SIMILAR PATTERNS OF AMINO ACIDS FOR 3SG9_B_KANB305

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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ASN A 843
ASP A 763
HIS A 781
GLU A 916
 K  A4008 (-3.3A)
None
K  A4009 (-3.9A)
None
 1.13A 3sg9B-1c30A:
1.5		 3sg9B-1c30A:
14.63
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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		4 ASP P 152
SER P 150
HIS P 229
GLU P 481
 None
DDZ  P  69 ( 4.9A)
None
None
 0.90A 3sg9B-1e33P:
undetectable		 3sg9B-1e33P:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ASN A 289
HIS A 368
ASP A 366
GLU A 216
 GKR  A 499 ( 2.9A)
GKR  A 499 (-4.1A)
None
None
 1.03A 3sg9B-1jctA:
0.0		 3sg9B-1jctA:
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.
1jih DNA POLYMERASE ETA

(Saccharomyces
cerevisiae) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 ASP A  30
SER A 275
HIS A  28
ASP A 155
 None
 1.15A 3sg9B-1jihA:
undetectable		 3sg9B-1jihA:
19.62
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 309
ASP A 101
GLU A 343
GLU A 333
 None
 1.00A 3sg9B-1n8pA:
0.2		 3sg9B-1n8pA:
21.46
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.
1t8b PHOSPHATE TRANSPORT
SYSTEM PROTEIN PHOU
HOMOLOG

(Aquifex
aeolicus) 		PF01895
(PhoU) 		4 ASP A 160
HIS A 164
ASP A 157
GLU A 100
 None
 1.13A 3sg9B-1t8bA:
undetectable		 3sg9B-1t8bA:
21.50
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		4 ASP A  92
HIS A 144
ASP A 184
GLU A 189
 CA  A1194 (-2.4A)
None
CA  A1192 (-2.2A)
None
 1.06A 3sg9B-1uwwA:
undetectable		 3sg9B-1uwwA:
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.
1v5z MAJOR NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Aliivibrio
fischeri) 		PF00881
(Nitroreductase) 		4 ASP A  98
SER A 102
GLU A 112
GLU A 113
 None
 1.08A 3sg9B-1v5zA:
1.7		 3sg9B-1v5zA:
22.22
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 712
SER A 740
HIS A 824
TRP A 645
 None
 1.04A 3sg9B-1xfdA:
1.3		 3sg9B-1xfdA:
18.37
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.
1z1z MINOR TAIL PROTEIN U

(Escherichia
virus Lambda) 		PF06141
(Phage_tail_U) 		4 ASP A 122
HIS A  63
ASP A 108
GLU A  33
 None
 1.00A 3sg9B-1z1zA:
undetectable		 3sg9B-1z1zA:
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 ASP A 736
SER A 705
HIS A 391
ASP A 737
 CF5  A 841 ( 2.5A)
None
ZN  A 840 ( 3.2A)
CF5  A 841 (-2.5A)
 1.04A 3sg9B-2a3lA:
undetectable		 3sg9B-2a3lA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 ASP A 736
SER A 734
HIS A 391
ASP A 737
 CF5  A 841 ( 2.5A)
None
ZN  A 840 ( 3.2A)
CF5  A 841 (-2.5A)
 0.94A 3sg9B-2a3lA:
undetectable		 3sg9B-2a3lA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		4 ASP A 548
SER A 558
ASP A 346
GLU A 575
 MG  A 800 (-2.8A)
None
MG  A 800 (-3.3A)
None
 1.09A 3sg9B-2b0tA:
undetectable		 3sg9B-2b0tA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8q ALKALINE
THERMOSTABLE
ENDOXYLANASE

(Bacillus sp.
NG-27) 		PF00331
(Glyco_hydro_10) 		4 ASN A 328
ASP A 334
SER A 263
GLU A 282
 None
 1.07A 3sg9B-2f8qA:
0.6		 3sg9B-2f8qA:
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.
2i6x HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Porphyromonas
gingivalis) 		PF13419
(HAD_2) 		4 ASN A 192
ASP A   8
SER A 108
GLU A  50
 None
 1.00A 3sg9B-2i6xA:
undetectable		 3sg9B-2i6xA:
21.00
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 ASN A 390
ASP A 349
SER A 437
HIS A 435
 None
 1.12A 3sg9B-2iceA:
undetectable		 3sg9B-2iceA:
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.
2kvt UNCHARACTERIZED
PROTEIN YAIA

