SIMILAR PATTERNS OF AMINO ACIDS FOR 3IJD_B_C2FB314_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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		5 TYR A  30
LEU A 220
VAL A 245
LEU A 239
ILE A 238
 None
 1.10A 3ijdB-1b74A:
0.0		 3ijdB-1b74A:
23.93
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 TYR A 189
VAL A 206
GLY A 205
ILE A 227
ILE A 343
 None
 1.11A 3ijdB-1dcuA:
undetectable		 3ijdB-1dcuA:
22.62
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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		5 VAL A 104
GLY A 105
LEU A 113
ILE A 241
ILE A 284
 None
 1.07A 3ijdB-1ehyA:
1.2		 3ijdB-1ehyA:
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LEU A 268
VAL A 275
GLY A 282
ILE A 192
LEU A 252
 None
 0.95A 3ijdB-1fp2A:
undetectable		 3ijdB-1fp2A:
21.53
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.
1gyq PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Leishmania
mexicana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 VAL A 309
GLY A 290
LEU A 289
ARG A 342
ILE A 302
 None
 1.16A 3ijdB-1gyqA:
0.0		 3ijdB-1gyqA:
19.35
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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 123
GLY A 243
ILE A  89
ARG A  87
LEU A  53
 None
 1.13A 3ijdB-1hylA:
undetectable		 3ijdB-1hylA:
23.81
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 LEU A 286
VAL A 231
GLY A 232
LEU A  63
ILE A  60
 None
 1.05A 3ijdB-1n31A:
0.1		 3ijdB-1n31A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 VAL A 139
GLY A 140
ILE A 325
ARG A  67
LEU A 264
 None
 1.15A 3ijdB-1r8gA:
0.0		 3ijdB-1r8gA:
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		5 VAL A 117
GLY A 116
ARG A 127
LEU A 103
ILE A  98
 None
 1.15A 3ijdB-1t5jA:
undetectable		 3ijdB-1t5jA:
26.24
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 TYR A 182
LEU A 209
VAL A 152
GLY A 153
ILE A 132
 None
None
None
SO4  A 610 (-3.0A)
None
 1.10A 3ijdB-1vcnA:
undetectable		 3ijdB-1vcnA:
18.31
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.
1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG

(Clostridium
acetobutylicum) 		PF04321
(RmlD_sub_bind) 		5 LEU A  85
VAL A  92
GLY A  93
LEU A   4
ILE A  28
 None
 0.70A 3ijdB-1vl0A:
undetectable		 3ijdB-1vl0A:
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		5 VAL A 243
GLY A 245
ILE A 178
LEU A 215
ILE A 212
 None
 1.00A 3ijdB-1w27A:
undetectable		 3ijdB-1w27A:
17.06
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.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		5 TYR A  54
VAL A 156
GLY A 157
ILE A  76
ILE A  25
 None
 1.14A 3ijdB-1xv2A:
undetectable		 3ijdB-1xv2A:
21.52
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 LEU A 231
CYH A 205
VAL A 192
GLY A 207
LEU A 181
 None
 0.99A 3ijdB-2b4wA:
undetectable		 3ijdB-2b4wA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ex5 DNA ENDONUCLEASE
I-CEUI

(Chlamydomonas
moewusii) 		PF00961
(LAGLIDADG_1) 		5 VAL A  95
GLY A  97
ILE A 113
LEU A  43
ILE A  23
 None
 1.16A 3ijdB-2ex5A:
undetectable		 3ijdB-2ex5A:
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.
2f9z CHEMOTAXIS PROTEIN
CHEC

(Thermotoga
maritima) 		PF04509
(CheC) 		5 LEU A 102
GLY A  93
ILE A  30
LEU A 110
ILE A 113
 None
 1.12A 3ijdB-2f9zA:
undetectable		 3ijdB-2f9zA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjx URIDYLATE KINASE

