SIMILAR PATTERNS OF AMINO ACIDS FOR 3JB2_A_SAMA1101_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.
1anu COHESIN-2

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 SER A  63
PRO A  58
VAL A  25
ILE A  30
ASN A  32
 None
 1.27A 3jb2A-1anuA:
0.0		 3jb2A-1anuA:
7.46
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.
1dzt DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Salmonella
enterica) 		PF00908
(dTDP_sugar_isom) 		5 ASN A  57
GLY A 121
VAL A  87
ILE A 156
ASN A 150
 None
 1.44A 3jb2A-1dztA:
0.0		 3jb2A-1dztA:
9.62
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLU A 361
PRO A 360
GLY A 313
ARG A 165
ASN A 261
 None
None
NAP  A1581 (-3.3A)
OXL  A1583 ( 2.8A)
None
 1.43A 3jb2A-1gq2A:
0.0		 3jb2A-1gq2A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E SMALL SUBUNIT

(Galdieria
partita) 		PF00101
(RuBisCO_small) 		5 SER B 144
GLU B 123
PRO B 124
ASN B  64
GLU B  43
 None
 1.41A 3jb2A-1iwaB:
0.0		 3jb2A-1iwaB:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 PRO A 402
GLY A 366
ARG A 360
VAL A 359
GLU A 369
 None
 1.43A 3jb2A-1mlzA:
0.0		 3jb2A-1mlzA:
17.62
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.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00307
(CH) 		5 ASN A 190
PRO A 191
GLY A 163
ILE A 183
GLU A 180
 None
 1.40A 3jb2A-1pxyA:
0.0		 3jb2A-1pxyA:
18.12
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 SER A 257
MET A 254
GLY A 191
VAL A 193
ILE A 221
 None
 1.34A 3jb2A-1r30A:
0.0		 3jb2A-1r30A:
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.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLU A 236
PRO A 231
GLY A 121
ILE A 117
GLU A 114
 None
 1.48A 3jb2A-1u0uA:
0.0		 3jb2A-1u0uA:
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.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 MET A 140
PRO A 144
GLY A  86
VAL A  62
ASN A 116
 None
 1.05A 3jb2A-1yqqA:
0.0		 3jb2A-1yqqA:
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 GLU A 290
PRO A 299
VAL A  38
ASN A  73
GLU A  40
 None
 1.41A 3jb2A-2dpyA:
3.0		 3jb2A-2dpyA:
18.12
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.
2f6x (S)-3-O-GERANYLGERAN
YLGLYCERYL PHOSPHATE
SYNTHASE

(Archaeoglobus
fulgidus) 		PF01884
(PcrB) 		5 SER A1037
MET A1035
PRO A1081
GLY A1193
ASN A1216
 None
None
MPD  A4001 (-3.7A)
1GP  A3001 (-3.0A)
1GP  A3001 (-3.9A)
 1.49A 3jb2A-2f6xA:
undetectable		 3jb2A-2f6xA:
13.03
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.
2fy6 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA/MSRB

(Neisseria
meningitidis) 		PF08534
(Redoxin) 		5 SER A  72
PRO A  68
GLY A 157
VAL A 155
ILE A 159
 None
 1.40A 3jb2A-2fy6A:
undetectable		 3jb2A-2fy6A:
10.03
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.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caldanaerobacter
subterraneus) 		PF13407
(Peripla_BP_4) 		5 GLY A   5
VAL A  50
ILE A  63
ASN A  64
GLU A  46
 None
 1.40A 3jb2A-2ioyA:
undetectable		 3jb2A-2ioyA:
14.48
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.
2nqo GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		5 ASN A 298
GLY A 269
VAL A 267
ILE A 344
ASN A 345
 None
 1.27A 3jb2A-2nqoA:
undetectable		 3jb2A-2nqoA:
17.19
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.
2nqo GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		5 GLU A 297
GLY A 269
VAL A 267
ILE A 344
ASN A 345
 None
 1.22A 3jb2A-2nqoA:
undetectable		 3jb2A-2nqoA:
17.19
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 GLU A 807
GLY A 575
VAL A1043
ILE A1039
ASN A1035
 None
 1.10A 3jb2A-2po4A:
undetectable		 3jb2A-2po4A:
23.62
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.
2qc5 STREPTOGRAMIN B
LACTONASE

