SIMILAR PATTERNS OF AMINO ACIDS FOR 2JKJ_E_CLME1141_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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		4 PRO A 101
PRO A 106
GLY A 107
TYR A 109
 None
 0.82A 2jkjE-1a87A:
undetectable		 2jkjE-1a87A:
19.22
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.
1ad9 IGG CTM01 FAB (HEAVY
CHAIN)

(Homo sapiens) 		no annotation 5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.13A 2jkjE-1ad9H:
1.0		 2jkjE-1ad9H:
20.09
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.
1cgs IGG2B-KAPPA NC6.8
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  54
PRO H  53
THR H  58
ILE H  51
GLY H  56
 None
 1.35A 2jkjE-1cgsH:
0.0		 2jkjE-1cgsH:
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 PRO A 160
GLY A 134
ILE A 130
GLY A 132
 None
FAD  A 600 (-3.1A)
None
FAD  A 600 (-3.4A)
 0.77A 2jkjE-1d4eA:
undetectable		 2jkjE-1d4eA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1de4 HEMOCHROMATOSIS
PROTEIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 PRO A 236
GLY A 238
GLY A 240
TYR A 242
 None
 0.62A 2jkjE-1de4A:
undetectable		 2jkjE-1de4A:
18.48
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.
1emt IGG ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  54
PRO H  53
THR H  58
ILE H  51
GLY H  56
 None
 1.15A 2jkjE-1emtH:
undetectable		 2jkjE-1emtH:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		4 GLY A 272
THR A 161
ILE A 277
GLY A 274
 None
 0.80A 2jkjE-1f0iA:
0.0		 2jkjE-1f0iA:
14.97
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.
1for IGG2A-KAPPA 17-IA
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  54
PRO H  53
ILE H  51
GLY H  56
 None
 0.75A 2jkjE-1forH:
0.0		 2jkjE-1forH:
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.
1fpt IGG2A-KAPPA C3 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.13A 2jkjE-1fptH:
1.4		 2jkjE-1fptH:
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLY A 353
PRO A 344
THR A 332
ILE A 672
GLY A 346
 None
 1.45A 2jkjE-1h54A:
undetectable		 2jkjE-1h54A:
11.24
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.
1iaw TYPE II RESTRICTION
ENZYME NAEI

(Lechevalieria
aerocolonigenes) 		PF09126
(NaeI) 		4 PRO A 267
GLY A 270
ILE A 218
GLY A 214
 None
 0.78A 2jkjE-1iawA:
undetectable		 2jkjE-1iawA:
17.83
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.
1ieh BRUC.D4.4

(Lama glama) 		PF07686
(V-set) 		5 GLY A  54
PRO A  53
THR A  58
ILE A  51
GLY A  56
 None
 1.42A 2jkjE-1iehA:
undetectable		 2jkjE-1iehA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jv5 IG CHAIN HEAVY CHAIN
PRECURSOR V REGION

(Homo sapiens) 		PF07686
(V-set) 		5 GLY B 354
PRO B 353
THR B 358
ILE B 351
GLY B 356
 None
 1.08A 2jkjE-1jv5B:
undetectable		 2jkjE-1jv5B:
20.53
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.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 GLY A 270
PRO A 269
ILE A 267
GLY A 226
 PLP  A 540 (-3.3A)
None
None
PLP  A 540 (-3.6A)
 0.84A 2jkjE-1ko0A:
undetectable		 2jkjE-1ko0A:
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.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		5 PRO A 190
GLY A 188
PRO A 209
ILE A 213
GLY A 186
 None
 1.29A 2jkjE-1lbuA:
undetectable		 2jkjE-1lbuA:
23.18
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.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		4 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.78A 2jkjE-1lqtA:
undetectable		 2jkjE-1lqtA:
17.09
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.
1mex FAB 29G12 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  53
PRO H  52
ILE H  51
GLY H  55
 None
 0.82A 2jkjE-1mexH:
undetectable		 2jkjE-1mexH:
19.52
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.
1mj8 IMMUNOGLOBULIN
MS6-126

