SIMILAR PATTERNS OF AMINO ACIDS FOR 1JLF_A_NVPA999

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.
1b6r PROTEIN
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF02222
(ATP-grasp) 		4 LEU A 179
VAL A 229
CYH A 227
GLY A 160
 None
 1.07A 1jlfA-1b6rA:
undetectable
1jlfB-1b6rA:
undetectable		 1jlfA-1b6rA:
19.76
1jlfB-1b6rA:
20.55
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.
1d9n METHYL-CPG-BINDING
PROTEIN MBD1

(Homo sapiens) 		PF01429
(MBD) 		4 LEU A  53
TYR A  35
CYH A   8
GLY A  14
 None
 1.05A 1jlfA-1d9nA:
undetectable
1jlfB-1d9nA:
undetectable		 1jlfA-1d9nA:
9.63
1jlfB-1d9nA:
11.86
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.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		4 LEU A  21
VAL A 239
GLY A 240
TYR A  25
 NAI  A1306 (-4.0A)
None
None
None
 1.04A 1jlfA-1gz6A:
0.0
1jlfB-1gz6A:
undetectable		 1jlfA-1gz6A:
21.99
1jlfB-1gz6A:
22.44
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 LEU A 414
GLY A 365
TYR A 319
GLU A 450
 None
 0.85A 1jlfA-1htqA:
2.9
1jlfB-1htqA:
2.1		 1jlfA-1htqA:
18.60
1jlfB-1htqA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		4 LEU A 425
VAL A 127
GLY A 128
GLU A 465
 None
 0.91A 1jlfA-1jv1A:
undetectable
1jlfB-1jv1A:
0.0		 1jlfA-1jv1A:
21.11
1jlfB-1jv1A:
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.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 486
VAL A 529
CYH A 527
GLY A 480
 None
 0.99A 1jlfA-1k2pA:
undetectable
1jlfB-1k2pA:
1.0		 1jlfA-1k2pA:
18.05
1jlfB-1k2pA:
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 LEU A 344
TYR A  94
GLY A  91
TYR A 348
 None
 1.06A 1jlfA-1krmA:
0.8
1jlfB-1krmA:
0.6		 1jlfA-1krmA:
21.96
1jlfB-1krmA:
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.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK

(Rattus
norvegicus) 		PF07714
(Pkinase_Tyr) 		4 LEU A 666
VAL A 732
CYH A 730
GLY A 660
 None
 1.00A 1jlfA-1lufA:
0.0
1jlfB-1lufA:
undetectable		 1jlfA-1lufA:
18.25
1jlfB-1lufA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni3 YCHF GTP-BINDING
PROTEIN

(Schizosaccharomyces
pombe) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 LEU A 110
VAL A  26
GLY A  27
GLU A 150
 None
 0.93A 1jlfA-1ni3A:
undetectable
1jlfB-1ni3A:
2.1		 1jlfA-1ni3A:
23.87
1jlfB-1ni3A:
22.95
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 346
VAL A 390
CYH A 388
GLY A 340
 None
None
None
P16  A   2 (-3.4A)
 1.05A 1jlfA-1opkA:
2.2
1jlfB-1opkA:
1.9		 1jlfA-1opkA:
21.60
1jlfB-1opkA:
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 175
TRP A 383
TYR A 474
GLU A 417
 None
None
None
FLC  A 743 ( 4.8A)
 1.08A 1jlfA-1po0A:
undetectable
1jlfB-1po0A:
undetectable		 1jlfA-1po0A:
22.38
1jlfB-1po0A:
21.26
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.
1q8i DNA POLYMERASE II

(Escherichia
coli) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 328
VAL A 178
GLY A 169
GLU A 158
 None
 1.07A 1jlfA-1q8iA:
4.8
1jlfB-1q8iA:
5.7		 1jlfA-1q8iA:
20.69
1jlfB-1q8iA:
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		4 LEU A 250
VAL A 272
GLY A 181
GLU A 247
 None
 0.96A 1jlfA-1qycA:
undetectable
1jlfB-1qycA:
undetectable		 1jlfA-1qycA:
21.06
1jlfB-1qycA:
23.23
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.
1uty NON-STRUCTURAL
PROTEIN 2

