SIMILAR PATTERNS OF AMINO ACIDS FOR 5GWX_A_SAMA301_0

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.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		5 GLY A 253
GLY A 161
SER A 164
GLY A  27
LEU A 143
 None
 1.05A 5gwxA-1a8qA:
2.5		 5gwxA-1a8qA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c1d L-PHENYLALANINE
DEHYDROGENASE

(Rhodococcus sp.) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 287
GLY A 156
GLY A 316
GLY A 259
LEU A 280
 None
 0.95A 5gwxA-1c1dA:
6.2		 5gwxA-1c1dA:
21.01
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A  21
GLY A 176
SER A 177
GLY A 382
SER A 380
 None
ADP  A4000 (-3.2A)
CL  A4012 ( 4.1A)
None
None
 1.03A 5gwxA-1c30A:
4.0		 5gwxA-1c30A:
14.30
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN 2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF00675
(Peptidase_M16) 		5 PHE B  78
GLY A 285
SER A 286
GLY B  75
LEU A 279
 None
 1.06A 5gwxA-1ezvB:
undetectable		 5gwxA-1ezvB:
22.10
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 390
PHE A 426
GLY A 264
GLY A 359
LEU A 126
 None
 1.09A 5gwxA-1i41A:
4.3		 5gwxA-1i41A:
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 179
GLY A 425
GLY A 174
GLY A 138
LEU A 166
 None
 0.92A 5gwxA-1itzA:
undetectable		 5gwxA-1itzA:
18.10
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ALA A 352
GLY A 105
GLY A 355
SER A 107
SER A 350
 None
None
CL  A 503 (-3.5A)
CL  A 503 (-3.1A)
None
 1.12A 5gwxA-1kplA:
undetectable		 5gwxA-1kplA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 167
GLY A 469
GLY A 275
GLY A 163
SER A 282
 None
 1.11A 5gwxA-1lamA:
undetectable		 5gwxA-1lamA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 PHE A  74
GLY A 938
SER A 937
ARG A 331
GLY A 883
 None
 1.04A 5gwxA-1lshA:
undetectable		 5gwxA-1lshA:
13.04
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE
METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02964
(MeMO_Hyd_G) 		5 ALA D  47
GLY D 195
SER D 194
GLY G 131
HIS G 111
 None
 1.10A 5gwxA-1mtyD:
undetectable		 5gwxA-1mtyD:
19.15
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 ALA A 136
GLY A 134
GLY A 149
GLY A 140
LEU A 200
 None
 1.10A 5gwxA-1ocmA:
undetectable		 5gwxA-1ocmA:
18.27
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A 977
GLY A 974
GLY A 948
SER A 947
HIS A1006
 AKG  A2510 (-3.2A)
None
None
None
None
 1.09A 5gwxA-1ofeA:
2.8		 5gwxA-1ofeA:
10.88
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.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 6 ALA A 100
GLY A  96
MET A 137
GLY A  19
SER A  12
LEU A  81
 None
 1.13A 5gwxA-1oy1A:
3.9		 5gwxA-1oy1A:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		6 ALA A  64
GLY A  66
MET A  90
TRP A 117
GLY A 137
LEU A 143
 None
 1.01A 5gwxA-1r8yA:
24.4		 5gwxA-1r8yA:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		6 ALA A  64
GLY A  66
SER A  87
MET A  90
TRP A 117
GLY A 137
 None
 0.76A 5gwxA-1r8yA:
24.4		 5gwxA-1r8yA:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		7 ALA A  64
GLY A  66
SER A  87
TRP A 117
GLY A 137
SER A 139
HIS A 142
 None
 0.78A 5gwxA-1r8yA:
24.4		 5gwxA-1r8yA:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		7 ALA A  64
GLY A  66
TRP A 117
GLY A 137
SER A 139
HIS A 142
LEU A 143
 None
 0.79A 5gwxA-1r8yA:
24.4		 5gwxA-1r8yA:
31.15
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.
1u10 PENICILLIN-INSENSITI
VE MUREIN
ENDOPEPTIDASE

