SIMILAR PATTERNS OF AMINO ACIDS FOR 2A58_D_RBFD303

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 2a58C-1c41A:
26.5
2a58D-1c41A:
26.5		 2a58C-1c41A:
47.00
2a58D-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 ILE A  80
HIS A  38
ALA A  68
GLY A  15
SER A  43
 None
None
None
AIR  A 300 (-3.5A)
AIR  A 300 (-3.1A)
 1.35A 2a58C-1d7aA:
8.2
2a58D-1d7aA:
8.2		 2a58C-1d7aA:
23.50
2a58D-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 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 2a58C-1gq1A:
undetectable
2a58D-1gq1A:
undetectable		 2a58C-1gq1A:
14.94
2a58D-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 2a58C-1hqkA:
24.2
2a58D-1hqkA:
24.3		 2a58C-1hqkA:
37.89
2a58D-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
 1.34A 2a58C-1in8A:
undetectable
2a58D-1in8A:
undetectable		 2a58C-1in8A:
20.96
2a58D-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 ILE A 663
ALA A 626
GLY A 571
GLU A 573
LEU A 539
 None
 1.50A 2a58C-1itzA:
3.7
2a58D-1itzA:
4.9		 2a58C-1itzA:
13.92
2a58D-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 ILE A 266
HIS A 326
ALA A 319
TYR A 258
GLY A 259
 None
 1.21A 2a58C-1jxkA:
undetectable
2a58D-1jxkA:
undetectable		 2a58C-1jxkA:
16.04
2a58D-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 HIS A  64
TYR A  44
GLY A  49
TRP A  17
LEU A  52
 None
 1.46A 2a58C-1kp6A:
undetectable
2a58D-1kp6A:
undetectable		 2a58C-1kp6A:
17.22
2a58D-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
 0.16A 2a58C-1kz1A:
29.7
2a58D-1kz1A:
29.7		 2a58C-1kz1A:
99.37
2a58D-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
 1.41A 2a58C-1kz1A:
29.7
2a58D-1kz1A:
29.7		 2a58C-1kz1A:
99.37
2a58D-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 ILE A 922
ALA A 844
GLY A 732
SER A 731
TRP A 926
 None
 1.38A 2a58C-1n5xA:
undetectable
2a58D-1n5xA:
undetectable		 2a58C-1n5xA:
9.24
2a58D-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 ILE B 326
HIS B 141
GLY B 137
GLU B 280
LEU B 193
 None
 1.43A 2a58C-1olxB:
5.7
2a58D-1olxB:
5.7		 2a58C-1olxB:
18.44
2a58D-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 ILE A  33
TYR A   7
GLY A 237
LEU A 219
HIS A 139
 None
 1.29A 2a58C-1sq4A:
undetectable
2a58D-1sq4A:
undetectable		 2a58C-1sq4A:
21.86
2a58D-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
 1.17A 2a58C-1t3qB:
undetectable
2a58D-1t3qB:
undetectable		 2a58C-1t3qB:
11.99
2a58D-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 HIS A  73
ALA A  40
GLY A  68
SER A 161
LEU A  85
 None
 1.43A 2a58C-1tj5A:
4.0
2a58D-1tj5A:
3.3		 2a58C-1tj5A:
20.08
2a58D-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 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 2a58C-1unfX:
undetectable
2a58D-1unfX:
undetectable		 2a58C-1unfX:
23.58
2a58D-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 ILE A 238
ALA A 270
GLY A 173
SER A 174
LEU A 229
 None
None
None
PLP  A 413 ( 3.9A)
None
 1.18A 2a58C-1ve1A:
2.4
2a58D-1ve1A:
2.4		 2a58C-1ve1A:
22.70
2a58D-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 ILE A 158
ALA A 155
TYR A  81
SER A 130
LEU A 134
 None
PD8  A1421 (-3.9A)
None
None
None
 1.46A 2a58C-1w78A:
3.4
2a58D-1w78A:
3.8		 2a58C-1w78A:
17.49
2a58D-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 HIS A 174
GLY A 125
SER A 124
LEU A 383
HIS A 296
 None
 1.45A 2a58C-1yfmA:
undetectable
2a58D-1yfmA:
undetectable		 2a58C-1yfmA:
14.81
2a58D-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 ILE A 202
ALA A 241
GLY A 214
SER A 190
GLU A 197
 None
GUN  A 400 ( 4.6A)
GUN  A 400 (-3.5A)
None
GUN  A 400 (-2.8A)
 1.43A 2a58C-1yqqA:
3.3
2a58D-1yqqA:
3.0		 2a58C-1yqqA:
22.46
2a58D-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.