(Escherichia
coli) 		PF16362
(YaiA) 		4 SER A  42
HIS A  44
ASP A  52
GLU A  65
 None
 0.85A 3sg9B-2kvtA:
undetectable		 3sg9B-2kvtA:
13.20
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.
2lm0 AF4/FMR2 FAMILY
MEMBER 1/PROTEIN
AF-9 CHIMERA

(Homo sapiens) 		PF05110
(AF-4) 		4 ASP A1546
SER A1549
HIS A1535
GLU A1498
 None
 0.99A 3sg9B-2lm0A:
undetectable		 3sg9B-2lm0A:
17.17
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ASP A 378
SER A 368
HIS A 366
ASP A  23
 None
None
C8E  A 393 ( 4.4A)
None
 1.09A 3sg9B-2qtkA:
undetectable		 3sg9B-2qtkA:
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.
2x56 COAGULASE/FIBRINOLYS
IN

(Yersinia pestis) 		PF01278
(Omptin) 		4 ASP A  83
SER A 100
HIS A  98
ASP A  44
 None
 1.15A 3sg9B-2x56A:
undetectable		 3sg9B-2x56A:
21.56
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		4 ASN A  98
ASP A 150
SER A 194
ASP A 151
 None
CA  A 401 ( 4.8A)
None
CA  A 401 ( 4.4A)
 1.12A 3sg9B-2z0jA:
undetectable		 3sg9B-2z0jA:
19.61
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.
3acf BETA-1,4-ENDOGLUCANA
SE

([Clostridium]
josui) 		PF03424
(CBM_17_28) 		4 ASP A 102
HIS A 155
ASP A 198
GLU A 203
 None
None
CA  A 204 (-2.2A)
None
 0.98A 3sg9B-3acfA:
undetectable		 3sg9B-3acfA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3u 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ASP A  64
SER A  41
HIS A  67
GLU A 155
 None
 1.14A 3sg9B-3d3uA:
undetectable		 3sg9B-3d3uA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		4 ASN A 185
ASP A 180
GLU A 328
TRP A 158
 None
 1.03A 3sg9B-3f5fA:
undetectable		 3sg9B-3f5fA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ASN A 168
ASP A 223
SER A 537
ASP A 220
 None
 1.15A 3sg9B-3fedA:
undetectable		 3sg9B-3fedA:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		4 ASP A 192
SER A 194
ASP A 213
TRP A 265
 LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.5A)
LLL  A 500 (-3.8A)
 0.88A 3sg9B-3hamA:
20.9		 3sg9B-3hamA:
34.56
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		4 ASN A  98
ASP A 315
HIS A  63
GLU A 188
 None
ZN  A 447 (-2.8A)
ZN  A 447 (-3.5A)
None
 1.04A 3sg9B-3hm7A:
undetectable		 3sg9B-3hm7A:
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.
3hyf REVERSE
TRANSCRIPTASE/RNASEH

(Escherichia
coli;
Human
immunodeficiency
virus 1) 		PF00075
(RNase_H) 		4 ASN A 474
ASP A 549
HIS A 539
ASP A 443
 GOL  A 699 (-3.8A)
MN  A 602 ( 3.2A)
ON1  A 701 (-3.8A)
MN  A 602 (-2.5A)
 0.89A 3sg9B-3hyfA:
undetectable		 3sg9B-3hyfA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5m PUTATIVE
LEUCOANTHOCYANIDIN
REDUCTASE 1