(Staphylococcus
cohnii) 		no annotation 5 ASN A 138
SER A 141
GLU A 175
PRO A 137
GLU A 217
 ASN  A 138 ( 0.6A)
SER  A 141 ( 0.0A)
GLU  A 175 ( 0.6A)
PRO  A 137 ( 1.1A)
GLU  A 217 ( 0.6A)
 1.46A 3jb2A-2qc5A:
undetectable		 3jb2A-2qc5A:
14.86
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.
2qg7 ETHANOLAMINE KINASE
PV091845

(Plasmodium
vivax) 		PF01633
(Choline_kinase) 		5 SER A 158
GLY A 177
ARG A 139
VAL A  94
ILE A 179
 None
None
SO4  A 600 (-4.4A)
None
None
 1.37A 3jb2A-2qg7A:
undetectable		 3jb2A-2qg7A:
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ASN M 599
GLU M 537
PRO M 602
GLY M 531
ILE M 526
 None
 1.29A 3jb2A-2w4gM:
undetectable		 3jb2A-2w4gM:
21.07
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ASN M 599
SER M 650
PRO M 602
GLY M 531
ILE M 526
 None
 1.48A 3jb2A-2w4gM:
undetectable		 3jb2A-2w4gM:
21.07
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.
2wrd HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 286
VAL A 297
ILE A 288
ASN A 289
GLU A  38
 None
 1.21A 3jb2A-2wrdA:
undetectable		 3jb2A-2wrdA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 GLU A  77
PRO A  78
GLY A  93
ARG A  89
ARG A  90
 None
None
PEG  A1624 ( 4.9A)
None
None
 1.49A 3jb2A-2xydA:
undetectable		 3jb2A-2xydA:
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.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		5 GLY A 117
ARG A  47
VAL A  43
ILE A 128
ASN A 127
 None
 1.28A 3jb2A-2zwiA:
2.8		 3jb2A-2zwiA:
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.
3f3s LAMBDA-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ASN A 148
PRO A 149
ARG A  19
VAL A  32
ILE A  11
 NAD  A 601 (-3.8A)
None
None
None
None
 1.47A 3jb2A-3f3sA:
3.9		 3jb2A-3f3sA:
15.88
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.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00342
(PGI) 		5 ASN A 357
GLU A 269
VAL A 391
ILE A 380
ASN A 379
 None
 1.27A 3jb2A-3ff1A:
undetectable		 3jb2A-3ff1A:
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 MET A 190
GLY A 206
ARG A 135
ILE A 127
ASN A 128
 None
 1.45A 3jb2A-3fk5A:
undetectable		 3jb2A-3fk5A:
15.50
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.
3gd8 AQUAPORIN-4

(Homo sapiens) 		PF00230
(MIP) 		5 SER A 217
GLU A 163
PRO A 237
GLY A 200
ILE A 205
 None
None
None
None
GOL  A   6 ( 4.5A)
 1.45A 3jb2A-3gd8A:
undetectable		 3jb2A-3gd8A:
11.36
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.
3mkw PROTEIN SOPB

(Escherichia
coli) 		no annotation 5 ASN B 173
GLY B 164
ARG B 166
ARG B 163
ILE B 193
 None
 1.06A 3jb2A-3mkwB:
undetectable		 3jb2A-3mkwB:
8.04
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 GLU A  63
PRO A  64
GLY A  46
ARG A  23
GLU A   8
 SAH  A 300 (-2.6A)
SAH  A 300 (-4.4A)
SAH  A 300 (-4.6A)
None
None
 1.26A 3jb2A-3njrA:
5.3		 3jb2A-3njrA:
11.41
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 GLU A  63
PRO A  64
GLY A  46
ILE A  17
GLU A   8
 SAH  A 300 (-2.6A)
SAH  A 300 (-4.4A)
SAH  A 300 (-4.6A)
SAH  A 300 (-4.8A)
None
 1.29A 3jb2A-3njrA:
5.3		 3jb2A-3njrA:
11.41
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.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT

(Bacillus cereus) 		PF02378
(PTS_EIIC) 		5 SER A 107
GLY A  28
ARG A  91
ARG A  26
ILE A  25
 None
None
ZDM  A 600 (-4.0A)
None
None
 1.36A 3jb2A-3qnqA:
undetectable		 3jb2A-3qnqA:
18.39
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.
3tbj ACTIBIND