1yuz NIGERYTHRIN

(Desulfovibrio
vulgaris) 		PF02915
(Rubrerythrin) 		5 ILE A 116
ALA A 153
TYR A  47
GLY A 111
SER A 110
 None
 1.15A 2a58C-1yuzA:
undetectable
2a58D-1yuzA:
undetectable		 2a58C-1yuzA:
22.49
2a58D-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 TRP A 303
ALA A 302
TYR A 256
GLY A 272
LEU A 258
 None
 1.41A 2a58C-2akzA:
undetectable
2a58D-2akzA:
undetectable		 2a58C-2akzA:
20.34
2a58D-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 ILE A  12
ALA A  97
GLY A 123
SER A 126
LEU A  34
 None
None
None
None
KJ2  A1214 ( 4.8A)
 1.47A 2a58C-2breA:
undetectable
2a58D-2breA:
undetectable		 2a58C-2breA:
23.18
2a58D-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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ALA A 222
GLY A 216
GLU A 223
LEU A 165
HIS A 259
 None
None
None
None
PO4  A 401 (-4.1A)
 1.46A 2a58C-2fpgA:
6.1
2a58D-2fpgA:
5.9		 2a58C-2fpgA:
19.87
2a58D-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 ILE A 119
ALA A  92
GLY A 148
SER A 147
LEU A 172
 None
 1.34A 2a58C-2g02A:
undetectable
2a58D-2g02A:
undetectable		 2a58C-2g02A:
17.20
2a58D-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 ILE A 115
HIS A  98
GLY A   6
LEU A  23
HIS A  93
 None
 1.38A 2a58C-2jjmA:
2.2
2a58D-2jjmA:
2.4		 2a58C-2jjmA:
20.05
2a58D-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 ILE A  42
HIS A 139
ALA A  41
GLY A  75
LEU A 183
 None
 1.40A 2a58C-2or0A:
undetectable
2a58D-2or0A:
undetectable		 2a58C-2or0A:
15.71
2a58D-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 ILE A 344
TYR A 422
GLY A 399
SER A 400
HIS A 334
 None
None
None
None
ZN  A1566 (-3.5A)
 1.43A 2a58C-2w9mA:
undetectable
2a58D-2w9mA:
undetectable		 2a58C-2w9mA:
16.33
2a58D-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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 412
TRP A 442
GLY A 362
LEU A 270
HIS A 233
 None
None
IBP  A1570 (-3.9A)
None
None
 1.45A 2a58C-2wd9A:
3.1
2a58D-2wd9A:
2.3		 2a58C-2wd9A:
14.24
2a58D-2wd9A:
14.24
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.
3b1f PUTATIVE PREPHENATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF02153
(PDH) 		5 ILE A  80
ALA A 108
GLY A 121
SER A 122
LEU A 162
 None
 1.38A 2a58C-3b1fA:
3.9
2a58D-3b1fA:
4.0		 2a58C-3b1fA:
18.21
2a58D-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 ILE A 412
HIS A 409
ALA A 403
SER A 372
LEU A 338
 None
 1.42A 2a58C-3cgyA:
undetectable
2a58D-3cgyA:
undetectable		 2a58C-3cgyA:
23.26
2a58D-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 ILE A 166
HIS A  65
ALA A 154
SER A 195
LEU A 257
 None
FE  A 400 (-3.2A)
None
None
None
 1.49A 2a58C-3cpxA:
4.3
2a58D-3cpxA:
4.2		 2a58C-3cpxA:
20.38
2a58D-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 ALA A 206
TYR A 188
GLY A 189
SER A 203
HIS B 157
 None
 1.44A 2a58C-3d6nA:
undetectable
2a58D-3d6nA:
undetectable		 2a58C-3d6nA:
18.25
2a58D-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 ILE A  58
HIS A  81
ALA A  57
GLY A  32
LEU A  38
 None
SAM  A 300 (-3.1A)
SAM  A 300 ( 4.3A)
SAM  A 300 ( 4.4A)
None
 1.40A 2a58C-3eeyA:
