SIMILAR PATTERNS OF AMINO ACIDS FOR 3JB3_A_SAMA1102_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.
1air PECTATE LYASE C

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 GLY A 121
ALA A  67
PHE A 103
ALA A 168
PRO A 124
 None
 1.08A 3jb3A-1airA:
0.0		 3jb3A-1airA:
16.84
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		5 GLY A  38
ALA A 337
PRO A  43
ALA A  44
ALA A 342
 None
None
None
None
NAP  A   2 (-4.0A)
 1.08A 3jb3A-1bl5A:
2.1		 3jb3A-1bl5A:
17.44
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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 ILE A  63
ALA A  48
ALA A  70
VAL A  71
ASN A  73
 None
 1.07A 3jb3A-1drkA:
0.0		 3jb3A-1drkA:
13.77
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.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		5 GLY A 318
ALA A 228
ALA A   2
ALA A 206
VAL A 207
 None
 1.06A 3jb3A-1ezwA:
0.0		 3jb3A-1ezwA:
15.66
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 ILE A 156
GLY A 155
ALA A 167
VAL A 173
ASN A 149
 None
 1.01A 3jb3A-1iy8A:
0.0		 3jb3A-1iy8A:
14.49
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 ILE A 315
GLY A 314
ALA A 303
VAL A 304
ASN A 305
 None
 0.91A 3jb3A-1jkmA:
1.8		 3jb3A-1jkmA:
15.36
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.
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 A1253
GLY A1087
ALA A1019
ALA A1050
VAL A1049
 None
 0.79A 3jb3A-1n5xA:
0.0		 3jb3A-1n5xA:
21.47
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.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 161
GLY A 160
PRO A 156
ALA A 191
VAL A 190
 None
 0.73A 3jb3A-1pl8A:
0.0		 3jb3A-1pl8A:
16.36
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		5 LYS A 270
GLY A 251
ALA A  23
ALA A 256
ASN A 258
 None
 1.01A 3jb3A-1sbpA:
0.0		 3jb3A-1sbpA:
14.78
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.
1wm6 PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAI

(Thermus
thermophilus) 		PF03061
(4HBT) 		5 ALA A  45
ALA A  38
PHE A  71
ALA A  82
VAL A 100
 None
 1.07A 3jb3A-1wm6A:
undetectable		 3jb3A-1wm6A:
9.02
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 TYR A 205
GLY A 152
ALA A 179
ALA A  95
PRO A  83
 None
BGC  A 290 ( 3.7A)
None
BGC  A 290 (-3.4A)
BGC  A 290 (-4.9A)
 1.09A 3jb3A-1woqA:
undetectable		 3jb3A-1woqA:
13.81
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 GLY A 253
ALA A 273
ALA A 230
VAL A 231
ASN A 204
 None
 1.04A 3jb3A-1wytA:
undetectable		 3jb3A-1wytA:
18.46
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 ILE A  24
ALA A 199
ALA A  57
VAL A  58
PRO A 100
 None
 1.10A 3jb3A-1wz8A:
undetectable		 3jb3A-1wz8A:
13.31
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ILE A 599
ALA A 290
PRO A 602
VAL A 613
ASN A 612
 None
 0.97A 3jb3A-1xjeA:
undetectable		 3jb3A-1xjeA:
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 ILE A 128
GLY A  93
ALA A  84
ALA A  41
PRO A  68
 None
 0.80A 3jb3A-1yixA:
undetectable		 3jb3A-1yixA:
13.99
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 ILE A  62
GLY A  10
ALA A 103
VAL A 108
ASN A 110
 None
None
None
None
SUG  A1001 (-3.2A)
 1.07A 3jb3A-1yniA:
undetectable		 3jb3A-1yniA:
18.76
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 ILE A  62
GLY A  10
ALA A 109
VAL A 108
PRO A 105
 None
None
SUG  A1001 (-3.6A)
None
None
 0.87A 3jb3A-1yniA:
undetectable		 3jb3A-1yniA:
18.76
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 313
GLY A 310
ALA A 380
PRO A 435
ALA A 335
 None
 1.01A 3jb3A-1zcjA:
undetectable		 3jb3A-1zcjA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ag5 DEHYDROGENASE/REDUCT
ASE (SDR FAMILY)
MEMBER 6