(Bacillus
anthracis) 		PF00696
(AA_kinase) 		5 LEU A  16
VAL A  89
GLY A  88
ILE A 127
ILE A   9
 None
 1.05A 3ijdB-2jjxA:
undetectable		 3ijdB-2jjxA:
18.65
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.
2k4h HIV-2 MYRISTOYLATED
MATRIX PROTEIN

(Human
immunodeficiency
virus 2) 		PF00540
(Gag_p17) 		5 LEU A  75
LEU A  21
ILE A  85
LEU A  64
ILE A  60
 None
None
MYR  A   1 ( 3.4A)
None
None
 1.11A 3ijdB-2k4hA:
undetectable		 3ijdB-2k4hA:
17.80
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.
2kwv DNA POLYMERASE IOTA

(Mus musculus) 		no annotation 5 LEU A 517
VAL A 500
GLY A 499
GLN A 502
LEU A 491
 None
 1.12A 3ijdB-2kwvA:
undetectable		 3ijdB-2kwvA:
10.04
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.
2omd MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2

(Aquifex
aeolicus) 		PF02391
(MoaE) 		5 LEU A  36
CYH A 115
VAL A 119
LEU A  38
ILE A  40
 None
None
None
NA  A 701 ( 4.9A)
None
 1.15A 3ijdB-2omdA:
undetectable		 3ijdB-2omdA:
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		5 LEU C 228
VAL C 220
GLY C 207
ILE C 332
ILE C 253
 None
 1.02A 3ijdB-2p9nC:
undetectable		 3ijdB-2p9nC:
23.25
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LEU A 273
VAL A 280
GLY A 287
ILE A 197
LEU A 257
 None
 0.98A 3ijdB-2qyoA:
undetectable		 3ijdB-2qyoA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 154
GLY A 220
ARG A 394
LEU A  15
ILE A  17
 LEU  A 154 ( 0.6A)
GLY  A 220 ( 0.0A)
ARG  A 394 ( 0.6A)
LEU  A  15 ( 0.6A)
ILE  A  17 ( 0.7A)
 1.14A 3ijdB-2vbfA:
undetectable		 3ijdB-2vbfA:
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.
2wm8 MAGNESIUM-DEPENDENT
PHOSPHATASE 1

(Homo sapiens) 		PF12689
(Acid_PPase) 		5 LEU A   8
VAL A 137
GLY A 136
ILE A 102
LEU A 108
 None
 0.86A 3ijdB-2wm8A:
undetectable		 3ijdB-2wm8A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 VAL J 302
GLY J 303
LEU J 307
ILE J 332
ILE J 379
 None
None
GOL  J2002 ( 4.1A)
None
None
 0.97A 3ijdB-2wp8J:
undetectable		 3ijdB-2wp8J:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3k ALANINE RACEMASE

(Actinobacillus
succinogenes) 		PF13377
(Peripla_BP_3) 		5 LEU A 208
VAL A 216
LEU A 232
ILE A 130
LEU A 179
 None
 1.16A 3ijdB-3c3kA:
undetectable		 3ijdB-3c3kA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 352
VAL A 370
GLY A 369
ILE A 122
LEU A 316
 None
 1.06A 3ijdB-3ddmA:
7.5		 3ijdB-3ddmA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3di4 UNCHARACTERIZED
PROTEIN DUF1989