(Aspergillus
niger) 		PF00445
(Ribonuclease_T2) 		5 GLU A 158
PRO A 147
GLY A 160
ILE A  98
ASN A  97
 None
None
None
None
NAG  A 301 (-1.8A)
 1.28A 3jb2A-3tbjA:
undetectable		 3jb2A-3tbjA:
12.88
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.
3tc2 KUNITZ-TYPE
PROTEINASE INHIBITOR
P1H5

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		5 SER A  94
GLY A  39
ARG A 170
VAL A  52
GLU A 118
 None
 1.50A 3jb2A-3tc2A:
undetectable		 3jb2A-3tc2A:
10.00
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.
3tih HIV-1 CLADE C
ZM109F.PB4 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ASN A 262
SER A 447
PRO A 212
GLY A 380
ILE A 443
 None
 1.47A 3jb2A-3tihA:
undetectable		 3jb2A-3tihA:
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.
3tri PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Coxiella
burnetii) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 PRO A 178
GLY A 133
VAL A 161
ILE A 167
GLU A 164
 None
 1.41A 3jb2A-3triA:
undetectable		 3jb2A-3triA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 ASN A 765
PRO A 710
GLY A 651
ARG A 762
VAL A 736
 None
 1.49A 3jb2A-3tswA:
undetectable		 3jb2A-3tswA:
15.50
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.
3ttk POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 PRO A 142
GLY A 174
VAL A 218
ILE A 167
ASN A 166
 None
 1.41A 3jb2A-3ttkA:
undetectable		 3jb2A-3ttkA:
15.53
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		5 ASN A 182
SER A 186
GLY A 272
ILE A 107
GLU A 304
 None
 1.06A 3jb2A-3us8A:
2.1		 3jb2A-3us8A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v2h D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 SER A 115
GLY A  15
VAL A 229
ILE A 138
ASN A 137
 None
 1.19A 3jb2A-3v2hA:
3.5		 3jb2A-3v2hA:
14.14
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ASN A 265
SER A 267
GLU A 410
GLY A 414
VAL A 532
 SO4  A 704 ( 4.2A)
None
None
None
None
 1.12A 3jb2A-3vueA:
2.2		 3jb2A-3vueA:
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.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 ASN A 161
SER A 157
GLY A  63
VAL A 117
ILE A 151
 None
 1.26A 3jb2A-4ab4A:
undetectable		 3jb2A-4ab4A:
17.05
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.
4apf CULLIN 3

(Homo sapiens) 		PF00888
(Cullin) 		5 GLU B 265
ARG B 240
VAL B 248
ILE B 245
ASN B 242
 None
 1.47A 3jb2A-4apfB:
2.6		 3jb2A-4apfB:
18.03
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.
4bbm CYCLIN-DEPENDENT
KINASE-LIKE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A 194
PRO A 200
VAL A 140
ILE A 132
ASN A 131
 EDO  A 502 ( 4.6A)
None
None
None
None
 1.49A 3jb2A-4bbmA:
undetectable		 3jb2A-4bbmA:
14.31
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.
4gga CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLU A 249
GLY A 244
ARG A 270
VAL A 232
ILE A 229
 None
 1.22A 3jb2A-4ggaA:
undetectable		 3jb2A-4ggaA:
17.85
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 ASN A  71
SER A  70
PRO A 399
ILE A 404
GLU A 151
 None
None
None
TRS  A 500 (-4.5A)
TRS  A 500 (-3.3A)
 1.41A 3jb2A-4gl3A:
undetectable		 3jb2A-4gl3A:
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASN A 242
GLY A 160
ILE A 155
ASN A 154
GLU A 169
 None
 1.45A 3jb2A-4i3gA:
undetectable		 3jb2A-4i3gA:
21.51
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.
4ibo GLUCONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A 127
ARG A 133
ARG A 128
ILE A  75
GLU A  72
 None
 1.38A 3jb2A-4iboA:
3.8		 3jb2A-4iboA:
13.52
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A 332
GLY A 210
VAL A   7
ILE A 324
GLU A 325
 None
 1.47A 3jb2A-4jatA:
undetectable		 3jb2A-4jatA:
16.24
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.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PRO A 280
GLY A 108
ARG A 163
VAL A 160
ILE A 156
 None
 1.39A 3jb2A-4lswA:
4.9		 3jb2A-4lswA:
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ASN A 199
SER A 289
GLU A 191
VAL A 161
GLU A 162
 PD2  A 401 ( 4.5A)
None
NI  A 402 ( 2.6A)
None
None
 1.37A 3jb2A-4lxlA:
undetectable		 3jb2A-4lxlA:
15.47
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.
4mde METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF13671
(AAA_33) 		5 ASN A 107
GLY A  18
VAL A 125
ILE A 130
GLU A 127
 None
GDP  A1001 (-3.8A)
None
None
None
 1.38A 3jb2A-4mdeA:
2.3		 3jb2A-4mdeA:
11.06
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.
4n14 CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLU A 249
GLY A 244
ARG A 270
VAL A 232
ILE A 229
 None
 1.22A 3jb2A-4n14A:
undetectable		 3jb2A-4n14A:
14.07
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 PRO A 166
GLY A 203
VAL A 236
ILE A 205
GLU A 235
 None
GOL  A 301 (-4.7A)
None
None
None
 1.47A 3jb2A-4nbrA:
3.4		 3jb2A-4nbrA:
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.
4oog RIBONUCLEASE 3