(Escherichia
coli) 		PF03411
(Peptidase_M74) 		5 ALA A  48
GLY A  32
SER A  33
GLY A 116
LEU A 268
 None
 1.11A 5gwxA-1u10A:
undetectable		 5gwxA-1u10A:
21.32
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.
1uep MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  47
GLY A  45
GLY A  21
SER A  20
GLY A  51
 None
 0.96A 5gwxA-1uepA:
undetectable		 5gwxA-1uepA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 ALA A  46
GLY A  48
MET A  72
SER A 112
HIS A 115
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.94A 5gwxA-1ve3A:
20.3		 5gwxA-1ve3A:
22.76
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 ALA A  46
GLY A  48
PHE A  52
MET A  72
HIS A 115
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.8A)
 1.00A 5gwxA-1ve3A:
20.3		 5gwxA-1ve3A:
22.76
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 ALA A  46
GLY A  48
PHE A  52
SER A  69
MET A  72
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
 0.94A 5gwxA-1ve3A:
20.3		 5gwxA-1ve3A:
22.76
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 ALA A  46
GLY A  48
SER A  69
MET A  72
SER A 112
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
 0.41A 5gwxA-1ve3A:
20.3		 5gwxA-1ve3A:
22.76
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.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A 120
SER A 121
MET A  18
GLY A  67
SER A  98
 None
 1.07A 5gwxA-1xmpA:
2.7		 5gwxA-1xmpA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 ALA A  46
GLY A  48
SER A  69
MET A  72
SER A 112
 None
 0.43A 5gwxA-1y8cA:
21.6		 5gwxA-1y8cA:
26.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		5 ALA A 284
GLY A 286
GLY A  80
HIS A  28
LEU A  27
 None
 1.11A 5gwxA-1zc6A:
undetectable		 5gwxA-1zc6A:
21.01
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 ALA A 353
GLY A 541
GLY A 538
GLY A 562
LEU A 428
 None
MG  A1609 ( 4.6A)
None
None
None
 1.11A 5gwxA-2bxyA:
2.0		 5gwxA-2bxyA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  54
GLY A  51
SER A  59
GLY A 183
LEU A 341
 FAD  A1524 (-3.4A)
FAD  A1524 ( 4.8A)
None
FAD  A1524 ( 3.7A)
None
 1.06A 5gwxA-2c3dA:
3.0		 5gwxA-2c3dA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  51
GLY A  58
SER A  59
GLY A 183
LEU A 341
 FAD  A1524 ( 4.8A)
None
None
FAD  A1524 ( 3.7A)
None
 0.88A 5gwxA-2c3dA:
3.0		 5gwxA-2c3dA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dlu INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  51
GLY A  49
GLY A  27
SER A  26
GLY A  55
 None
 1.00A 5gwxA-2dluA:
undetectable		 5gwxA-2dluA:
20.29
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		5 GLY A 350
GLY A 357
GLY A 148
HIS A  99
LEU A 126
 None
None
None
ZN  A 500 (-3.2A)
None
 0.99A 5gwxA-2imrA:
undetectable		 5gwxA-2imrA:
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.
2iou MAJOR TROPISM
DETERMINANT P1

(Bordetella
virus BPP1) 		no annotation 5 ALA A 262
GLY A 264
GLY A 298
GLY A 352
LEU A 195
 None
 1.00A 5gwxA-2iouA:
undetectable		 5gwxA-2iouA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A  53
GLY A 277
GLY A 302
SER A 306
LEU A 356
 None
 0.87A 5gwxA-2pceA:
undetectable		 5gwxA-2pceA:
21.39
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 ALA A  13
GLY A  15
GLY A 254
SER A 255
GLY A 124
 None
 1.01A 5gwxA-2pfkA:
undetectable		 5gwxA-2pfkA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 ALA A  94
GLY A 244
GLY A  79
HIS A  91
LEU A 292
 YSA  A 384 ( 3.7A)
YSA  A 384 (-2.5A)
YSA  A 384 (-3.2A)
YSA  A 384 (-4.1A)
None
 0.96A 5gwxA-2pidA:
2.5		 5gwxA-2pidA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2prf PROFILIN IA