2.6
2a58D-3eeyA:
2.6		 2a58C-3eeyA:
24.85
2a58D-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 ILE A  70
TRP A  75
ALA A  15
GLY A 153
GLU A  18
 None
 1.13A 2a58C-3f5dA:
3.9
2a58D-3f5dA:
3.9		 2a58C-3f5dA:
22.49
2a58D-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 2a58C-3fv3A:
undetectable
2a58D-3fv3A:
undetectable		 2a58C-3fv3A:
22.47
2a58D-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 HIS A2401
ALA A1428
GLY A2391
GLU A2388
LEU A2379
 None
 1.42A 2a58C-3jbzA:
undetectable
2a58D-3jbzA:
undetectable		 2a58C-3jbzA:
9.50
2a58D-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 ILE A 159
ALA A 124
GLY A  90
SER A 183
HIS A 179
 None
 1.18A 2a58C-3k4uA:
2.5
2a58D-3k4uA:
2.8		 2a58C-3k4uA:
20.82
2a58D-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 HIS A 332
GLY A 365
SER A 612
GLU A 570
LEU A 422
 None
 1.26A 2a58C-3ldrA:
undetectable
2a58D-3ldrA:
undetectable		 2a58C-3ldrA:
15.00
2a58D-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 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 2a58C-3n2oA:
2.8
2a58D-3n2oA:
undetectable		 2a58C-3n2oA:
15.30
2a58D-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 ILE A 108
ALA A  99
GLY A 125
SER A 126
LEU A 131
 None
 1.40A 2a58C-3o0pA:
undetectable
2a58D-3o0pA:
undetectable		 2a58C-3o0pA:
23.15
2a58D-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 ILE A 210
ALA A 249
GLY A 222
SER A 198
GLU A 205
 None
XAN  A 288 ( 4.8A)
XAN  A 288 (-3.4A)
None
XAN  A 288 (-2.8A)
 1.46A 2a58C-3odgA:
3.9
2a58D-3odgA:
3.8		 2a58C-3odgA:
21.92
2a58D-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 ILE A  21
ALA A  97
TYR A 172
GLY A 201
GLU A 204
 None
 1.33A 2a58C-3ozbA:
4.8
2a58D-3ozbA:
5.0		 2a58C-3ozbA:
22.43
2a58D-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 ILE A 121
ALA A 284
TYR A 192
SER A 289
TRP A 286
 None
 1.02A 2a58C-3pxpA:
undetectable
2a58D-3pxpA:
undetectable		 2a58C-3pxpA:
19.01
2a58D-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 ILE A 169
ALA A 135
GLY A 133
SER A 132
HIS A 174
 None
None
None
None
MN  A 207 (-3.0A)
 1.47A 2a58C-3qvnA:
undetectable
2a58D-3qvnA:
undetectable		 2a58C-3qvnA:
23.22
2a58D-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 ILE A  26
ALA A 111
GLY A 137
SER A 140
LEU A  48
 None
06J  A   1 ( 4.0A)
None
None
None
 1.44A 2a58C-3r92A:
undetectable
2a58D-3r92A:
undetectable		 2a58C-3r92A:
23.66
2a58D-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 ILE L 372
ALA L 355
GLY L 350
SER L 349
LEU L 308
 None
 1.42A 2a58C-3rkoL:
undetectable
2a58D-3rkoL:
undetectable		 2a58C-3rkoL:
13.05
2a58D-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 ILE A 292
HIS A 288
ALA A 324
GLY A  32
LEU A  47
 None
 1.11A 2a58C-3v4bA:
undetectable
2a58D-3v4bA:
undetectable		 2a58C-3v4bA:
19.10
2a58D-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 ILE A  75
HIS A  62
TRP A  71
TYR A  22
SER A  25
 None
 1.12A 2a58C-4ccwA:
2.1
2a58D-4ccwA:
undetectable		 2a58C-4ccwA:
20.39
2a58D-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 ILE B  75
HIS B  62