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.19A 2jkjE-1mj8H:
2.1		 2jkjE-1mj8H:
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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		4 GLY A 134
PRO A 133
THR A  33
GLY A 169
 None
 0.83A 2jkjE-1p3cA:
undetectable		 2jkjE-1p3cA:
22.58
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 PRO A 118
GLY A  88
THR A  69
ILE A 122
GLY A  84
 None
 1.32A 2jkjE-1pguA:
undetectable		 2jkjE-1pguA:
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.
1pkq (8-18C5) CHIMERIC
FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  53
PRO B  52
THR B  57
ILE B  51
GLY B  55
 None
 1.40A 2jkjE-1pkqB:
undetectable		 2jkjE-1pkqB:
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.
1plg IGG2A=KAPPA=

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  54
PRO H  53
THR H  58
ILE H  51
GLY H  56
 None
 1.13A 2jkjE-1plgH:
undetectable		 2jkjE-1plgH:
21.36
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.
1q0y FAB 9B1, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.10A 2jkjE-1q0yH:
undetectable		 2jkjE-1q0yH:
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 PRO A 429
GLY A 377
THR A 132
ILE A 396
 None
 0.79A 2jkjE-1qgdA:
undetectable		 2jkjE-1qgdA:
11.60
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.
1rvf FAB 17-IA

(Mus musculus) 		PF07686
(V-set) 		4 GLY H  53
PRO H  52
ILE H  51
GLY H  55
 None
 0.76A 2jkjE-1rvfH:
undetectable		 2jkjE-1rvfH:
18.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ut1 DR HEMAGGLUTININ
STRUCTURAL SUBUNIT

(Escherichia
coli) 		PF04619
(Adhesin_Dr) 		7 PRO A  40
GLY A  42
PRO A  43
THR A  88
ILE A 111
GLY A 113
TYR A 115
 EDO  A1143 ( 4.3A)
None
None
None
None
None
None
 0.48A 2jkjE-1ut1A:
26.1		 2jkjE-1ut1A:
99.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		4 PRO A  69
GLY A 109
ILE A  64
GLY A  66
 None
 0.85A 2jkjE-1vq0A:
undetectable		 2jkjE-1vq0A:
18.52
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.
1wt5 ANTI EGFR ANTIBODY
FV REGION

(Homo sapiens) 		PF07686
(V-set) 		5 GLY A  54
PRO A  53
THR A  58
ILE A  51
GLY A  56
 None
 1.15A 2jkjE-1wt5A:
undetectable		 2jkjE-1wt5A:
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.
1yed IGG1 FAB FRAGMENT
(D.2.4)

(Mus musculus) 		no annotation 5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.10A 2jkjE-1yedH:
undetectable		 2jkjE-1yedH:
21.20
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.
1zup HYPOTHETICAL PROTEIN
TM1739

(Thermotoga
maritima) 		PF09376
(NurA) 		4 GLY A 101
THR A  60
ILE A  64
GLY A  66
 None
 0.49A 2jkjE-1zupA:
undetectable		 2jkjE-1zupA:
19.37
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF03562
(MltA)
PF06725
(3D) 		5 PRO X 104
GLY X 314
PRO X 315
GLY X 318
TYR X 102
 None
 1.07A 2jkjE-2ae0X:
undetectable		 2jkjE-2ae0X:
16.29
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.
2cqv MYOSIN LIGHT CHAIN
KINASE, SMOOTH
MUSCLE AND
NON-MUSCLE ISOZYMES

(Homo sapiens) 		PF07679
(I-set) 		4 GLY A   7
PRO A   8
ILE A  37
GLY A  33
 None
 0.77A 2jkjE-2cqvA:
undetectable		 2jkjE-2cqvA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2czt PROSTAGLANDIN-H2
D-ISOMERASE