(Acanthamoeba
sp.) 		PF00235
(Profilin) 		5 ALA A  84
GLY A  82
GLY A  79
HIS A  66
LEU A  62
 None
 0.87A 5gwxA-2prfA:
undetectable		 5gwxA-2prfA:
20.46
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		5 ALA A  39
GLY A  52
GLY A  92
GLY A  13
SER A  17
 None
 1.12A 5gwxA-2vc2A:
undetectable		 5gwxA-2vc2A:
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.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 270
PHE A 303
GLY A 274
SER A 273
SER A  77
 NAP  A1372 (-3.3A)
NAP  A1372 (-4.9A)
None
NAP  A1372 (-4.8A)
DIF  A1373 (-3.0A)
 1.05A 5gwxA-2wekA:
7.6		 5gwxA-2wekA:
20.27
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.
2xqy A13-D6.3 MONOCLONAL
ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY G  93
GLY G  49
MET G  34
GLY G 106
LEU G  82
 None
 1.13A 5gwxA-2xqyG:
undetectable		 5gwxA-2xqyG:
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		5 GLY A 242
GLY A 208
SER A 215
GLY A  18
LEU A  11
 None
 1.04A 5gwxA-3bleA:
undetectable		 5gwxA-3bleA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		6 ALA A  46
GLY A  48
SER A  69
MET A  72
SER A 108
LEU A 112
 SAM  A 238 (-3.2A)
SAM  A 238 ( 3.7A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.2A)
None
 0.81A 5gwxA-3bxoA:
22.9		 5gwxA-3bxoA:
23.53
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  42
SER A  62
MET A  65
SER A 105
LEU A 109
 None
 0.69A 5gwxA-3d2lA:
21.6		 5gwxA-3d2lA:
24.75
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  52
SER A  74
MET A  77
GLY A 118
SER A 119
 SAM  A 220 (-3.2A)
GOL  A 222 ( 3.2A)
SAM  A 220 ( 3.8A)
SAM  A 220 (-4.7A)
SAM  A 220 (-2.8A)
 1.05A 5gwxA-3dlcA:
16.6		 5gwxA-3dlcA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
SER A  75
MET A  78
HIS A 119
LEU A 120
 None
 0.95A 5gwxA-3dtnA:
16.9		 5gwxA-3dtnA:
24.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
SER A  75
MET A  78
SER A 116
HIS A 119
 None
 0.84A 5gwxA-3dtnA:
16.9		 5gwxA-3dtnA:
24.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		5 ALA A  70
GLY A 113
GLY A 150
SER A 154
LEU A 158
 None
 0.95A 5gwxA-3h0lA:
undetectable		 5gwxA-3h0lA:
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		5 ALA A 176
GLY A 180
GLY A 210
GLY A 445
SER A 433
 None
 1.12A 5gwxA-3h0lA:
undetectable		 5gwxA-3h0lA:
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 ALA A 182
GLY A 178
SER A 206
GLY A  83
LEU A 392
 None
 1.12A 5gwxA-3h2iA:
2.0		 5gwxA-3h2iA:
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.
3hfw PROTEIN
ADP-RIBOSYLARGININE
HYDROLASE

(Homo sapiens) 		PF03747
(ADP_ribosyl_GH) 		5 ALA A 135
GLY A 139
GLY A 159
SER A 158
LEU A  79
 None
 1.08A 5gwxA-3hfwA:
undetectable		 5gwxA-3hfwA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  55
SER A  76
MET A  79
HIS A 118
LEU A 119
 None
 0.93A 5gwxA-3hnrA:
17.6		 5gwxA-3hnrA:
24.13
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 GLY A 836
GLY A 868
SER A 910
ARG A 957
GLY A 839
 None
 1.05A 5gwxA-3hx6A:
undetectable		 5gwxA-3hx6A:
20.68
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 GLY A 206
SER A 225
GLY A  96
HIS A  23
LEU A  24
 None
None
None
FE  A 444 ( 3.4A)
None
 0.91A 5gwxA-3ib7A:
2.1		 5gwxA-3ib7A:
22.54
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.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]