(Vitis vinifera) 		PF05368
(NmrA) 		4 ASP A 292
SER A 218
HIS A 220
GLU A 148
 None
 1.01A 3sg9B-3i5mA:
undetectable		 3sg9B-3i5mA:
21.29
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.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		4 SER A 117
HIS A 118
ASP A 120
GLU A 100
 None
 0.90A 3sg9B-3k25A:
0.8		 3sg9B-3k25A:
21.81
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		4 ASN A 333
SER A 234
GLU A 390
GLU A 293
 None
 1.15A 3sg9B-3k2wA:
undetectable		 3sg9B-3k2wA:
21.24
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		4 ASP A 194
HIS A 150
ASP A 246
GLU A 203
 None
 1.15A 3sg9B-3k55A:
undetectable		 3sg9B-3k55A:
20.83
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		4 ASP A 194
SER A 153
HIS A 150
ASP A 246
 None
 1.11A 3sg9B-3k55A:
undetectable		 3sg9B-3k55A:
20.83
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.
3kzp PUTATIVE DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Listeria
monocytogenes) 		PF00563
(EAL) 		4 ASN A  78
ASP A 148
SER A 172
HIS A 175
 CA  A 240 ( 2.8A)
None
None
None
 0.89A 3sg9B-3kzpA:
1.3		 3sg9B-3kzpA:
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.
3kzp PUTATIVE DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Listeria
monocytogenes) 		PF00563
(EAL) 		4 ASP A 148
SER A 172
HIS A 175
GLU A  23
 None
 1.04A 3sg9B-3kzpA:
1.3		 3sg9B-3kzpA:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		6 ASN A  32
ASP A 197
SER A 199
HIS A 202
ASP A 220
TRP A 271
 None
 0.44A 3sg9B-3n4tA:
43.4		 3sg9B-3n4tA:
98.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		4 ASP A 197
HIS A 202
ASP A 220
TRP A 287
 None
 0.82A 3sg9B-3n4tA:
43.4		 3sg9B-3n4tA:
98.67
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.
3no3 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Parabacteroides
distasonis) 		PF03009
(GDPD) 		4 SER A 126
GLU A 123
GLU A  59
TRP A 222
 None
MG  A 301 ( 2.8A)
MG  A 301 ( 2.6A)
GOL  A 303 ( 3.8A)
 1.15A 3sg9B-3no3A:
undetectable		 3sg9B-3no3A:
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.
3owt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		4 ASP A 689
SER A 712
ASP A 687
GLU A 722
 None
 1.04A 3sg9B-3owtA:
undetectable		 3sg9B-3owtA:
23.65
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.
3pfr MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Actinobacillus
succinogenes) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 290
HIS A 369
ASP A 367
GLU A 217
 MG  A 456 ( 2.6A)
GKR  A 457 (-3.8A)
None
None
 1.05A 3sg9B-3pfrA:
undetectable		 3sg9B-3pfrA:
21.49
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 313
SER A 312
HIS A  21
GLU A 233
 None
None
None
MG  A 402 (-2.8A)
 1.15A 3sg9B-3s47A:
undetectable		 3sg9B-3s47A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 313
SER A 312
HIS A  21
GLU A 336
 None
 1.08A 3sg9B-3s47A:
undetectable		 3sg9B-3s47A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 ASP A 240
ASP A 272
GLU A 245
GLU A 286
 None
 1.02A 3sg9B-3sr3A:
undetectable		 3sg9B-3sr3A:
20.17
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ASN A 128
SER A 221
HIS A 223
ASP A 186
 MN  A 413 ( 2.2A)
None
None
None
 0.88A 3sg9B-3t1iA:
undetectable		 3sg9B-3t1iA:
22.20
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.
3t66 NICKEL ABC
TRANSPORTER
(NICKEL-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF00496
(SBP_bac_5) 		4 SER A 194
ASP A 212
GLU A 174
GLU A 165
 None
 1.05A 3sg9B-3t66A:
undetectable		 3sg9B-3t66A:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		4 ASP A 196
HIS A 201
ASP A 221
GLU A 288
 None
MG  A 501 ( 3.4A)
MG  A 503 ( 4.7A)
None
 0.94A 3sg9B-3tdwA:
29.5		 3sg9B-3tdwA:
30.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 SER A 172
HIS A 176
GLU A  68
GLU A  72
 None
 0.89A 3sg9B-3ufbA:
undetectable		 3sg9B-3ufbA:
19.25
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		4 ASN A 268
HIS A 348
ASP A 346
GLU A 201
 MG  A 425 ( 2.5A)
SO4  A 424 (-3.9A)
None
None
 1.06A 3sg9B-3va8A:
undetectable		 3sg9B-3va8A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		4 ASN A 270
HIS A 350
ASP A 348
GLU A 203
 NA  A 502 ( 2.6A)
ACT  A 504 (-4.0A)
None
None
 1.03A 3sg9B-3vdgA:
undetectable		 3sg9B-3vdgA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ASN A 434
SER A 381
HIS A 379
ASP A  77
GLU A 151
 None
 1.24A 3sg9B-3wc3A:
undetectable		 3sg9B-3wc3A:
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		4 SER X  44
HIS X  46
ASP X  57
GLU X 260
 None
 1.06A 3sg9B-4ac1X:
undetectable		 3sg9B-4ac1X:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 HIS A 526
ASP A 331
GLU A 498
GLU A 491
 None
 1.02A 3sg9B-4ah6A:
undetectable		 3sg9B-4ah6A:
18.96
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		4 ASN A 182
SER A 308
GLU A 365
GLU A 427
 IFL  A 504 (-3.5A)
None
IFL  A 503 (-3.0A)
IFL  A 503 (-2.9A)
 1.07A 3sg9B-4ayrA:
undetectable		 3sg9B-4ayrA:
21.05
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.
4c3s ALDEHYDE
DEHYDROGENASE