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  18
GLY A  19
ALA A  82
VAL A  81
ASN A  80
 NAD  A2001 (-3.5A)
None
NAD  A2001 ( 4.5A)
NAD  A2001 (-4.7A)
None
 0.87A 3jb3A-2ag5A:
4.5		 3jb3A-2ag5A:
14.29
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 GLY A  38
ALA A 350
PRO A  43
ALA A  44
ALA A 355
 None
None
None
None
NAD  A2001 (-3.6A)
 0.96A 3jb3A-2d4vA:
undetectable		 3jb3A-2d4vA:
17.93
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 ILE A 952
GLY A 535
ALA A 540
PHE A 972
ALA A 946
 None
 0.85A 3jb3A-2eyqA:
undetectable		 3jb3A-2eyqA:
22.08
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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ILE A 169
GLY A 170
VAL A   5
ASN A   4
PRO A 174
 None
 1.01A 3jb3A-2fa0A:
undetectable		 3jb3A-2fa0A:
18.16
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.
2hq6 SEROLOGICALLY
DEFINED COLON CANCER
ANTIGEN 10

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 ILE A  26
GLY A 131
ALA A  33
ALA A 100
VAL A  99
 None
 0.93A 3jb3A-2hq6A:
undetectable		 3jb3A-2hq6A:
10.78
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.
2if2 DEPHOSPHO-COA KINASE

(Aquifex
aeolicus) 		PF01121
(CoaE) 		5 TYR A  92
ILE A 109
GLY A   5
ALA A 168
ALA A 112
 None
 1.02A 3jb3A-2if2A:
undetectable		 3jb3A-2if2A:
10.96
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LYS A 558
ILE A 767
GLY A 271
ALA A 276
VAL A 275
 None
 1.08A 3jb3A-2iujA:
undetectable		 3jb3A-2iujA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 ALA A 115
ALA A 104
ALA A 182
VAL A 152
PRO A 150
 None
 1.10A 3jb3A-2r9hA:
undetectable		 3jb3A-2r9hA:
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.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  46
PRO A  48
ALA A  49
ALA A 291
PRO A 113
 None
 1.08A 3jb3A-2r9lA:
undetectable		 3jb3A-2r9lA:
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.
2uvk YJHT

(Escherichia
coli) 		PF01344
(Kelch_1) 		5 ILE A 250
GLY A 249
ALA A 258
PRO A 314
VAL A 197
 None
 0.98A 3jb3A-2uvkA:
undetectable		 3jb3A-2uvkA:
15.46
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.
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU

(Homo sapiens) 		PF00041
(fn3)
PF00047
(ig)
PF00629
(MAM) 		5 ALA A 254
ALA A 182
VAL A 227
ASN A 226
PRO A 209
 None
 1.08A 3jb3A-2v5yA:
undetectable		 3jb3A-2v5yA:
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ILE A  99
GLY A 389
ALA A 112
ALA A 206
VAL A 211
 None
 0.92A 3jb3A-2vdaA:
undetectable		 3jb3A-2vdaA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ILE A  89
ALA A  63
ALA A  42
VAL A  43
ASN A  44
 None
 1.08A 3jb3A-2vxyA:
undetectable		 3jb3A-2vxyA:
16.89
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.
2w2k D-MANDELATE
DEHYDROGENASE

(Rhodotorula
graminis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY B  88
ALA B 112
ALA B  85
VAL B  60
ASN B  62
 None
 0.94A 3jb3A-2w2kB:
undetectable		 3jb3A-2w2kB:
16.89
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 722
GLY B 537
ALA B 469
ALA B 500
VAL B 499
 None
 0.81A 3jb3A-2w55B:
undetectable		 3jb3A-2w55B:
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.
2w5e PUTATIVE SERINE
PROTEASE