(Escherichia
coli) 		PF00171
(Aldedh) 		5 ALA A  26
GLY A 210
SER A 211
SER A  40
LEU A 189
 None
 1.04A 5gwxA-3jz4A:
3.3		 5gwxA-3jz4A:
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.
3kbe SUPEROXIDE DISMUTASE
[CU-ZN]

(Caenorhabditis
elegans) 		PF00080
(Sod_Cu) 		5 ALA A 147
GLY A 149
GLY A  55
SER A  52
GLY A  15
 None
 0.97A 5gwxA-3kbeA:
undetectable		 5gwxA-3kbeA:
18.79
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.
3kmh D-LYXOSE ISOMERASE

(Escherichia
coli) 		PF07385
(Lyx_isomer) 		5 GLY A 116
GLY A 185
GLY A 180
HIS A  93
LEU A  68
 None
 1.06A 5gwxA-3kmhA:
undetectable		 5gwxA-3kmhA:
28.52
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.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 ALA A 270
GLY A 248
GLY A 251
SER A 252
GLY A 137
 None
 1.06A 5gwxA-3l49A:
undetectable		 5gwxA-3l49A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 ALA A 256
GLY A 258
GLY A 226
GLY A 280
LEU A 324
 SO4  A 431 (-3.5A)
None
None
None
None
 1.03A 5gwxA-3mtwA:
undetectable		 5gwxA-3mtwA:
22.33
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.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		6 ALA A  54
GLY A  56
GLY A  76
SER A  77
MET A  80
HIS A 119
 SAM  A 300 (-3.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-4.5A)
SAM  A 300 (-4.0A)
SO4  A 301 (-4.0A)
 0.79A 5gwxA-3ou6A:
16.1		 5gwxA-3ou6A:
23.97
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.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA B 108
GLY B 189
GLY B 116
SER B 119
LEU B 128
 None
7MN  B   2 ( 3.8A)
None
None
None
 1.03A 5gwxA-3pr2B:
undetectable		 5gwxA-3pr2B:
22.36
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		6 ALA A  58
GLY A  60
SER A  81
MET A  84
SER A 120
LEU A 124
 SAH  A 263 (-3.5A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.3A)
None
 0.91A 5gwxA-3px2A:
22.7		 5gwxA-3px2A:
23.76
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 GLY A  60
SER A  81
MET A  84
ARG A 103
LEU A 124
 SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 ( 4.7A)
None
 0.70A 5gwxA-3px2A:
22.7		 5gwxA-3px2A:
23.76
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.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 ALA A 145
GLY A 174
GLY A 142
GLY A  74
SER A 148
 None
None
None
CIT  A 347 (-3.2A)
CIT  A 347 (-3.6A)
 0.92A 5gwxA-3qslA:
undetectable		 5gwxA-3qslA:
22.34
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 ALA A   9
GLY A 101
GLY A  14
ARG A 163
GLY A  37
 None
None
UD1  A 366 (-3.1A)
UD1  A 366 (-3.4A)
None
 0.99A 5gwxA-3s2uA:
4.3		 5gwxA-3s2uA:
21.22
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		5 ALA A 148
GLY A 145
PHE A  40
GLY A 170
GLY A 151
 None
None
BOG  A 501 (-4.5A)
None
CA  A 505 (-3.5A)
 1.02A 5gwxA-3tb4A:
3.5		 5gwxA-3tb4A:
21.99
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 186
GLY A 438
GLY A 181
GLY A 145
LEU A 173
 None
None
None
None
OCS  A 177 ( 4.1A)
 0.86A 5gwxA-3uk1A:
2.9		 5gwxA-3uk1A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7n THREONINE SYNTHASE