(Lachnoclostridium
phytofermentans) 		PF00171
(Aldedh) 		4 ASN A 138
SER A 388
HIS A 387
GLU A 272
 NAD  A1468 ( 3.9A)
None
NAD  A1468 (-4.0A)
None
 1.02A 3sg9B-4c3sA:
undetectable		 3sg9B-4c3sA:
21.27
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 ASP A1686
SER A1613
HIS A1471
GLU A1592
 ZN  A2822 (-2.6A)
FMT  A2827 (-3.8A)
ZN  A2822 ( 3.2A)
None
 1.09A 3sg9B-4c6oA:
undetectable		 3sg9B-4c6oA:
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.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ASP A 149
SER A 151
ASP A 157
TRP A 373
 None
 1.13A 3sg9B-4cvqA:
undetectable		 3sg9B-4cvqA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 SER A 186
HIS A 153
ASP A 302
GLU A 327
 None
FAD  A1588 (-4.4A)
FAD  A1588 (-2.9A)
None
 1.12A 3sg9B-4d5gA:
undetectable		 3sg9B-4d5gA:
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.
4di4 TATP(T) (TP0957)

(Treponema
pallidum) 		PF03480
(DctP) 		4 ASN B 272
ASP B 220
HIS B 283
GLU B 105
 None
 0.90A 3sg9B-4di4B:
undetectable		 3sg9B-4di4B:
21.49
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.
4f1h TYROSYL-DNA
PHOSPHODIESTERASE 2

(Danio rerio) 		PF03372
(Exo_endo_phos) 		4 ASP A 271
SER A 238
HIS A 235
ASP A 325
 None
 1.13A 3sg9B-4f1hA:
undetectable		 3sg9B-4f1hA:
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.
4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE

(Caenorhabditis
elegans) 		PF03372
(Exo_endo_phos) 		4 ASP A 271
ASP A 322
GLU A 278
GLU A 277
 MLI  A 403 ( 4.5A)
None
None
None
 1.13A 3sg9B-4fvaA:
undetectable		 3sg9B-4fvaA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE

(Caenorhabditis
elegans) 		PF03372
(Exo_endo_phos) 		4 ASP A 271
HIS A 232
ASP A 322
GLU A 277
 MLI  A 403 ( 4.5A)
MLI  A 403 (-4.1A)
None
None
 1.11A 3sg9B-4fvaA:
undetectable		 3sg9B-4fvaA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 ASN A 285
HIS A 364
ASP A 362
GLU A 212
 NA  A 502 (-3.3A)
SO4  A 501 (-3.9A)
None
None
 1.05A 3sg9B-4g8tA:
undetectable		 3sg9B-4g8tA:
20.99
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.
4gew 5'-TYROSYL-DNA
PHOSPHODIESTERASE

(Caenorhabditis
elegans) 		PF03372
(Exo_endo_phos)
PF14555
(UBA_4) 		4 ASP A 271
SER A 235
HIS A 232
ASP A 322
 GOL  A 401 (-2.6A)
GOL  A 401 (-2.4A)
GOL  A 401 (-3.7A)
None
 1.12A 3sg9B-4gewA:
undetectable		 3sg9B-4gewA:
21.59
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.
4gz2 TYROSYL-DNA
PHOSPHODIESTERASE 2