(Mus musculus) 		PF00061
(Lipocalin) 		4 PRO A  98
PRO A 102
GLY A 103
TYR A 105
 None
 0.57A 2jkjE-2cztA:
undetectable		 2jkjE-2cztA:
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.
2e27 ANTI-CIGUATOXIN
ANTIBODY, HEAVY
CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 GLY H  53
PRO H 521
THR H  57
ILE H  51
GLY H  55
 None
 1.11A 2jkjE-2e27H:
undetectable		 2jkjE-2e27H:
22.16
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.
2eh7 HUMANIZED KR127 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.12A 2jkjE-2eh7H:
undetectable		 2jkjE-2eh7H:
18.72
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		4 PRO A 522
ILE A 504
GLY A 506
TYR A 508
 None
 0.70A 2jkjE-2eyqA:
undetectable		 2jkjE-2eyqA:
10.66
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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		4 PRO A 177
GLY A 179
PRO A 180
ILE A 344
 None
 0.82A 2jkjE-2gp4A:
undetectable		 2jkjE-2gp4A:
14.72
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 PRO A  43
GLY A  15
ILE A  11
GLY A  13
 None
FAD  A 500 (-3.4A)
None
FAD  A 500 (-3.1A)
 0.83A 2jkjE-2gv8A:
undetectable		 2jkjE-2gv8A:
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		4 GLY A 279
PRO A 280
THR A 306
GLY A 303
 SO4  A1504 (-3.1A)
SO4  A1504 (-4.6A)
None
FMN  A1401 (-4.1A)
 0.82A 2jkjE-2h8xA:
undetectable		 2jkjE-2h8xA:
19.13
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 PRO A  87
GLY A  85
ILE A  33
GLY A  36
 None
 0.84A 2jkjE-2jisA:
undetectable		 2jkjE-2jisA:
14.70
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.
2lkg ACETYLCHOLINE
RECEPTOR

(Torpedo
marmorata) 		PF02932
(Neur_chan_memb) 		5 PRO A  49
GLY A  47
THR A 105
ILE A 102
GLY A  45
 None
 1.29A 2jkjE-2lkgA:
undetectable		 2jkjE-2lkgA:
21.19
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PRO A 155
GLY A 156
PRO A 157
THR A  62
ILE A  97
 FAD  A 701 ( 4.8A)
None
None
None
None
 1.39A 2jkjE-2panA:
undetectable		 2jkjE-2panA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb7 E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		4 GLY A 588
PRO A 589
ILE A 598
GLY A 594
 None
 0.52A 2jkjE-2pb7A:
undetectable		 2jkjE-2pb7A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 PRO A1071
GLY A1069
GLY A1074
TYR A1072
 None
 0.74A 2jkjE-2pffA:
undetectable		 2jkjE-2pffA:
9.81
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 PRO A 241
GLY A 243
GLY A 227
TYR A 229
 None
 0.72A 2jkjE-2pncA:
undetectable		 2jkjE-2pncA:
11.08
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		4 PRO A  42
GLY A  17
ILE A  13
GLY A  15
 None
FAD  A 348 (-3.4A)
None
FAD  A 348 (-3.3A)
 0.85A 2jkjE-2q7vA:
undetectable		 2jkjE-2q7vA:
17.54
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.
2qmw PREPHENATE
DEHYDRATASE

(Staphylococcus
aureus) 		PF00800
(PDT) 		5 PRO A  30
GLY A   7
PRO A   8
ILE A 129
GLY A  10
 None
 1.44A 2jkjE-2qmwA:
undetectable		 2jkjE-2qmwA:
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.
2r4s ANTIBODY FOR BETA2
ADRENOCEPTOR, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  54
PRO H  53
ILE H  51
GLY H  56
 None
 0.73A 2jkjE-2r4sH:
undetectable		 2jkjE-2r4sH:
19.34
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		4 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.77A 2jkjE-2ri6A:
undetectable		 2jkjE-2ri6A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vaw CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 PRO A  63
GLY A  68
THR A 109
GLY A  70
 None
None
GDP  A1317 (-4.0A)
None
 0.81A 2jkjE-2vawA:
undetectable		 2jkjE-2vawA:
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.
2vwe ANTI-VEGF-B
MONOCLONAL ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY E  53
PRO E  52
THR E  57
ILE E  51
GLY E  55
 None
 1.22A 2jkjE-2vweE:
undetectable		 2jkjE-2vweE:
20.91
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		4 GLY A  88
PRO A  89
GLY A  90
TYR A 101
 None
 0.82A 2jkjE-2wokA:
undetectable		 2jkjE-2wokA:
13.25
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.
2wsi FAD SYNTHETASE