TRP B  71
TYR B  22
SER B  25
 None
 1.16A 2a58C-4ccyB:
undetectable
2a58D-4ccyB:
2.1		 2a58C-4ccyB:
20.89
2a58D-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 ILE A 221
HIS A 212
TYR A  16
GLY A   5
LEU A  50
 None
 1.21A 2a58C-4efzA:
undetectable
2a58D-4efzA:
undetectable		 2a58C-4efzA:
21.38
2a58D-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 ILE A 942
ALA A 196
GLY A 935
SER A 934
LEU A 965
 None
 1.33A 2a58C-4f4cA:
undetectable
2a58D-4f4cA:
undetectable		 2a58C-4f4cA:
7.79
2a58D-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 HIS A  52
ALA A 590
GLY A 273
SER A 274
LEU A 536
 None
 1.48A 2a58C-4fo0A:
undetectable
2a58D-4fo0A:
undetectable		 2a58C-4fo0A:
14.53
2a58D-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 ILE A 114
ALA A 105
GLY A 131
SER A 132
LEU A 137
 None
 1.41A 2a58C-4g1jA:
undetectable
2a58D-4g1jA:
undetectable		 2a58C-4g1jA:
21.93
2a58D-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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		5 ILE A 306
GLY A 315
SER A 316
GLU A 307
LEU A 235
 None
 1.49A 2a58C-4hn9A:
2.4
2a58D-4hn9A:
2.2		 2a58C-4hn9A:
20.00
2a58D-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 ILE A 189
ALA A 192
GLY A 226
SER A 225
LEU A  38
 None
 1.19A 2a58C-4hyqA:
4.7
2a58D-4hyqA:
3.0		 2a58C-4hyqA:
23.46
2a58D-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 HIS A 158
ALA A 241
TRP A 227
LEU A  50
HIS A  11
 CIT  A 301 (-4.1A)
None
None
None
CIT  A 301 (-4.1A)
 1.46A 2a58C-4i6kA:
undetectable
2a58D-4i6kA:
undetectable		 2a58C-4i6kA:
18.77
2a58D-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)
 0.37A 2a58C-4kq6A:
26.6
2a58D-4kq6A:
26.6		 2a58C-4kq6A:
48.89
2a58D-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 ILE B  99
ALA B  96
GLY B 122
GLU B 221
LEU B 171
 None
 1.40A 2a58C-4o9uB:
2.4
2a58D-4o9uB:
2.4		 2a58C-4o9uB:
18.44
2a58D-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 ILE A 374
TYR A 410
GLY A 415
GLU A 370
LEU A 424
 None
 1.32A 2a58C-4ovdA:
undetectable
2a58D-4ovdA:
undetectable		 2a58C-4ovdA:
16.13
2a58D-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 ILE A 192
HIS A 160
ALA A 164
GLY A 195
SER A  86
 None
 1.37A 2a58C-4qlxA:
undetectable
2a58D-4qlxA:
undetectable		 2a58C-4qlxA:
22.27
2a58D-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 HIS A 388
ALA A 371
GLY A  20
SER A  21
HIS A  26
 None
 1.42A 2a58C-4rslA:
2.5
2a58D-4rslA:
4.1		 2a58C-4rslA:
16.63
2a58D-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 HIS A  86
ALA A  50
GLY A  72
LEU A 329
HIS A  87
 None
 1.40A 2a58C-4s13A:
undetectable
2a58D-4s13A:
undetectable		 2a58C-4s13A:
16.00
2a58D-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 ILE A 380
ALA A 556
GLY A 433
LEU A 405
HIS A 372
 None
 1.40A 2a58C-4tr2A:
3.0
2a58D-4tr2A:
2.3		 2a58C-4tr2A:
12.48
2a58D-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 ALA A 226
TYR A 272
GLY A 230
SER A  76
LEU A  31
 None
 1.31A 2a58C-4u8hA:
2.4
2a58D-4u8hA:
2.4		 2a58C-4u8hA:
15.07
2a58D-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.