(Mamastrovirus 1) 		PF13365
(Trypsin_2) 		5 ILE A 440
GLY A 447
ALA A 520
ALA A 459
VAL A 462
 None
 1.06A 3jb3A-2w5eA:
undetectable		 3jb3A-2w5eA:
9.32
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ILE A  27
GLY A  24
ALA A  51
PHE A  31
ALA A  93
 None
None
None
None
NAD  A 500 (-3.6A)
 1.01A 3jb3A-2wsbA:
4.0		 3jb3A-2wsbA:
13.38
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ILE A  88
ALA A 228
PRO A 235
ALA A 236
ALA A  30
 None
 1.10A 3jb3A-2wsbA:
4.0		 3jb3A-2wsbA:
13.38
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.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 193
ALA A 187
ALA A 214
VAL A 215
ASN A 216
 None
 1.08A 3jb3A-2zviA:
undetectable		 3jb3A-2zviA:
16.83
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		5 ILE A  99
GLY A 389
ALA A 112
ALA A 206
VAL A 211
 None
 1.01A 3jb3A-3bxzA:
undetectable		 3jb3A-3bxzA:
17.59
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.
3cos ALCOHOL
DEHYDROGENASE 4

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 374
GLY A 207
ALA A 213
ALA A 275
ALA A 238
 None
NAD  A 400 (-3.4A)
None
NAD  A 400 (-3.4A)
None
 1.02A 3jb3A-3cosA:
2.9		 3jb3A-3cosA:
16.83
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.
3doh ESTERASE

(Thermotoga
maritima) 		PF02230
(Abhydrolase_2) 		5 GLY A 214
ALA A 233
ALA A 219
VAL A 217
PRO A  32
 None
 1.06A 3jb3A-3dohA:
undetectable		 3jb3A-3dohA:
16.50
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.
3dtt NADP OXIDOREDUCTASE

(Arthrobacter
sp. FB24) 		PF03807
(F420_oxidored) 		5 GLY A  29
ALA A  87
PRO A  33
ALA A  69
VAL A  68
 None
NAP  A 300 ( 3.8A)
None
None
None
 0.97A 3jb3A-3dttA:
undetectable		 3jb3A-3dttA:
13.13
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 303
ALA A 326
ALA A 323
ALA A 250
VAL A 249
 None
1PE  A 994 ( 3.7A)
None
None
EPE  A 996 (-3.6A)
 1.05A 3jb3A-3etcA:
undetectable		 3jb3A-3etcA:
19.19
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.
3fch CARBOXYSOME SHELL
PROTEIN CSOS1D

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 ILE A 253
ALA A 207
PRO A 199
ALA A 200
VAL A  60
 None
 1.00A 3jb3A-3fchA:
2.3		 3jb3A-3fchA:
15.42
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.
3hrp UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		5 ILE A 157
GLY A 156
ALA A 244
ALA A 419
ASN A 347
 None
 0.83A 3jb3A-3hrpA:
undetectable		 3jb3A-3hrpA:
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ILE A 596
GLY A 599
ALA A 607
ALA A 579
VAL A 580
 None
 1.05A 3jb3A-3lk6A:
undetectable		 3jb3A-3lk6A:
20.43
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.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		5 GLY A 132
ALA A 170
ALA A 136
ALA A 239
VAL A 240
 None
 1.09A 3jb3A-3majA:
undetectable		 3jb3A-3majA:
17.97
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ILE A 296
GLY A 353
ALA A 375
ALA A 531
VAL A 532
 None
 1.08A 3jb3A-3nvaA:
undetectable		 3jb3A-3nvaA:
19.91
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 320
GLY A 319
ALA A 359
VAL A 355
ASN A 379
 None
 1.10A 3jb3A-3nzgA:
undetectable		 3jb3A-3nzgA:
16.68
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.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 5 ILE B 195
PRO B 198
ALA B 199
VAL B 236
ASN B 238
 None
None
None
FAD  B 405 (-3.6A)
None
 1.00A 3jb3A-3ozvB:
3.6		 3jb3A-3ozvB:
15.82
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE C1253
GLY C1087
ALA C1019
ALA C1050
VAL C1049
 None
 0.69A 3jb3A-3sr6C:
undetectable		 3jb3A-3sr6C:
21.65
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A  94
GLY A   6
ALA A  21
ALA A  89
VAL A  91
 None
 1.01A 3jb3A-3sthA:
undetectable		 3jb3A-3sthA:
15.62
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.
3tal DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
NURA