(Ruegeria
pomeroyi) 		PF09347
(DUF1989) 		5 CYH A 237
VAL A  78
GLY A  79
LEU A 256
ILE A 146
 ZN  A 286 (-2.3A)
None
None
None
None
 1.05A 3ijdB-3di4A:
undetectable		 3ijdB-3di4A:
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.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 LEU A 358
VAL A  12
GLY A  13
ARG A 186
LEU A 225
 None
FAD  A 500 ( 4.5A)
FAD  A 500 (-3.5A)
FAD  A 500 ( 4.4A)
None
 1.01A 3ijdB-3djdA:
undetectable		 3ijdB-3djdA:
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 269
GLY A 270
LEU A  99
ARG A 277
ILE A 311
 None
 1.02A 3ijdB-3eezA:
7.4		 3ijdB-3eezA:
21.63
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A 106
VAL A 111
GLY A 112
ILE A  88
ILE A   6
 None
 1.12A 3ijdB-3egoA:
undetectable		 3ijdB-3egoA:
24.09
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.
3els PRE-MRNA LEAKAGE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		5 CYH A 141
VAL A 106
GLY A 107
ILE A  82
ILE A 200
 None
 1.04A 3ijdB-3elsA:
undetectable		 3ijdB-3elsA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ffh HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Listeria
innocua) 		PF00155
(Aminotran_1_2) 		5 LEU A 186
VAL A 181
LEU A 146
ILE A 174
ILE A 216
 None
 1.16A 3ijdB-3ffhA:
undetectable		 3ijdB-3ffhA:
22.75
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.
3gv0 TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Agrobacterium
fabrum) 		PF13377
(Peripla_BP_3) 		5 LEU A 230
GLY A 237
LEU A 240
ILE A 272
ILE A 290
 None
 1.15A 3ijdB-3gv0A:
undetectable		 3ijdB-3gv0A:
22.39
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.
3hwr 2-DEHYDROPANTOATE
2-REDUCTASE

(Cupriavidus
pinatubonensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A  98
CYH A  74
GLY A   7
ILE A  27
LEU A  70
 None
None
NDP  A 300 (-3.0A)
None
None
 1.04A 3ijdB-3hwrA:
undetectable		 3ijdB-3hwrA:
19.39
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.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 LEU A  58
GLY A 420
LEU A 421
ILE A  91
LEU A  86
 None
None
NA  A 576 (-4.9A)
None
None
 1.12A 3ijdB-3hwwA:
undetectable		 3ijdB-3hwwA:
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.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		5 LEU A 297
VAL A 438
GLY A 437
LEU A 427
ILE A 424
 None
 1.16A 3ijdB-3i6dA:
undetectable		 3ijdB-3i6dA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ijd UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF02219
(MTHFR) 		12 TYR A  52
LEU A  54
CYH A  95
VAL A 121
GLY A 122
LEU A 134
ILE A 155
ARG A 158
ARG A 168
GLN A 183
LEU A 231
ILE A 233
 C2F  A 314 (-3.6A)
None
C2F  A 314 ( 4.1A)
C2F  A 314 (-4.0A)
C2F  A 314 (-3.5A)
C2F  A 314 ( 4.4A)
None
C2F  A 314 (-3.5A)
None
C2F  A 314 (-3.4A)
C2F  A 314 (-3.9A)
None
 0.29A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
100.00
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.
3io5 RECOMBINATION AND
REPAIR PROTEIN

(Escherichia
virus T4) 		PF00154
(RecA) 		5 LEU A 145
VAL A 115
ILE A 123
LEU A 175
ILE A 178
 None
 1.13A 3ijdB-3io5A:
undetectable		 3ijdB-3io5A:
21.94
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.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 LEU A 165
VAL A  27
GLY A  26
ILE A  21
LEU A 248
 None
 1.11A 3ijdB-3j4sA:
1.9		 3ijdB-3j4sA:
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.
3kg9 CURK

(Lyngbya
majuscula) 		PF14765
(PS-DH) 		5 LEU A1010
GLY A1017
LEU A1020
GLN A1199
ILE A1204
 None
 1.15A 3ijdB-3kg9A:
undetectable		 3ijdB-3kg9A:
21.21
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 VAL A 301
GLY A 300
LEU A 225
ILE A 404
ILE A 382
 None
 1.09A 3ijdB-3lkdA:
undetectable		 3ijdB-3lkdA:
21.79
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT BETA-1

(Sus scrofa) 		PF00287
(Na_K-ATPase) 		5 TYR B 112
LEU B 153
GLY B 231
ILE B 178
ILE B  80
 None
 1.07A 3ijdB-3n23B:
undetectable		 3ijdB-3n23B:
21.60
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.
3oum TOXOFLAVIN-DEGRADING
ENZYME