(Mus musculus) 		PF03372
(Exo_endo_phos) 		4 ASP A 272
SER A 239
HIS A 236
ASP A 326
 None
 1.14A 3sg9B-4gz2A:
undetectable		 3sg9B-4gz2A:
22.50
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 269
HIS A 349
ASP A 347
GLU A 202
 MG  A 501 (-2.5A)
TLA  A 502 (-4.7A)
None
None
 1.10A 3sg9B-4it1A:
undetectable		 3sg9B-4it1A:
20.66
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ASN A 160
ASP A 207
SER A 232
ASP A 181
 NAG  A 812 (-3.6A)
None
NAG  A 805 ( 4.8A)
NAG  A 811 (-3.9A)
 1.01A 3sg9B-4j0mA:
undetectable		 3sg9B-4j0mA:
16.67
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.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		4 ASN A 192
ASP A   8
SER A 108
GLU A  50
 None
NA  A 301 (-3.1A)
None
GOL  A 302 (-2.8A)
 1.05A 3sg9B-4jb3A:
undetectable		 3sg9B-4jb3A:
24.43
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 ASN A 143
SER A 271
HIS A 226
GLU A   8
 None
None
1DF  A 402 (-4.2A)
None
 1.04A 3sg9B-4ng3A:
undetectable		 3sg9B-4ng3A:
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASN A 231
SER A 333
GLU A 303
GLU A 307
 None
 1.07A 3sg9B-4nurA:
undetectable		 3sg9B-4nurA:
18.59
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		4 ASP A  49
HIS A  70
ASP A  46
GLU A 384
 None
 1.10A 3sg9B-4oalA:
undetectable		 3sg9B-4oalA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		4 ASP A 244
SER A 281
HIS A 294
GLU A 363
 ZN  A 404 (-2.4A)
None
G  A 402 (-3.6A)
None
 0.97A 3sg9B-4ojxA:
undetectable		 3sg9B-4ojxA:
21.59
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.
4py9 PUTATIVE
EXOPOLYPHOSPHATASE-R
ELATED PROTEIN

(Bacteroides
fragilis) 		PF01368
(DHH) 		4 ASP A 124
SER A 138
ASP A  99
GLU A 141
 NA  A 408 (-3.9A)
NA  A 408 (-2.3A)
None
None
 1.05A 3sg9B-4py9A:
undetectable		 3sg9B-4py9A:
21.11
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		4 ASN A  39
ASP A 115
SER A 130
ASP A  90
 RIP  A 401 (-3.2A)
RIP  A 401 (-2.8A)
None
None
 1.07A 3sg9B-4ry0A:
undetectable		 3sg9B-4ry0A:
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.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		4 ASN A 185
ASP A 180
GLU A 328
TRP A 158
 None
 1.10A 3sg9B-4xa2A:
undetectable		 3sg9B-4xa2A:
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		5 ASN A 184
ASP A 182
HIS A 119
GLU A 674
GLU A 676
 None
 1.16A 3sg9B-4zgvA:
undetectable		 3sg9B-4zgvA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A 225
HIS A 212
GLU A 234
GLU A 237
 FOM  A 503 (-2.5A)
FOM  A 503 ( 4.6A)
MG  A 502 ( 2.7A)
None
 1.14A 3sg9B-4zqgA:
undetectable		 3sg9B-4zqgA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 ASP A 145
SER A 144
GLU A 174
TRP A 204
 None
 0.94A 3sg9B-5a08A:
undetectable		 3sg9B-5a08A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		4 ASP A 313
SER A 355
HIS A 359
ASP A 314
 None
 1.08A 3sg9B-5bp8A:
undetectable		 3sg9B-5bp8A:
17.71
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.
5cfv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MALTOSE-BIND
ING PERIPLASMIC
PROTEIN,PILA FUSION
PROTEIN

(Acinetobacter
nosocomialis;
Escherichia
coli) 		PF00114
(Pilin)
PF01547
(SBP_bac_1) 		4 ASN A 185
ASP A 180
GLU A 328
TRP A 158
 None
None
GOL  A1205 (-2.5A)
None
 0.96A 3sg9B-5cfvA:
undetectable		 3sg9B-5cfvA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5css TRIOSEPHOSPHATE
ISOMERASE

(Thermoplasma
acidophilum) 		PF00121
(TIM) 		4 SER A  90
ASP A 140
GLU A 122
GLU A 121
 None
 1.11A 3sg9B-5cssA:
undetectable		 3sg9B-5cssA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esp I-PANMI