(Saccharomyces
cerevisiae) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3) 		5 PRO C 336
GLY C 324
ARG C 213
VAL C 214
ILE C 205
 None
 1.28A 3jb2A-4oogC:
undetectable		 3jb2A-4oogC:
13.84
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.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens;
Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 GLU A 194
GLY B 235
VAL B   5
ILE B 188
ASN B 187
 None
 1.36A 3jb2A-4pelA:
undetectable		 3jb2A-4pelA:
12.01
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASN A 828
PRO A 646
GLY A 854
ILE A 858
GLU A 559
 DCP  A1201 (-3.1A)
None
None
None
None
 1.44A 3jb2A-4ptfA:
undetectable		 3jb2A-4ptfA:
22.37
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 MET A 398
PRO A 406
GLY A 379
ILE A 291
GLU A 292
 None
 0.98A 3jb2A-4ptfA:
undetectable		 3jb2A-4ptfA:
22.37
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.
4r4n HIV-1 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ASN A 262
SER A 447
GLU A 211
GLY A 380
ILE A 443
 NAG  A 501 (-1.8A)
NAG  A 501 (-2.8A)
NAG  A 501 (-2.7A)
None
None
 1.40A 3jb2A-4r4nA:
undetectable		 3jb2A-4r4nA:
15.69
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 MET A 390
VAL A 318
ILE A 300
ASN A 301
GLU A 314
 None
 1.30A 3jb2A-4r8eA:
undetectable		 3jb2A-4r8eA:
17.12
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		5 ASN A 575
GLU A 551
ARG A 524
VAL A 525
ILE A 559
 None
 1.40A 3jb2A-4uirA:
undetectable		 3jb2A-4uirA:
20.98
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.
4ye4 HT593.1 GP120

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		5 ASN G 262
SER G 447
GLU G 211
GLY G 380
ILE G 443
 NAG  G 502 (-1.8A)
NAG  G 502 (-2.8A)
NAG  G 502 (-3.1A)
None
None
 1.36A 3jb2A-4ye4G:
undetectable		 3jb2A-4ye4G:
15.47
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.
4yhc STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 5 SER A 569
MET A1015
PRO A 589
GLY A1040
ILE A1021
 None
 1.43A 3jb2A-4yhcA:
undetectable		 3jb2A-4yhcA:
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		5 ASN A 689
GLU A 676
PRO A 677
ILE A  70
ASN A  72
 None
 1.26A 3jb2A-4zgvA:
undetectable		 3jb2A-4zgvA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxs VIRION EGRESS
PROTEIN UL34