(Paenibacillus
polymyxa) 		PF00903
(Glyoxalase) 		5 LEU A  25
GLY A  73
ILE A 115
LEU A  41
ILE A 136
 None
 1.00A 3ijdB-3oumA:
undetectable		 3ijdB-3oumA:
23.44
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN

(Escherichia
coli) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 LEU B  21
VAL B  32
GLY B  34
LEU B   8
ILE B 172
 None
 1.16A 3ijdB-3pcoB:
undetectable		 3ijdB-3pcoB:
16.48
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 505
CYH A 508
VAL A 311
GLY A 310
ILE A 461
 None
 1.11A 3ijdB-3q9tA:
undetectable		 3ijdB-3q9tA:
20.31
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.
3r31 BETAINE ALDEHYDE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF00171
(Aldedh) 		5 LEU A 451
GLY A 422
LEU A 439
ARG A 297
LEU A 282
 None
 1.05A 3ijdB-3r31A:
undetectable		 3ijdB-3r31A:
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.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		5 LEU A 432
VAL A 407
GLY A 406
ILE A 442
LEU A 436
 None
 1.14A 3ijdB-3r4tA:
undetectable		 3ijdB-3r4tA:
19.83
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		5 GLY A 285
LEU A 286
ILE A 193
ARG A 282
GLN A 190
 None
None
HEC  A1002 ( 4.2A)
HEC  A1002 (-3.1A)
None
 1.11A 3ijdB-3s7wA:
undetectable		 3ijdB-3s7wA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 LEU A 384
GLY A 373
ILE A 367
LEU A 389
ILE A 393
 None
 1.05A 3ijdB-3sqgA:
undetectable		 3ijdB-3sqgA:
19.27
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 GLY A 285
LEU A 286
ILE A 193
ARG A 282
GLN A 190
 None
None
HEC  A1002 (-4.1A)
HEC  A1002 (-3.0A)
None
 1.11A 3ijdB-3ttbA:
undetectable		 3ijdB-3ttbA:
20.60
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 CYH A 232
VAL A  88
GLY A  89
ILE A 165
ILE A 141
 None
 1.05A 3ijdB-3vueA:
undetectable		 3ijdB-3vueA:
19.41
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 CYH A 232
VAL A  88
GLY A  89
ILE A 165
LEU A 206
 None
 1.17A 3ijdB-3vueA:
undetectable		 3ijdB-3vueA:
19.41
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 CYH A 232
VAL A  88
LEU A 105
ILE A 165
ILE A 141
 None
 1.13A 3ijdB-3vueA:
undetectable		 3ijdB-3vueA:
19.41
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.
3waz PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
abyssi) 		PF09522
(RE_R_Pab1) 		5 LEU A  78
VAL A 164
GLY A 148
ILE A 206
LEU A 201
 None
ADE  A 301 (-3.8A)
None
None
None
 1.13A 3ijdB-3wazA:
undetectable		 3ijdB-3wazA:
25.55
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.
3waz PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
abyssi) 		PF09522
(RE_R_Pab1) 		5 TYR A  68
VAL A 164
GLY A 148
ILE A 206
LEU A 201
 ADE  A 301 (-4.2A)
ADE  A 301 (-3.8A)
None
None
None
 0.83A 3ijdB-3wazA:
undetectable		 3ijdB-3wazA:
25.55
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.
4a1f REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF03796
(DnaB_C) 		5 LEU A 218
VAL A 227
GLY A 226
LEU A 307
LEU A 275
 None
 1.14A 3ijdB-4a1fA:
undetectable		 3ijdB-4a1fA:
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.
4cz1 KYNURENINE
FORMAMIDASE