(Pyrococcus
furiosus) 		PF09376
(NurA) 		5 ILE A  29
ALA A 316
ALA A 305
VAL A  23
ASN A  22
 None
 1.10A 3jb3A-3talA:
undetectable		 3jb3A-3talA:
18.22
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B  83
PRO B  43
ALA B  42
ALA B  36
VAL B  35
 None
 1.09A 3jb3A-3v0aB:
undetectable		 3jb3A-3v0aB:
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE A  83
PRO A  43
ALA A  42
ALA A  36
VAL A  35
 None
 1.02A 3jb3A-3vuoA:
undetectable		 3jb3A-3vuoA:
21.66
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.
3zyv AOX3

(Mus musculus) 		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 A1258
GLY A1092
ALA A1024
ALA A1055
VAL A1054
 None
 0.82A 3jb3A-3zyvA:
undetectable		 3jb3A-3zyvA:
22.11
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ILE A 725
GLY A 722
ALA A 693
ALA A 445
VAL A 448
 None
 0.97A 3jb3A-4a01A:
undetectable		 3jb3A-4a01A:
21.67
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 ILE A 327
GLY A 326
ALA A 347
VAL A 348
ASN A 349
 None
 1.10A 3jb3A-4aahA:
undetectable		 3jb3A-4aahA:
19.59
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ILE A  26
GLY A  23
PRO A  50
ALA A  49
ALA A  85
 None
 0.99A 3jb3A-4avyA:
4.4		 3jb3A-4avyA:
13.13
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.
4b8j IMPORTIN SUBUNIT
ALPHA-1A

(Oryza sativa) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 ILE A 155
ALA A 201
ALA A 186
VAL A 185
ASN A 184
 None
 1.06A 3jb3A-4b8jA:
undetectable		 3jb3A-4b8jA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b98 BETA-ALANINE--PYRUVA
TE TRANSAMINASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 ALA A 104
ALA A 274
ALA A 299
VAL A 286
ASN A 285
 None
 1.04A 3jb3A-4b98A:
undetectable		 3jb3A-4b98A:
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.
4bjp PENICILLIN BINDING
PROTEIN
TRANSPEPTIDASE
DOMAIN PROTEIN

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 ILE A 532
GLY A 260
ALA A 276
ALA A 253
VAL A 252
ASN A 250
 None
GOL  A 623 (-3.2A)
None
None
None
None
 1.39A 3jb3A-4bjpA:
undetectable		 3jb3A-4bjpA:
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 GLY A 270
ALA A 276
ALA A 242
ALA A 301
ASN A 265
 None
 1.08A 3jb3A-4bocA:
undetectable		 3jb3A-4bocA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpl IMPORTIN SUBUNIT
ALPHA-1A

(Oryza sativa) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 ILE A 155
ALA A 201
ALA A 186
VAL A 185
ASN A 184
 None
 1.06A 3jb3A-4bplA:
undetectable		 3jb3A-4bplA:
19.70
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.
4dav SUGAR FERMENTATION
STIMULATION PROTEIN
HOMOLOG

(Pyrococcus
furiosus) 		PF03749
(SfsA) 		5 ILE A  78
PHE A  69
ALA A 134
VAL A 135
PRO A 178
 None
 1.03A 3jb3A-4davA:
undetectable		 3jb3A-4davA:
12.25
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.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 ILE A 240
GLY A 238
ALA A 277
ALA A 234
PRO A 280
 None
 1.10A 3jb3A-4db3A:
undetectable		 3jb3A-4db3A:
15.27
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.
4eyc CATHELICIDIN
ANTIMICROBIAL
PEPTIDE