(Burkholderia
thailandensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 159
SER A 160
ARG A 240
GLY A 168
LEU A 133
 None
None
BO3  A 487 (-2.8A)
None
None
 1.10A 5gwxA-3v7nA:
2.3		 5gwxA-3v7nA:
19.42
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ALA A 319
GLY A 347
SER A 346
MET A 342
LEU A 263
 None
 1.05A 5gwxA-3x0yA:
undetectable		 5gwxA-3x0yA:
21.18
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.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 GLY A 202
GLY A 324
GLY A 354
SER A 357
LEU A 364
 ANP  A1401 (-3.1A)
ANP  A1401 (-3.3A)
ANP  A1401 (-2.8A)
ANP  A1401 (-2.6A)
None
 1.08A 5gwxA-3zlbA:
4.6		 5gwxA-3zlbA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A  95
GLY A 279
GLY A 472
SER A 473
LEU A  92
 None
 1.12A 5gwxA-4bc5A:
undetectable		 5gwxA-4bc5A:
17.96
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 GLY A 200
GLY A 322
GLY A 352
SER A 355
LEU A 362
 None
 1.09A 5gwxA-4dg5A:
3.8		 5gwxA-4dg5A:
22.38
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A 111
GLY A 107
GLY A 147
ARG A 152
GLY A  15
 None
SO4  A 607 (-3.4A)
None
None
None
 0.98A 5gwxA-4e6eA:
2.1		 5gwxA-4e6eA:
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 133
GLY A 335
SER A 339
GLY A 158
LEU A 234
 None
 0.83A 5gwxA-4efiA:
undetectable		 5gwxA-4efiA:
24.32
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.
4ese FMN-DEPENDENT
NADH-AZOREDUCTASE

(Yersinia pestis) 		PF02525
(Flavodoxin_2) 		5 ALA A 178
GLY A 180
SER A  15
GLY A 176
LEU A 138
 None
 1.13A 5gwxA-4eseA:
2.4		 5gwxA-4eseA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 ALA A 249
GLY A 223
SER A 222
GLY A 269
HIS A 309
 None
None
HC4  A 401 (-2.4A)
None
HC4  A 401 (-3.8A)
 1.03A 5gwxA-4eyoA:
4.4		 5gwxA-4eyoA:
20.16
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.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 ALA A 365
GLY A 374
SER A 375
GLY A 363
SER A 360
 ALA  A 365 ( 0.0A)
GLY  A 374 ( 0.0A)
SER  A 375 ( 0.0A)
GLY  A 363 ( 0.0A)
SER  A 360 ( 0.0A)
 1.11A 5gwxA-4g9kA:
3.1		 5gwxA-4g9kA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 269
GLY A 305
SER A 306
GLY A 224
LEU A 172
 LLP  A  41 ( 3.6A)
LLP  A  41 ( 3.9A)
None
None
LLP  A  41 ( 4.9A)
 1.12A 5gwxA-4h27A:
2.9		 5gwxA-4h27A:
26.32
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 PHE A 237
GLY A  81
MET A 291
GLY A 149
LEU A 105
 None
None
BGC  A 901 ( 4.0A)
None
None
 1.05A 5gwxA-4i3gA:
2.8		 5gwxA-4i3gA:
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A  12
GLY A 233
GLY A 346
GLY A  17
SER A  23
LEU A 354
 None
None
None
None
None
GOL  A 503 (-4.9A)
 1.23A 5gwxA-4ls5A:
undetectable		 5gwxA-4ls5A:
23.20
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  62
MET A  87
SER A 126
HIS A 129
LEU A 130
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
None
 0.81A 5gwxA-4mwzA:
17.2		 5gwxA-4mwzA:
25.97
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 GLY A 208
GLY A 119
ARG A 189
GLY A 204
LEU A 218
 None
 1.01A 5gwxA-4nmwA:
undetectable		 5gwxA-4nmwA:
23.39
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.
4nqz ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH] FABI

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A  21
GLY A 229
MET A  28
GLY A  13
SER A  93
 None
 1.11A 5gwxA-4nqzA:
6.5		 5gwxA-4nqzA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiu NITRONATE
MONOOXYGENASE FAMILY
PROTEIN