(Bacillus
anthracis) 		PF04199
(Cyclase) 		5 LEU A 142
VAL A 104
ILE A 209
LEU A 187
ILE A 206
 None
 1.14A 3ijdB-4cz1A:
undetectable		 3ijdB-4cz1A:
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 122
GLY A 342
ILE A  33
LEU A 351
ILE A 357
 None
 1.11A 3ijdB-4dpkA:
undetectable		 3ijdB-4dpkA:
23.83
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.
4ea1 DEHYDROSQUALENE
SYNTHASE

(Staphylococcus
aureus) 		PF00494
(SQS_PSY) 		5 LEU A 126
VAL A 133
LEU A 107
LEU A 166
ILE A 167
 None
3RX  A 301 (-4.2A)
3RX  A 301 ( 4.9A)
None
None
 1.16A 3ijdB-4ea1A:
undetectable		 3ijdB-4ea1A:
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.
4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE

(Coffea
canephora) 		PF02458
(Transferase) 		5 TYR A 432
CYH A 265
LEU A 367
ILE A 403
ILE A 236
 None
 1.10A 3ijdB-4g0bA:
undetectable		 3ijdB-4g0bA:
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 LEU A  80
VAL A 240
GLY A 241
LEU A 287
ILE A 308
 None
 1.08A 3ijdB-4h1sA:
undetectable		 3ijdB-4h1sA:
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 LEU A 197
VAL A 177
GLY A 178
LEU A 235
ILE A 250
LEU A 353
 None
 1.49A 3ijdB-4hjhA:
undetectable		 3ijdB-4hjhA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		5 TYR A  37
LEU A  38
ILE A 356
LEU A 277
ILE A 281
 None
 1.10A 3ijdB-4iw7A:
undetectable		 3ijdB-4iw7A:
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 VAL A  78
ILE A  93
GLN A  24
LEU A 216
ILE A  32
 None
 1.12A 3ijdB-4lnfA:
undetectable		 3ijdB-4lnfA:
21.09
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 VAL A 385
ILE A 447
ARG A 446
LEU A 356
ILE A 355
 None
 1.12A 3ijdB-4mndA:
undetectable		 3ijdB-4mndA:
23.09
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.
4o4f INOSITOL
HEXAKISPHOSPHATE
KINASE

(Entamoeba
histolytica) 		PF03770
(IPK) 		5 LEU A 191
VAL A 133
GLY A 132
LEU A 260
ILE A 263
 None
 1.13A 3ijdB-4o4fA:
undetectable		 3ijdB-4o4fA:
23.40
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 GLY A 387
LEU A1237
ILE A 368
ARG A 384
GLN A 341
 None
 1.13A 3ijdB-4o9xA:
undetectable		 3ijdB-4o9xA:
8.76
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.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		5 LEU A 183
VAL A 164
GLY A 163
LEU A 242
ILE A 221
 None
 1.06A 3ijdB-4ou2A:
undetectable		 3ijdB-4ou2A:
18.97
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.
4pcz FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Lactococcus
lactis) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 TYR A  79
GLY A 101
LEU A  84
LEU A  13
ILE A  52
 None
 1.08A 3ijdB-4pczA:
undetectable		 3ijdB-4pczA:
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.
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 LEU A 668
LEU A 494
ILE A 157
ARG A 147
ILE A 457
 None
 1.15A 3ijdB-4pd3A:
undetectable		 3ijdB-4pd3A:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4px1 MALEYLACETOACETATE
ISOMERASE
(GLUTATHIONE
S-TRANSFERASE)

