 None
 1.41A 2a58A-3jbzA:
undetectable
2a58E-3jbzA:
undetectable		 2a58A-3jbzA:
9.50
2a58E-3jbzA:
9.50
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  90
SER A 183
HIS A 179
ILE A 159
ALA A 124
 None
 1.19A 2a58A-3k4uA:
2.7
2a58E-3k4uA:
3.0		 2a58A-3k4uA:
20.82
2a58E-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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 365
SER A 612
GLU A 570
LEU A 422
HIS A 332
 None
 1.26A 2a58A-3ldrA:
undetectable
2a58E-3ldrA:
undetectable		 2a58A-3ldrA:
15.00
2a58E-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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		5 TYR A 102
GLY A 345
SER A 344
LEU A 100
ALA A 550
 None
PLP  A1001 (-3.3A)
None
None
None
 1.17A 2a58A-3n2oA:
2.9
2a58E-3n2oA:
undetectable		 2a58A-3n2oA:
15.30
2a58E-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.
3o0p SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		5 GLY A 125
SER A 126
LEU A 131
ILE A 108
ALA A  99
 None
 1.40A 2a58A-3o0pA:
undetectable
2a58E-3o0pA:
undetectable		 2a58A-3o0pA:
23.15
2a58E-3o0pA:
23.15
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.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		5 GLY A 222
SER A 198
GLU A 205
ILE A 210
ALA A 249
 XAN  A 288 (-3.4A)
None
XAN  A 288 (-2.8A)
None
XAN  A 288 ( 4.8A)
 1.47A 2a58A-3odgA:
3.6
2a58E-3odgA:
3.7		 2a58A-3odgA:
21.92
2a58E-3odgA:
21.92
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 TYR A 172
GLY A 201
GLU A 204
ILE A  21
ALA A  97
 None
 1.33A 2a58A-3ozbA:
5.0
2a58E-3ozbA:
5.0		 2a58A-3ozbA:
22.43
2a58E-3ozbA:
22.43
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.
3pxp HELIX-TURN-HELIX
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF13560
(HTH_31) 		5 TYR A 192
SER A 289
TRP A 286
ILE A 121
ALA A 284
 None
 1.02A 2a58A-3pxpA:
undetectable
2a58E-3pxpA:
undetectable		 2a58A-3pxpA:
19.01
2a58E-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.
3qvn MANGANESE-CONTAINING
SUPEROXIDE DISMUTASE

(Candida
albicans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLY A 133
SER A 132
HIS A 174
ILE A 169
ALA A 135
 None
None
MN  A 207 (-3.0A)
None
None
 1.47A 2a58A-3qvnA:
undetectable
2a58E-3qvnA:
undetectable		 2a58A-3qvnA:
23.22
2a58E-3qvnA:
23.22
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 GLY A 137
SER A 140
LEU A  48
ILE A  26
ALA A 111
 None
None
None
None
06J  A   1 ( 4.0A)
 1.45A 2a58A-3r92A:
undetectable
2a58E-3r92A:
undetectable		 2a58A-3r92A:
23.66
2a58E-3r92A:
23.66
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 GLY L 350
SER L 349
LEU L 308
ILE L 372
ALA L 355
 None
 1.42A 2a58A-3rkoL:
undetectable
2a58E-3rkoL:
undetectable		 2a58A-3rkoL:
13.05
2a58E-3rkoL:
13.05
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  32
LEU A  47
ILE A 292
HIS A 288
ALA A 324
 None
 1.10A 2a58A-3v4bA:
undetectable
2a58E-3v4bA:
undetectable		 2a58A-3v4bA:
19.10
2a58E-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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 TYR A  22
SER A  25
ILE A  75
HIS A  62
TRP A  71
 None
 1.12A 2a58A-4ccwA:
undetectable
2a58E-4ccwA:
undetectable		 2a58A-4ccwA:
20.39
2a58E-4ccwA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccy CARBOXYLESTERASE
YBFK