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 ILE A 922
ALA A 844
GLY A 732
SER A 731
TRP A 926
 None
 1.35A 2a58C-4yswA:
undetectable
2a58D-4yswA:
2.1		 2a58C-4yswA:
8.61
2a58D-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 ILE A  83
TRP A  54
GLY A 250
SER A 249
LEU A  26
 AMP  A 304 (-3.8A)
None
None
None
None
 1.26A 2a58C-5b8hA:
undetectable
2a58D-5b8hA:
undetectable		 2a58C-5b8hA:
20.48
2a58D-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 HIS A 243
TYR A 396
GLY A 398
GLU A 507
HIS A 298
 None
 1.35A 2a58C-5by3A:
4.2
2a58D-5by3A:
4.2		 2a58C-5by3A:
12.27
2a58D-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 ILE A 116
HIS A  99
GLY A   7
LEU A  24
HIS A  94
 None
 1.42A 2a58C-5d01A:
5.2
2a58D-5d01A:
3.9		 2a58C-5d01A:
19.05
2a58D-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 HIS E 434
ALA B  56
GLY B  50
SER B  35
LEU B 100
 None
 1.25A 2a58C-5d1xE:
undetectable
2a58D-5d1xE:
undetectable		 2a58C-5d1xE:
21.15
2a58D-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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		5 ILE A 539
HIS A 521
GLY A 515
TRP A 543
LEU A 622
 None
 1.45A 2a58C-5e3cA:
undetectable
2a58D-5e3cA:
undetectable		 2a58C-5e3cA:
12.31
2a58D-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 ILE A 105
ALA A 103
GLY A  39
SER A  58
LEU A  60
 None
 1.34A 2a58C-5eb9A:
undetectable
2a58D-5eb9A:
undetectable		 2a58C-5eb9A:
19.51
2a58D-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 ILE A 267
HIS A 320
ALA A 291
GLY A 156
LEU A 217
 None
 1.38A 2a58C-5eioA:
undetectable
2a58D-5eioA:
undetectable		 2a58C-5eioA:
20.85
2a58D-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 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 2a58C-5ergB:
undetectable
2a58D-5ergB:
undetectable		 2a58C-5ergB:
18.68
2a58D-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
 1.16A 2a58C-5exeA:
3.2
2a58D-5exeA:
3.2		 2a58C-5exeA:
18.32
2a58D-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 ILE A  16
ALA A 190
GLY A 197
LEU A  33
HIS A  40
 None
 1.38A 2a58C-5f8zA:
undetectable
2a58D-5f8zA:
undetectable		 2a58C-5f8zA:
24.05
2a58D-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 ILE A  16
ALA A 190
GLY A 197
LEU A  33
HIS A  40
 None
 1.38A 2a58C-5gvtA:
undetectable
2a58D-5gvtA:
undetectable		 2a58C-5gvtA:
19.63
2a58D-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 HIS A2401
ALA A1428
GLY A2391
GLU A2388
LEU A2379
 None
 1.21A 2a58C-5h64A:
undetectable
2a58D-5h64A:
undetectable		 2a58C-5h64A:
5.11
2a58D-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 ILE A 380
ALA A 312
GLY A 308
SER A 307
LEU A 715
 None
None
MGD  A2002 (-3.5A)
MGD  A2002 ( 3.9A)
None
 1.43A 2a58C-5nqdA:
2.5
2a58D-5nqdA:
undetectable		 2a58C-5nqdA:
18.75
2a58D-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 ILE A 200
HIS A 176
ALA A 162
GLY A 150
LEU A 221
 None
ACT  A 406 ( 4.0A)
None
None
None
 1.31A 2a58C-5u63A:
5.3
2a58D-5u63A:
5.3		 2a58C-5u63A:
21.88
2a58D-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 HIS A 395
GLY A 207
SER A 206
LEU A 266
HIS A 178
 None
 1.46A 2a58C-5w70A:
2.0
2a58D-5w70A:
2.0		 2a58C-5w70A:
17.08
2a58D-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 HIS A 384
ALA A 367
GLY A  20
SER A  21
HIS A  26
 None
 1.38A 2a58C-5xaoA:
3.9
2a58D-5xaoA:
4.8		 2a58C-5xaoA:
16.55
2a58D-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 ILE A 512
HIS A 565
GLY A 525
SER A 526
LEU A 580
 None
 1.25A 2a58C-5xv7A:
undetectable
2a58D-5xv7A:
undetectable		 2a58C-5xv7A:
21.15
2a58D-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 ILE A 481
HIS A 440
TYR A 419
GLY A 299
SER A 298
 None
None
None
None
NI  A 603 (-3.2A)
 1.27A 2a58C-5yqwA:
2.2
2a58D-5yqwA:
2.2		 2a58C-5yqwA:
14.63
2a58D-5yqwA:
14.63