(Homo sapiens) 		PF00666
(Cathelicidins) 		5 ILE A 123
GLY A 110
PHE A 121
VAL A  77
PRO A  74
 None
 1.06A 3jb3A-4eycA:
undetectable		 3jb3A-4eycA:
7.43
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 197
ALA A  88
ALA A 152
ALA A 353
PRO A 168
 None
 1.07A 3jb3A-4f32A:
undetectable		 3jb3A-4f32A:
18.34
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.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 ILE A 220
GLY A 221
PHE A 314
ALA A 133
VAL A 134
 None
 0.95A 3jb3A-4f9uA:
undetectable		 3jb3A-4f9uA:
14.39
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ILE A 183
GLY A 179
ALA A 256
ALA A 136
ALA A 202
 None
None
NAD  A 500 ( 3.7A)
None
None
 1.03A 3jb3A-4j16A:
undetectable		 3jb3A-4j16A:
14.98
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ILE D 171
GLY D 189
ALA D  81
ALA D 144
ALA D 346
 None
 1.07A 3jb3A-4jrmD:
undetectable		 3jb3A-4jrmD:
16.68
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 TYR A 135
ILE A 173
GLY A 172
ALA A 212
VAL A 165
 None
 1.01A 3jb3A-4phbA:
undetectable		 3jb3A-4phbA:
14.22
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		6 ILE A  66
GLY A  63
ALA A  90
PHE A  55
ALA A  58
VAL A  57
 None
None
None
None
LLP  A  34 ( 3.9A)
LLP  A  34 ( 4.8A)
 1.34A 3jb3A-4qhrA:
undetectable		 3jb3A-4qhrA:
15.89
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.
4r3e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CWC27 HOMOLOG

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 ILE A  26
GLY A 131
ALA A  33
ALA A 100
VAL A  99
 None
 0.95A 3jb3A-4r3eA:
undetectable		 3jb3A-4r3eA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rn3 HAD SUPERFAMILY
HYDROLASE

(Geobacter
sulfurreducens) 		PF13419
(HAD_2) 		5 ILE A 207
ALA A   9
ALA A 198
ALA A  12
VAL A  13
 None
 0.99A 3jb3A-4rn3A:
undetectable		 3jb3A-4rn3A:
11.78
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.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		6 ILE A 113
GLY A 114
PRO A 136
ALA A 137
PHE A 156
VAL A 179
 SAH  A 502 (-4.7A)
SAH  A 502 (-3.5A)
SAH  A 502 (-4.0A)
SAH  A 502 ( 3.8A)
None
SAH  A 502 (-4.2A)
 0.55A 3jb3A-4rvhA:
8.1		 3jb3A-4rvhA:
16.82
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 ILE A 241
GLY A 232
ALA A 213
ALA A  41
ALA A 102
 None
LLP  A 234 ( 4.3A)
None
LLP  A 234 ( 3.5A)
LLP  A 234 ( 3.8A)
 1.03A 3jb3A-4w91A:
undetectable		 3jb3A-4w91A:
17.07
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE

(Mycoplasma
pneumoniae) 		PF01266
(DAO) 		5 ILE A   8
GLY A  15
ALA A  39
ALA A 354
ALA A 161
 None
 1.10A 3jb3A-4x9nA:
undetectable		 3jb3A-4x9nA:
16.46
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.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 ILE A 176
GLY A 177
ALA A 136
ALA A 155
VAL A 154
 None
 1.07A 3jb3A-4xz3A:
undetectable		 3jb3A-4xz3A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y1g UNCHARACTERIZED
PROTEIN SAV1875

(Staphylococcus
aureus) 		PF01965
(DJ-1_PfpI) 		5 TYR A  65
GLY A  36
ALA A  60
VAL A  53
ASN A  40
 None
 1.00A 3jb3A-4y1gA:
undetectable		 3jb3A-4y1gA:
10.54
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.
4yqz PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A 206
ALA A  22
ALA A 214
ALA A  75
ASN A 124
 None
 1.08A 3jb3A-4yqzA:
5.3		 3jb3A-4yqzA:
13.01
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.
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 A1253
GLY A1087
ALA A1019
ALA A1050
VAL A1049
 None
 0.76A 3jb3A-4yswA:
undetectable		 3jb3A-4yswA:
21.70
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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		5 ILE A 244
ALA A 281
ALA A 228
VAL A 227
PRO A 225
 None
 0.85A 3jb3A-5a8qA:
undetectable		 3jb3A-5a8qA:
16.27
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.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 ILE A 133
GLY A 131
ALA A 103
ALA A  97
VAL A 126
 None
 1.10A 3jb3A-5cvcA:
undetectable		 3jb3A-5cvcA:
16.82
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.
5fsz MACRODOMAIN