(Methylobacterium
extorquens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A  82
GLY A 158
ILE A 191
LEU A 166
ILE A 169
 None
 1.16A 3ijdB-4px1A:
undetectable		 3ijdB-4px1A:
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.
4qdh VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 9
CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 277
VAL A 329
GLY A 326
LEU A 272
ILE A 293
 None
 1.11A 3ijdB-4qdhA:
undetectable		 3ijdB-4qdhA:
21.62
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.
4qxd 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		5 TYR A  60
VAL A 128
GLY A 127
LEU A 225
ILE A 152
 None
 1.17A 3ijdB-4qxdA:
undetectable		 3ijdB-4qxdA:
24.07
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 150
VAL A 204
ILE A 251
LEU A 549
ILE A 553
 None
 1.14A 3ijdB-4r1dA:
undetectable		 3ijdB-4r1dA:
20.11
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 LEU A 283
CYH A 252
VAL A  17
ILE A 403
ILE A 379
 None
 1.10A 3ijdB-4r7uA:
undetectable		 3ijdB-4r7uA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		6 LEU A  80
GLY A  20
LEU A  23
ILE A  15
LEU A 159
ILE A 339
 None
None
None
FAD  A 401 (-3.9A)
None
FAD  A 401 (-3.8A)
 1.44A 3ijdB-4yshA:
undetectable		 3ijdB-4yshA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zbz URACIL-DNA
GLYCOSYLASE

(Sulfurisphaera
tokodaii) 		PF03167
(UDG) 		5 VAL A  40
GLY A  41
LEU A 121
GLN A 109
ILE A   7
 None
 1.07A 3ijdB-4zbzA:
undetectable		 3ijdB-4zbzA:
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.
4zc0 REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 LEU A 218
VAL A 227
GLY A 226
LEU A 307
LEU A 275
 None
 1.05A 3ijdB-4zc0A:
undetectable		 3ijdB-4zc0A:
20.60
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		6 LEU A 147
VAL A  44
GLY A  43
ILE A  63
LEU A 129
ILE A  49
 None
 1.38A 3ijdB-4zmuA:
undetectable		 3ijdB-4zmuA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2c XAA-PRO DIPEPTIDASE

(Mycobacterium
tuberculosis) 		PF01321
(Creatinase_N) 		5 VAL A  92
GLY A  93
ILE A  14
LEU A  23
ILE A  24
 None
 0.74A 3ijdB-5e2cA:
undetectable		 3ijdB-5e2cA:
18.24
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.
5ff5 PAAA

(Pantoea
agglomerans) 		PF00899
(ThiF) 		5 CYH A 147
LEU A 177
ILE A 162
LEU A 230
ILE A 247
 None
 1.13A 3ijdB-5ff5A:
undetectable		 3ijdB-5ff5A:
25.25
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.
5h67 CHROMOSOME PARTITION
PROTEIN SMC
CHROMOSOME PARTITION
PROTEIN SMC
SEGREGATION AND
CONDENSATION PROTEIN
A

(Bacillus
subtilis;
Bacillus
subtilis;
Bacillus
subtilis) 		PF02463
(SMC_N)
PF02463
(SMC_N)
PF02616
(SMC_ScpA) 		6 VAL B1163
GLY B1162
LEU C 221
ILE B1147
LEU A   6
ILE A  44
 None
 1.21A 3ijdB-5h67B:
undetectable		 3ijdB-5h67B:
23.37
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 VAL A  96
GLY A  97
LEU A  73
LEU A 302
ILE A 309
 None
 1.13A 3ijdB-5h7dA:
undetectable		 3ijdB-5h7dA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 LEU A  80
VAL A 240
GLY A 241
LEU A 287
ILE A 308
 None
 1.11A 3ijdB-5h7wA:
undetectable		 3ijdB-5h7wA:
19.89
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 311
LEU A 123
ILE A 157
LEU A 136
ILE A 139
 None
 1.07A 3ijdB-5idnA:
undetectable		 3ijdB-5idnA:
22.96
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.
5il0 METTL3

(Homo sapiens) 		PF05063
(MT-A70) 		5 GLY A 548
LEU A 551
ILE A 531
LEU A 417
ILE A 419
 None
EDO  A 601 (-3.8A)
None
None
None
 1.17A 3ijdB-5il0A:
undetectable		 3ijdB-5il0A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ix1 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Mus musculus) 		PF07496
(zf-CW)
PF13589
(HATPase_c_3) 		5 LEU A 170
VAL A 127
GLY A 128
LEU A  77
ILE A 197
 None
 1.12A 3ijdB-5ix1A:
undetectable		 3ijdB-5ix1A:
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.
5l8x TETRAHYDROMETHANOPTE
RIN
S-METHYLTRANSFERASE
SUBUNIT A