(Saccharomyces
cerevisiae) 		PF01507
(PAPS_reduct) 		4 GLY A 218
THR A 115
ILE A 272
GLY A 215
 None
 0.85A 2jkjE-2wsiA:
undetectable		 2jkjE-2wsiA:
18.57
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.
2x27 OUTER MEMBRANE
PROTEIN OPRG

(Pseudomonas
aeruginosa) 		PF03922
(OmpW) 		4 GLY X 137
THR X 191
ILE X 180
GLY X 182
 None
 0.78A 2jkjE-2x27X:
undetectable		 2jkjE-2x27X:
22.94
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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 PRO A 252
GLY A 254
PRO A 255
ILE A 227
 None
 0.70A 2jkjE-2y05A:
undetectable		 2jkjE-2y05A:
17.74
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.
2y27 PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		4 GLY A 244
PRO A 245
ILE A 236
GLY A 238
 GOL  A 505 (-3.9A)
GOL  A 505 (-3.7A)
GOL  A 505 ( 4.5A)
GOL  A 505 ( 3.4A)
 0.80A 2jkjE-2y27A:
undetectable		 2jkjE-2y27A:
16.51
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.
2y4o PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		4 GLY A 248
PRO A 249
ILE A 240
GLY A 242
 DLL  A1441 ( 4.4A)
DLL  A1441 ( 4.0A)
DLL  A1441 (-4.7A)
DLL  A1441 (-4.1A)
 0.77A 2jkjE-2y4oA:
undetectable		 2jkjE-2y4oA:
16.18
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.
2ydy METHIONINE
ADENOSYLTRANSFERASE
2 SUBUNIT BETA

(Homo sapiens) 		PF04321
(RmlD_sub_bind) 		5 PRO A 221
PRO A 310
ILE A 313
GLY A 314
TYR A 186
 None
 1.48A 2jkjE-2ydyA:
undetectable		 2jkjE-2ydyA:
18.36
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		4 PRO A 206
GLY A 156
PRO A 157
GLY A 178
 None
 0.71A 2jkjE-2yxeA:
undetectable		 2jkjE-2yxeA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4q ANTI EGFR ANTIBODY
FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  54
PRO B  53
THR B  58
ILE B  51
GLY B  56
 None
 1.08A 2jkjE-2z4qB:
undetectable		 2jkjE-2z4qB:
21.80
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 PRO A  53
GLY A  55
GLY A  57
TYR A  59
 None
 0.50A 2jkjE-3a9gA:
undetectable		 2jkjE-3a9gA:
17.54
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		4 GLY A 177
THR A 146
ILE A 153
GLY A 149
 NAI  A1001 (-3.5A)
None
None
None
 0.82A 2jkjE-3afoA:
undetectable		 2jkjE-3afoA:
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.
3ahy BETA-GLUCOSIDASE

(Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		4 GLY A 173
PRO A 172
THR A 315
GLY A 175
 None
 0.84A 2jkjE-3ahyA:
undetectable		 2jkjE-3ahyA:
14.50
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.
3dwh E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		4 GLY A 588
PRO A 589
ILE A 598
GLY A 594
 None
 0.71A 2jkjE-3dwhA:
undetectable		 2jkjE-3dwhA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxp PUTATIVE ACYL-COA
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF01636
(APH) 		5 GLY A 171
PRO A 170
THR A 246
GLY A 248
TYR A 173
 None
 1.27A 2jkjE-3dxpA:
undetectable		 2jkjE-3dxpA:
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.
3esu ANTIBODY 14B7* LIGHT
CHAIN AND ANTIBODY
14B7* HEAVY CHAIN
LINKED WITH A
SYNTHETIC (GGGGS)4
LINKER