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 TYR B  22
SER B  25
ILE B  75
HIS B  62
TRP B  71
 None
 1.16A 2a58A-4ccyB:
2.3
2a58E-4ccyB:
undetectable		 2a58A-4ccyB:
20.89
2a58E-4ccyB:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		5 TYR A  16
GLY A   5
LEU A  50
ILE A 221
HIS A 212
 None
 1.22A 2a58A-4efzA:
undetectable
2a58E-4efzA:
undetectable		 2a58A-4efzA:
21.38
2a58E-4efzA:
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 GLY A 935
SER A 934
LEU A 965
ILE A 942
ALA A 196
 None
 1.33A 2a58A-4f4cA:
undetectable
2a58E-4f4cA:
undetectable		 2a58A-4f4cA:
7.79
2a58E-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.
4fo0 ACTIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF00022
(Actin) 		5 GLY A 273
SER A 274
LEU A 536
HIS A  52
ALA A 590
 None
 1.49A 2a58A-4fo0A:
undetectable
2a58E-4fo0A:
undetectable		 2a58A-4fo0A:
14.53
2a58E-4fo0A:
14.53
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.
4g1j SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		5 GLY A 131
SER A 132
LEU A 137
ILE A 114
ALA A 105
 None
 1.41A 2a58A-4g1jA:
undetectable
2a58E-4g1jA:
undetectable		 2a58A-4g1jA:
21.93
2a58E-4g1jA:
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 248
SER A 275
LEU A 280
ILE A 200
ALA A 202
 None
None
None
None
MLY  A 230 ( 3.9A)
 1.30A 2a58A-4gxrA:
2.9
2a58E-4gxrA:
3.7		 2a58A-4gxrA:
16.07
2a58E-4gxrA:
16.07
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		5 GLY A 315
SER A 316
GLU A 307
LEU A 235
ILE A 306
 None
 1.49A 2a58A-4hn9A:
3.6
2a58E-4hn9A:
3.6		 2a58A-4hn9A:
20.00
2a58E-4hn9A:
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 226
SER A 225
LEU A  38
ILE A 189
ALA A 192
 None
 1.19A 2a58A-4hyqA:
4.6
2a58E-4hyqA:
4.5		 2a58A-4hyqA:
23.46
2a58E-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.
4i6k AMIDOHYDROLASE
FAMILY PROTEIN

(Acinetobacter
baumannii) 		PF04909
(Amidohydro_2) 		5 TRP A 227
LEU A  50
HIS A  11
HIS A 158
ALA A 241
 None
None
CIT  A 301 (-4.1A)
CIT  A 301 (-4.1A)
None
 1.46A 2a58A-4i6kA:
undetectable
2a58E-4i6kA:
undetectable		 2a58A-4i6kA:
18.77
2a58E-4i6kA:
18.77
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
2a58E-4kq6A:
26.6		 2a58A-4kq6A:
48.89
2a58E-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.
4o9u NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 GLY B 122
GLU B 221
LEU B 171
ILE B  99
ALA B  96
 None
 1.39A 2a58A-4o9uB:
2.6
2a58E-4o9uB:
2.2		 2a58A-4o9uB:
18.44
2a58E-4o9uB:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 TYR A 410
GLY A 415
GLU A 370
LEU A 424
ILE A 374
 None
 1.32A 2a58A-4ovdA:
undetectable
2a58E-4ovdA:
undetectable		 2a58A-4ovdA:
16.13
2a58E-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.
4qlx NITROREDUCTASE
FAMILY PROTEIN

(Lactobacillus
plantarum) 		PF00881
(Nitroreductase) 		5 GLY A 195
SER A  86
ILE A 192
HIS A 160
ALA A 164
 None
 1.36A 2a58A-4qlxA:
undetectable
2a58E-4qlxA:
undetectable		 2a58A-4qlxA:
22.27
2a58E-4qlxA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 GLY A  20
SER A  21
HIS A  26
HIS A 388
ALA A 371
 None
 1.43A 2a58A-4rslA:
3.9
2a58E-4rslA:
3.9		 2a58A-4rslA:
16.63
2a58E-4rslA:
16.63
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 GLY A  72
LEU A 329
HIS A  87
HIS A  86
ALA A  50
 None
 1.39A 2a58A-4s13A:
undetectable
2a58E-4s13A:
undetectable		 2a58A-4s13A:
16.00
2a58E-4s13A:
16.00
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 GLY A 433
LEU A 405
HIS A 372
ILE A 380
ALA A 556
 None
 1.41A 2a58A-4tr2A:
2.9
2a58E-4tr2A:
3.0		 2a58A-4tr2A:
12.48
2a58E-4tr2A:
12.48
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 TYR A 272
GLY A 230
SER A  76
LEU A  31
ALA A 226
 None
 1.31A 2a58A-4u8hA:
2.6
2a58E-4u8hA:
2.6		 2a58A-4u8hA:
15.07
2a58E-4u8hA:
15.07
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  12
SER A  11
LEU A  39
ILE A 371
ALA A 370
 FDA  A 403 (-3.3A)
None
None
None
FDA  A 403 (-3.5A)
 1.25A 2a58A-4xgkA:
6.5
2a58E-4xgkA:
6.4		 2a58A-4xgkA:
18.97
2a58E-4xgkA:
18.97
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A 732
SER A 731
TRP A 926
ILE A 922
ALA A 844
 None
 1.35A 2a58A-4yswA:
2.2
2a58E-4yswA:
2.1		 2a58A-4yswA:
8.61
2a58E-4yswA:
8.61
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		5 GLY A 250
SER A 249
LEU A  26
ILE A  83
TRP A  54
 None
None
None
AMP  A 304 (-3.8A)
None
 1.25A 2a58A-5b8hA:
undetectable
2a58E-5b8hA:
undetectable		 2a58A-5b8hA:
20.48
2a58E-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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 TYR A 396
GLY A 398
GLU A 507
HIS A 298
HIS A 243
 None
 1.34A 2a58A-5by3A:
4.2
2a58E-5by3A:
4.2		 2a58A-5by3A:
12.27
2a58E-5by3A:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLY A   7
LEU A  24
HIS A  94
ILE A 116
HIS A  99
 None
 1.43A 2a58A-5d01A:
5.0
2a58E-5d01A:
5.0		 2a58A-5d01A:
19.05
2a58E-5d01A:
19.05
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.
5d1x D4-30 HEAVY CHAIN
IRON-REGULATED
SURFACE DETERMINANT
PROTEIN B