(Podospora
anserina) 		PF00961
(LAGLIDADG_1) 		4 ASN A 138
SER A 205
GLU A 177
GLU A  20
 None
None
CA  A 302 (-3.1A)
CA  A 301 (-3.0A)
 1.15A 3sg9B-5espA:
undetectable		 3sg9B-5espA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		4 SER A 325
ASP A 452
GLU A 352
GLU A 389
 LMT  A 602 (-3.3A)
ZN  A 603 (-2.3A)
None
None
 1.06A 3sg9B-5fgnA:
undetectable		 3sg9B-5fgnA:
20.61
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ASN A 168
ASP A  95
SER A  98
GLU A 116
GLU A 120
 None
SO4  A1357 ( 4.8A)
None
None
None
 1.42A 3sg9B-5fyqA:
undetectable		 3sg9B-5fyqA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		4 ASN A 257
HIS A 249
GLU A 491
GLU A 515
 None
 1.15A 3sg9B-5gsmA:
undetectable		 3sg9B-5gsmA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 ASP A 147
SER A 145
ASP A 305
GLU A 255
 ZN  A 902 (-1.8A)
None
ZN  A 901 (-2.2A)
None
 1.14A 3sg9B-5gz4A:
undetectable		 3sg9B-5gz4A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j3p TYROSYL-DNA
PHOSPHODIESTERASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 262
SER A 229
HIS A 226
ASP A 316
 None
 1.11A 3sg9B-5j3pA:
undetectable		 3sg9B-5j3pA:
22.22
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		4 ASN A 488
ASP A 550
SER A 534
HIS A 507
 None
 0.95A 3sg9B-5j8jA:
undetectable		 3sg9B-5j8jA:
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASN A 853
SER A 948
HIS A 943
GLU A1025
 None
 1.13A 3sg9B-5jm0A:
3.4		 3sg9B-5jm0A:
15.10
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ASP A 375
SER A  61
HIS A  59
ASP A 201
 None
 1.01A 3sg9B-5jouA:
undetectable		 3sg9B-5jouA:
14.21
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 ASN A 465
ASP A 459
GLU A  80
GLU A  83
 None
 1.04A 3sg9B-5kodA:
undetectable		 3sg9B-5kodA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n56 SUPEROXIDE DISMUTASE
[MN/FE] 1

(Staphylococcus
aureus) 		no annotation 4 ASN A  40
SER A  82
HIS A  32
GLU A  54
 None
 1.10A 3sg9B-5n56A:
undetectable		 3sg9B-5n56A:
13.82
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		4 ASP F 158
SER F 299
GLU F 390
GLU F  39
 MN  F 503 ( 4.1A)
MN  F 503 ( 4.9A)
PO4  F 501 (-4.1A)
None
 0.99A 3sg9B-5u7xF:
undetectable		 3sg9B-5u7xF:
21.68
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.
5w7a ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT

(Oryctolagus
cuniculus) 		no annotation 4 HIS B 530
ASP B 296
GLU B 272
TRP B 273
 FTT  B 609 (-3.8A)
None
None
None
 0.89A 3sg9B-5w7aB:
undetectable		 3sg9B-5w7aB:
15.24
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.
5w7c ACYLOXYACYL
HYDROLASE

(Homo sapiens) 		no annotation 4 HIS C 530
ASP C 297
GLU C 273
TRP C 274
 DAO  C 609 ( 3.3A)
None
None
FTT  C 611 (-4.9A)
 0.93A 3sg9B-5w7cC:
undetectable		 3sg9B-5w7cC:
10.47
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.
5xd0 GLUCANASE

(Paenibacillus
sp. X4) 		PF01270
(Glyco_hydro_8) 		5 ASN A 132
ASP A 158
SER A  94
ASP A 195
GLU A 285
 None
None
PGE  A 501 ( 4.9A)
None
PGE  A 501 ( 4.4A)
 1.36A 3sg9B-5xd0A:
undetectable		 3sg9B-5xd0A:
20.52
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 ASP A 325
HIS A 329
ASP A 167
GLU A 172
 ZN  A 901 ( 2.1A)
ZN  A 901 ( 3.3A)
ZN  A 902 (-2.0A)
None
 1.08A 3sg9B-6c01A:
undetectable		 3sg9B-6c01A:
11.55
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.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 4 SER A 219
ASP A 258
GLU A 186
GLU A 143
 None
 0.96A 3sg9B-6c9dA:
8.1		 3sg9B-6c9dA:
16.67
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 445
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 0.83A 3sg9B-6ceyA:
30.8		 3sg9B-6ceyA:
14.38
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 4 ASP B 305
SER B 478
ASP B 446
GLU B 311
 None
 1.10A 3sg9B-6evjB:
0.7		 3sg9B-6evjB:
12.79
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.
6gdt -

(-) 		no annotation 5 ASN A 433
SER A 362
HIS A 360
GLU A 546
TRP A 542
 None
 1.50A 3sg9B-6gdtA:
undetectable		 3sg9B-6gdtA:
undetectable