(Human
alphaherpesvirus
1) 		PF04541
(Herpes_U34) 		5 ASN A  82
PRO A  83
GLY A 127
VAL A 118
ILE A 111
 None
 1.47A 3jb2A-4zxsA:
undetectable		 3jb2A-4zxsA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5g FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 GLU A 309
ARG A 454
VAL A 466
ILE A 453
GLU A 450
 None
 1.20A 3jb2A-5a5gA:
undetectable		 3jb2A-5a5gA:
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A 179
PRO A 239
GLY A 210
ARG A 160
GLU A 214
 None
 1.43A 3jb2A-5a7mA:
undetectable		 3jb2A-5a7mA:
21.61
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.
5dlc PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF03740
(PdxJ) 		5 SER A 142
GLY A 203
VAL A 214
ILE A 220
ASN A 221
 None
 1.14A 3jb2A-5dlcA:
undetectable		 3jb2A-5dlcA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLY A 530
ARG A 351
VAL A 513
ILE A 415
ASN A 414
 None
 1.37A 3jb2A-5e7jA:
undetectable		 3jb2A-5e7jA:
17.89
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASN A 250
GLY A 156
ARG A 522
VAL A 552
ILE A 158
 None
 1.44A 3jb2A-5fjiA:
2.6		 3jb2A-5fjiA:
20.97
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 ASN A 229
GLY A 297
VAL A 321
ASN A 235
GLU A 304
 None
None
None
None
TRS  A 903 (-2.9A)
 1.43A 3jb2A-5hp6A:
undetectable		 3jb2A-5hp6A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ASN A 967
MET A 932
VAL A 818
ILE A 810
ASN A 974
 None
 1.37A 3jb2A-5i6hA:
undetectable		 3jb2A-5i6hA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLU Q 249
GLY Q 244
ARG Q 270
VAL Q 232
ILE Q 229
 None
 1.20A 3jb2A-5lcwQ:
undetectable		 3jb2A-5lcwQ:
17.23
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLU R 249
GLY R 244
ARG R 270
VAL R 232
ILE R 229
 None
 1.21A 3jb2A-5lcwR:
undetectable		 3jb2A-5lcwR:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 MET B 346
PRO B 325
GLY B 391
VAL B 404
ILE B 358
 None
 1.25A 3jb2A-5ldrB:
undetectable		 3jb2A-5ldrB:
21.02
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.
5m3h POLYMERASE ACIDIC
PROTEIN

(Influenza A
virus) 		PF00603
(Flu_PA) 		5 GLY A 626
ARG A 610
VAL A 631
ILE A 628
GLU A 444
 None
 1.47A 3jb2A-5m3hA:
undetectable		 3jb2A-5m3hA:
21.44
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.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 5 GLU A 208
PRO A 214
VAL A 152
ILE A 144
ASN A 143
 None
None
None
None
MG  A 310 (-3.2A)
 1.47A 3jb2A-5u94A:
undetectable		 3jb2A-5u94A:
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 PRO A 402
GLY A 366
ARG A 360
VAL A 359
GLU A 369
 None
 1.45A 3jb2A-5uc7A:
undetectable		 3jb2A-5uc7A:
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.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 5 ASN D 245
MET D 236
GLY D 203
ILE D 190
ASN D 215
 None
 1.26A 3jb2A-5ui3D:
undetectable		 3jb2A-5ui3D:
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 PRO A 230
GLY A 428
ARG A 424
VAL A 385
ILE A 430
 None
 1.47A 3jb2A-5v9xA:
3.3		 3jb2A-5v9xA:
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.
5vvw UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 SER A  93
PRO A  89
GLY A  44
VAL A  42
GLU A  41
 None
 1.17A 3jb2A-5vvwA:
4.3		 3jb2A-5vvwA:
14.19
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.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 5 SER A 329
GLY A 483
ARG A 492
VAL A 481
ILE A 461
 None
 1.31A 3jb2A-5wm4A:
undetectable		 3jb2A-5wm4A:
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.
5wya ISOLEUCINE
2-EPIMERASE

(Lactobacillus
buchneri) 		PF00202
(Aminotran_3) 		5 PRO A 412
GLY A 367
ARG A 361
VAL A 360
ILE A 369
 None
 1.16A 3jb2A-5wyaA:
undetectable		 3jb2A-5wyaA:
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.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 5 SER C 171
MET C 203
VAL C 229
ILE C 165
GLU C 163
 None
 1.42A 3jb2A-6cajC:
undetectable		 3jb2A-6cajC:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 PRO A 371
GLY A 170
ARG A 422
ARG A 169
ILE A 152
 None
None
ACT  A1101 ( 4.3A)
None
None
 1.45A 3jb2A-6etzA:
undetectable		 3jb2A-6etzA:
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 5 SER A  40
PRO A  36
GLY A 114
ARG A 116
VAL A 117
 None
 1.47A 3jb2A-6fi2A:
undetectable		 3jb2A-6fi2A:
undetectable