(Homo sapiens;
Staphylococcus
aureus) 		PF05031
(NEAT)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  50
SER B  35
LEU B 100
HIS E 434
ALA B  56
 None
 1.24A 2a58A-5d1xB:
undetectable
2a58E-5d1xB:
undetectable		 2a58A-5d1xB:
19.33
2a58E-5d1xB:
19.33
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 GLY A 515
TRP A 543
LEU A 622
ILE A 539
HIS A 521
 None
 1.45A 2a58A-5e3cA:
undetectable
2a58E-5e3cA:
undetectable		 2a58A-5e3cA:
12.31
2a58E-5e3cA:
12.31
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.
5eb9 CD8 ALPHA CHAIN

(Gallus gallus) 		PF07686
(V-set) 		5 GLY A  39
SER A  58
LEU A  60
ILE A 105
ALA A 103
 None
 1.33A 2a58A-5eb9A:
undetectable
2a58E-5eb9A:
undetectable		 2a58A-5eb9A:
19.51
2a58E-5eb9A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A 156
LEU A 217
ILE A 267
HIS A 320
ALA A 291
 None
 1.39A 2a58A-5eioA:
undetectable
2a58E-5eioA:
undetectable		 2a58A-5eioA:
20.85
2a58E-5eioA:
20.85
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 120
SER B 121
LEU B  87
HIS B 126
ILE B 164
 SAM  B 401 (-3.3A)
SAM  B 401 (-3.1A)
None
None
None
 1.12A 2a58A-5ergB:
undetectable
2a58E-5ergB:
undetectable		 2a58A-5ergB:
18.68
2a58E-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 GLY A  97
SER A  96
GLU A  98
ILE A 208
HIS A 197
 None
 1.17A 2a58A-5exeA:
5.7
2a58E-5exeA:
3.2		 2a58A-5exeA:
18.32
2a58E-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.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 197
LEU A  33
HIS A  40
ILE A  16
ALA A 190
 None
 1.38A 2a58A-5f8zA:
undetectable
2a58E-5f8zA:
undetectable		 2a58A-5f8zA:
24.05
2a58E-5f8zA:
24.05
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.
5gvt PLASMA KALLIKREIN

(Mus musculus) 		no annotation 5 GLY A 197
LEU A  33
HIS A  40
ILE A  16
ALA A 190
 None
 1.38A 2a58A-5gvtA:
undetectable
2a58E-5gvtA:
undetectable		 2a58A-5gvtA:
19.63
2a58E-5gvtA:
19.63
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 GLY A2391
GLU A2388
LEU A2379
HIS A2401
ALA A1428
 None
 1.20A 2a58A-5h64A:
undetectable
2a58E-5h64A:
undetectable		 2a58A-5h64A:
5.11
2a58E-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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 GLY A 308
SER A 307
LEU A 715
ILE A 380
ALA A 312
 MGD  A2002 (-3.5A)
MGD  A2002 ( 3.9A)
None
None
None
 1.43A 2a58A-5nqdA:
2.4
2a58E-5nqdA:
2.4		 2a58A-5nqdA:
18.75
2a58E-5nqdA:
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.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		5 GLY A 150
LEU A 221
ILE A 200
HIS A 176
ALA A 162
 None
None
None
ACT  A 406 ( 4.0A)
None
 1.31A 2a58A-5u63A:
5.4
2a58E-5u63A:
5.3		 2a58A-5u63A:
21.88
2a58E-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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 207
SER A 206
LEU A 266
HIS A 178
HIS A 395
 None
 1.45A 2a58A-5w70A:
2.2
2a58E-5w70A:
undetectable		 2a58A-5w70A:
17.08
2a58E-5w70A:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 GLY A  20
SER A  21
HIS A  26
HIS A 384
ALA A 367
 None
 1.38A 2a58A-5xaoA:
4.8
2a58E-5xaoA:
4.0		 2a58A-5xaoA:
16.55
2a58E-5xaoA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 525
SER A 526
LEU A 580
ILE A 512
HIS A 565
 None
 1.26A 2a58A-5xv7A:
undetectable
2a58E-5xv7A:
undetectable		 2a58A-5xv7A:
21.15
2a58E-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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 5 TYR A 419
GLY A 299
SER A 298
ILE A 481
HIS A 440
 None
None
NI  A 603 (-3.2A)
None
None
 1.28A 2a58A-5yqwA:
2.2
2a58E-5yqwA:
undetectable		 2a58A-5yqwA:
14.63
2a58E-5yqwA:
14.63