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 ALA A 326
GLY A 181
ARG A 255
GLY A 329
LEU A 244
 None
FMN  A 401 (-3.7A)
None
None
None
 1.10A 5gwxA-4qiuA:
undetectable		 5gwxA-4qiuA:
22.31
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 GLY B  57
SER B  79
MET B  82
ARG B 136
LEU B 123
 SAM  B 301 (-3.3A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-4.4A)
SAM  B 301 ( 4.6A)
CSO  B 124 ( 4.4A)
 0.97A 5gwxA-4qtuB:
17.4		 5gwxA-4qtuB:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A3321
GLY A3564
GLY A3501
SER A3560
HIS A3455
 None
 1.08A 5gwxA-4tktA:
undetectable		 5gwxA-4tktA:
18.20
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 ALA A2651
GLY A2649
GLY A2637
SER A2636
LEU A2698
 None
 0.98A 5gwxA-4tvcA:
undetectable		 5gwxA-4tvcA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ALA A  23
GLY A  18
SER A  16
GLY A 296
LEU A 287
 None
None
NAD  A 501 (-3.6A)
None
None
 0.98A 5gwxA-4zqgA:
3.6		 5gwxA-4zqgA:
21.58
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		5 ALA A  53
GLY A  55
SER A  76
MET A  79
SER A 115
 SAH  A 301 (-3.3A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.5A)
 0.64A 5gwxA-5bszA:
19.8		 5gwxA-5bszA:
25.08
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 ALA B 402
GLY B 383
GLY B 343
SER B 345
LEU B 375
 None
 0.97A 5gwxA-5dlqB:
undetectable		 5gwxA-5dlqB:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 GLY B 383
SER B 385
GLY B 343
SER B 345
LEU B 375
 None
 1.11A 5gwxA-5dlqB:
undetectable		 5gwxA-5dlqB:
13.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		11 ALA A  67
GLY A  69
PHE A  72
GLY A  89
SER A  90
MET A  93
TRP A 115
ARG A 116
GLY A 133
SER A 135
LEU A 139
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.3A)
None
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-3.1A)
None
 0.35A 5gwxA-5h02A:
41.5		 5gwxA-5h02A:
98.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		6 GLY A  89
SER A  90
MET A  93
TRP A 115
HIS A 138
LEU A 139
 SAH  A 301 (-3.4A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
None
 1.26A 5gwxA-5h02A:
41.5		 5gwxA-5h02A:
98.24
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A 862
GLY A 860
SER A 892
GLY A 828
LEU A 852
 None
 1.01A 5gwxA-5hjrA:
undetectable		 5gwxA-5hjrA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 ALA A  47
GLY A  49
PHE A  52
SER A  71
MET A  74
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.6A)
None
SAH  A 301 ( 4.8A)
SAH  A 301 ( 4.5A)
 0.66A 5gwxA-5je3A:
20.1		 5gwxA-5je3A:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 207
SER A 547
ARG A 798
GLY A  74
HIS A  67
 None
 1.07A 5gwxA-5k6oA:
undetectable		 5gwxA-5k6oA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 428
PHE A 423
GLY A 232
GLY A 244
HIS A 281
 None
 1.07A 5gwxA-5vm1A:
undetectable		 5gwxA-5vm1A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A 189
MET A 194
GLY A 125
SER A 123
LEU A 168
 None
 0.91A 5gwxA-5vpuA:
3.9		 5gwxA-5vpuA:
20.79
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.
5w6t HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 100
PHE A 102
GLY A 228
GLY A 181
LEU A 194
 None
 1.12A 5gwxA-5w6tA:
undetectable		 5gwxA-5w6tA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 ALA A 152
GLY A 149
PHE A  44
GLY A 174
GLY A 155
 None
 1.03A 5gwxA-5wxvA:
3.2		 5gwxA-5wxvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 GLY A 167
GLY A 235
SER A 236
GLY A 170
SER A 212
 None
 0.90A 5gwxA-5zbiA:
2.4		 5gwxA-5zbiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 5 ALA A 162
GLY A 170
GLY A 166
SER A 167
GLY A 189
 None
None
ACT  A 402 (-4.3A)
None
None
 1.01A 5gwxA-6dgiA:
undetectable		 5gwxA-6dgiA:
undetectable