(Mus musculus) 		PF07686
(V-set) 		5 GLY F1053
PRO F1052
THR F1057
ILE F1051
GLY F1055
 None
 1.11A 2jkjE-3esuF:
undetectable		 2jkjE-3esuF:
18.07
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		4 PRO A  48
GLY A  24
ILE A  20
GLY A  22
 None
NAP  A4005 (-3.3A)
None
NAP  A4005 (-3.1A)
 0.83A 2jkjE-3f8rA:
undetectable		 2jkjE-3f8rA:
20.19
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 GLY A 307
PRO A 308
ILE A  21
GLY A  72
 None
 0.85A 2jkjE-3iuuA:
undetectable		 2jkjE-3iuuA:
14.66
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.
3j8v H16.14J HEAVY CHAIN

(Mus musculus) 		no annotation 5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.03A 2jkjE-3j8vH:
undetectable		 2jkjE-3j8vH:
19.73
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.
3j8w H263.A2 HEAVY CHAIN

(Mus musculus) 		no annotation 5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.13A 2jkjE-3j8wH:
undetectable		 2jkjE-3j8wH:
21.85
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.
3j8z H16.1A HEAVY CHAIN

(Mus musculus) 		no annotation 5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.13A 2jkjE-3j8zH:
undetectable		 2jkjE-3j8zH:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		4 PRO A 175
GLY A 149
ILE A 145
GLY A 147
 None
 0.83A 2jkjE-3kljA:
undetectable		 2jkjE-3kljA:
17.48
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.
3ntc FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.14A 2jkjE-3ntcH:
undetectable		 2jkjE-3ntcH:
19.37
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PRO A 388
GLY A 390
PRO A 391
ILE A 384
GLY A 394
 None
 1.26A 2jkjE-3nwrA:
undetectable		 2jkjE-3nwrA:
15.21
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.
3nz8 MOUSE ANTI V3
ANTIBODY 7C8 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY A  53
PRO A  52
ILE A  51
GLY A  55
 None
 0.85A 2jkjE-3nz8A:
undetectable		 2jkjE-3nz8A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz9 FAB NC-1 IGG2A HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.32A 2jkjE-3oz9H:
undetectable		 2jkjE-3oz9H:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 PRO A 299
GLY A 273
ILE A 269
GLY A 271
 None
FAD  A 669 (-3.3A)
None
FAD  A 669 (-3.5A)
 0.66A 2jkjE-3ps9A:
undetectable		 2jkjE-3ps9A:
12.57
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 PRO A 299
GLY A 273
ILE A 269
GLY A 271
 None
FAD  A 690 (-3.3A)
None
FAD  A 690 (-3.3A)
 0.73A 2jkjE-3pvcA:
undetectable		 2jkjE-3pvcA:
12.80
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.
3qum FAB 5D3D11 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  53
PRO H  52
THR H  57
ILE H  51
GLY H  55
 None
 1.16A 2jkjE-3qumH:
1.2		 2jkjE-3qumH:
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		4 GLY A 389
PRO A 390
ILE A 327
GLY A 284
 None
 0.75A 2jkjE-3rh9A:
undetectable		 2jkjE-3rh9A:
14.82
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.76A 2jkjE-3sqzA:
undetectable		 2jkjE-3sqzA:
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 GLY A 360
PRO A 331
GLY A 332
TYR A 362
 None
 0.84A 2jkjE-3t3oA:
undetectable		 2jkjE-3t3oA:
12.11
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.
3tt1 MOUSE MONOCLONAL
1GG2A FAB FRAGMENT,
KAPPA LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  54
PRO H  53
THR H  58
ILE H  51
GLY H  56
 None
 1.13A 2jkjE-3tt1H:
undetectable		 2jkjE-3tt1H:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PRO A 166
GLY A 337
THR A  19
ILE A 356
GLY A 107
 None
 1.23A 2jkjE-3tx8A:
undetectable		 2jkjE-3tx8A:
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		4 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.74A 2jkjE-3v76A:
undetectable		 2jkjE-3v76A:
18.54
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 281
THR A 317
ILE A 333
GLY A 306
 AMP  A 601 ( 3.4A)
None
None
AMP  A 601 (-4.7A)
 0.80A 2jkjE-3vnsA:
undetectable		 2jkjE-3vnsA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbd SINGLE CHAIN FV
FRAGMENT OF MAB735