(Trypanosoma
cruzi) 		PF01661
(Macro) 		5 TYR A 249
ILE A 197
GLY A 198
VAL A 111
ASN A 112
 None
 1.09A 3jb3A-5fszA:
undetectable		 3jb3A-5fszA:
13.46
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.
5hzg STRIGOLACTONE
ESTERASE D14
F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Arabidopsis
thaliana;
Oryza sativa) 		PF12697
(Abhydrolase_6)
no annotation 		5 GLY A 246
ALA A 253
ALA B 600
PHE A 175
ALA A 216
 None
None
None
6OM  A 301 ( 4.9A)
None
 1.01A 3jb3A-5hzgA:
undetectable		 3jb3A-5hzgA:
13.49
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 227
ALA A 188
ALA A  14
VAL A  13
ASN A  12
 None
 1.00A 3jb3A-5ie2A:
undetectable		 3jb3A-5ie2A:
18.40
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 ILE A  17
GLY A  18
ALA A  91
VAL A  90
ASN A  89
 NAD  A 302 (-3.8A)
None
NAD  A 302 (-3.9A)
None
None
 0.73A 3jb3A-5ilgA:
4.6		 3jb3A-5ilgA:
13.18
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		5 ILE A  99
GLY A 389
ALA A 112
ALA A 206
VAL A 211
 None
 0.98A 3jb3A-5k9tA:
undetectable		 3jb3A-5k9tA:
19.48
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 140
ALA A 564
ALA A 501
ASN A 560
PRO A 562
 None
 1.06A 3jb3A-5mzsA:
undetectable		 3jb3A-5mzsA:
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 5 ILE A 294
GLY A 255
ALA A 272
ALA A 231
VAL A 230
 None
 1.09A 3jb3A-5oi9A:
undetectable		 3jb3A-5oi9A:
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.
5oqp CONDENSIN COMPLEX
SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 TYR A 434
ILE A 465
GLY A 464
ALA A 429
ASN A 449
 None
 1.01A 3jb3A-5oqpA:
2.5		 3jb3A-5oqpA:
22.85
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.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		5 ILE A  32
GLY A  33
PHE A 229
ALA A 104
ASN A 102
 NAP  A 301 (-3.7A)
None
None
NAP  A 301 (-3.3A)
None
 0.85A 3jb3A-5tgdA:
5.2		 3jb3A-5tgdA:
13.29
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 114
GLY A  80
ALA A 185
ALA A 106
ALA A  86
 None
 1.05A 3jb3A-5u2aA:
undetectable		 3jb3A-5u2aA:
18.85
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 245
GLY A 246
ALA A 456
ALA A 162
ALA A 249
 None
None
FAD  A 503 (-2.7A)
FAD  A 503 (-4.8A)
None
 0.98A 3jb3A-5vj7A:
undetectable		 3jb3A-5vj7A:
19.04
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 5 ILE A 126
GLY A 127
ALA A 134
ALA A 182
VAL A 181
 None
 1.06A 3jb3A-5xnzA:
undetectable		 3jb3A-5xnzA:
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 GLY A 135
ALA A  62
PRO A 157
ALA A 156
PRO A 154
 None
 0.91A 3jb3A-6aneA:
undetectable		 3jb3A-6aneA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 ILE H 285
GLY H 325
ALA H 339
ALA H 330
VAL H 329
 None
 1.10A 3jb3A-6cfwH:
undetectable		 3jb3A-6cfwH:
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.
6ejf -

(-) 		no annotation 5 ILE G 471
ALA G 440
PRO G 405
ALA G 404
PRO G 400
 None
 1.07A 3jb3A-6ejfG:
undetectable		 3jb3A-6ejfG:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 ILE A 174
GLY A 176
ALA A  17
ALA A 185
VAL A 184
 None
None
FAD  A 601 (-4.0A)
None
None
 1.10A 3jb3A-6em0A:
2.0		 3jb3A-6em0A:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ALA F 223
PRO F 219
ALA F 211
ALA F 128
ASN F  83
 FMN  F 501 ( 4.7A)
None
None
None
None
 1.01A 3jb3A-6g2jF:
undetectable		 3jb3A-6g2jF:
undetectable