(Methanocaldococcus
jannaschii) 		PF04208
(MtrA) 		5 CYH A  52
VAL A  30
GLY A  50
ILE A  72
ILE A  67
 LMR  A 201 (-4.6A)
None
None
None
None
 1.02A 3ijdB-5l8xA:
undetectable		 3ijdB-5l8xA:
18.47
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.
5lng PUTATIVE FML
FIMBRIAL ADHESIN
FMLD

(Escherichia
coli) 		PF09160
(FimH_man-bind) 		5 VAL A 117
GLY A 116
ILE A  26
LEU A  67
ILE A 108
 None
 1.14A 3ijdB-5lngA:
undetectable		 3ijdB-5lngA:
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		5 TYR A 318
LEU A 293
VAL A 310
GLY A 309
ILE A 126
 None
 1.16A 3ijdB-5mscA:
undetectable		 3ijdB-5mscA:
13.63
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.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 5 LEU A 222
CYH A 199
VAL A 163
GLY A 164
ILE A 128
 None
None
None
None
FAD  A1001 ( 4.8A)
 1.08A 3ijdB-5na4A:
undetectable		 3ijdB-5na4A:
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.
5ncw SERPIN-TYPE
PROTEINASE
INHIBITOR, MIROPIN

(Tannerella
forsythia) 		PF00079
(Serpin) 		5 LEU A 271
VAL A  20
ILE A 236
ARG A 233
LEU A  12
 None
 0.96A 3ijdB-5ncwA:
undetectable		 3ijdB-5ncwA:
21.76
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.
5oat SERINE/THREONINE-PRO
TEIN KINASE PINK1,
MITOCHONDRIAL-LIKE
PROTEIN

(Tribolium
castaneum) 		no annotation 5 LEU A 301
GLY A 415
LEU A 463
ILE A 455
LEU A 317
 None
 1.06A 3ijdB-5oatA:
undetectable		 3ijdB-5oatA:
22.48
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.
5te7 HIV-1 GP120 CORE

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLY G 451
LEU G 260
ILE G 272
ARG G 273
ILE G 359
 None
 1.08A 3ijdB-5te7G:
undetectable		 3ijdB-5te7G:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uki RNA LARIAT
DEBRANCHING ENZYME,
PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 TYR A  82
CYH A  42
VAL A  12
GLY A  13
LEU A 247
 None
 1.01A 3ijdB-5ukiA:
undetectable		 3ijdB-5ukiA:
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.
5xns CHROMOSOME PARTITION
PROTEIN SMC
SEGREGATION AND
CONDENSATION PROTEIN
A

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF02463
(SMC_N)
no annotation 		6 VAL A1143
GLY A1142
LEU C 188
ILE A1127
LEU A   7
ILE A  46
 None
 1.40A 3ijdB-5xnsA:
undetectable		 3ijdB-5xnsA:
24.41
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.
6ao3 GASDERMIN-D

(Mus musculus) 		no annotation 5 LEU A 384
CYH A 448
LEU A 452
GLN A 404
LEU A 392
 None
 1.12A 3ijdB-6ao3A:
undetectable		 3ijdB-6ao3A:
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.
6bvp 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		no annotation 6 LEU A  81
CYH A 106
VAL A  41
GLY A  42
LEU A  21
LEU A  68
 None
 1.42A 3ijdB-6bvpA:
undetectable		 3ijdB-6bvpA:
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-UBIQUINONE
OXIDOREDUCTASE CHAIN
4
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 LEU M 115
VAL M 171
GLY M 172
LEU h 105
LEU M 176
 None
 0.97A 3ijdB-6g2jM:
undetectable		 3ijdB-6g2jM:
undetectable