(Mus musculus) 		PF07686
(V-set) 		5 GLY A 181
PRO A 180
THR A 185
ILE A 178
GLY A 183
 None
 1.13A 2jkjE-3wbdA:
undetectable		 2jkjE-3wbdA:
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.
3wea NIEMANN-PICK TYPE C2
PROTEIN

(Camponotus
japonicus) 		PF02221
(E1_DerP2_DerF2) 		4 PRO A  44
THR A 123
ILE A 122
GLY A  11
 None
 0.83A 2jkjE-3weaA:
undetectable		 2jkjE-3weaA:
17.47
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.
4ala FAB 2H12 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  54
PRO H  53
ILE H  51
GLY H  56
 None
 0.85A 2jkjE-4alaH:
2.1		 2jkjE-4alaH:
20.36
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.
4bz1 FAB 3E31 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  54
PRO H  53
THR H  58
ILE H  51
GLY H  56
 None
 1.34A 2jkjE-4bz1H:
undetectable		 2jkjE-4bz1H:
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.
4cad ANTIBODY FAB
FRAGMENT HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  54
PRO B  53
THR B  58
ILE B  51
GLY B  56
 None
 1.17A 2jkjE-4cadB:
undetectable		 2jkjE-4cadB:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmh HEAVY CHAIN OF
SAR650984-FAB
FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  54
PRO B  53
THR B  58
ILE B  51
GLY B  56
 None
 1.11A 2jkjE-4cmhB:
undetectable		 2jkjE-4cmhB:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 313
PRO A 314
ILE A 368
GLY A 316
 None
 0.84A 2jkjE-4e4uA:
undetectable		 2jkjE-4e4uA:
17.08
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLY A 454
THR A 459
ILE A 433
GLY A 456
 None
 0.81A 2jkjE-4f4cA:
undetectable		 2jkjE-4f4cA:
7.52
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 4 GLY A 211
THR A 143
ILE A 127
GLY A 129
 None
GOL  A 511 (-3.6A)
None
None
 0.83A 2jkjE-4g4iA:
undetectable		 2jkjE-4g4iA:
18.07
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.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 PRO A  39
GLY A  14
ILE A  10
GLY A  12
 None
FAD  A 401 (-3.4A)
None
FAD  A 401 (-3.2A)
 0.83A 2jkjE-4gcmA:
undetectable		 2jkjE-4gcmA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		4 GLY A 220
PRO A 221
ILE A 214
GLY A 216
 None
 0.65A 2jkjE-4gmkA:
undetectable		 2jkjE-4gmkA:
19.31
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.
4gq1 NUP37

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 PRO A  70
PRO A  17
THR A  42
ILE A  35
GLY A  36
 None
 1.50A 2jkjE-4gq1A:
undetectable		 2jkjE-4gq1A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 GLY A 332
THR A 366
ILE A 382
GLY A 355
 None
 0.75A 2jkjE-4gr4A:
undetectable		 2jkjE-4gr4A:
15.35
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.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 GLY A 332
THR A 366
ILE A 382
GLY A 355
 APC  A 601 (-3.5A)
None
None
APC  A 601 (-4.4A)
 0.83A 2jkjE-4gr5A:
undetectable		 2jkjE-4gr5A:
13.51