(Bluetongue
virus) 		PF04514
(BTV_NS2) 		4 LEU A  77
VAL A  99
CYH A 122
GLY A 124
 None
 0.95A 1jlfA-1utyA:
undetectable
1jlfB-1utyA:
undetectable		 1jlfA-1utyA:
16.57
1jlfB-1utyA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA) 		4 VAL A 163
TYR A  10
GLY A 197
GLU A  36
 None
 0.99A 1jlfA-1wdwA:
undetectable
1jlfB-1wdwA:
undetectable		 1jlfA-1wdwA:
19.66
1jlfB-1wdwA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		4 CYH A 308
GLY A 288
TYR A 268
GLU A 130
 None
 1.00A 1jlfA-1z7mA:
2.0
1jlfB-1z7mA:
2.0		 1jlfA-1z7mA:
20.96
1jlfB-1z7mA:
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.
2aqx PREDICTED: INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE B

(Mus musculus) 		PF03770
(IPK) 		4 TYR A 747
GLY A 874
TRP A 912
GLU A 797
 None
 0.98A 1jlfA-2aqxA:
undetectable
1jlfB-2aqxA:
undetectable		 1jlfA-2aqxA:
19.19
1jlfB-2aqxA:
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.
2ebu REPLICATION FACTOR C
SUBUNIT 1

(Homo sapiens) 		PF00533
(BRCT) 		4 TYR A 433
CYH A 406
GLY A 409
TYR A 447
 None
 1.07A 1jlfA-2ebuA:
undetectable
1jlfB-2ebuA:
undetectable		 1jlfA-2ebuA:
12.04
1jlfB-2ebuA:
12.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU A 100
TYR A 181
TRP A 229
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.3A)
 0.66A 1jlfA-2hnzA:
35.4
1jlfB-2hnzA:
20.8		 1jlfA-2hnzA:
99.07
1jlfB-2hnzA:
98.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
VAL A 106
TYR A 181
GLY A 190
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.3A)
 0.55A 1jlfA-2hnzA:
35.4
1jlfB-2hnzA:
20.8		 1jlfA-2hnzA:
99.07
1jlfB-2hnzA:
98.86
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.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 327
VAL A 371
CYH A 369
GLY A 321
 None
 1.00A 1jlfA-2hz0A:
undetectable
1jlfB-2hz0A:
undetectable		 1jlfA-2hz0A:
19.38
1jlfB-2hz0A:
20.51
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A 324
TYR A 279
GLY A 296
TYR A 300
 None
 1.06A 1jlfA-2iopA:
undetectable
1jlfB-2iopA:
undetectable		 1jlfA-2iopA:
21.90
1jlfB-2iopA:
20.47
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 LEU A 149
VAL A 123
GLY A 122
TYR A 144
 None
 0.92A 1jlfA-2ipcA:
undetectable
1jlfB-2ipcA:
undetectable		 1jlfA-2ipcA:
20.25
1jlfB-2ipcA:
18.35
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.
2jhn 3-METHYLADENINE
DNA-GLYCOSYLASE

(Archaeoglobus
fulgidus) 		PF00730
(HhH-GPD) 		4 LEU A  41
VAL A  48
GLY A  62
GLU A  68
 None
 1.01A 1jlfA-2jhnA:
undetectable
1jlfB-2jhnA:
undetectable		 1jlfA-2jhnA:
21.00
1jlfB-2jhnA:
22.10
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.
2jo6 NITRITE REDUCTASE
[NAD(P)H] SMALL
SUBUNIT

(Escherichia
coli) 		PF13806
(Rieske_2) 		4 LEU A  54
VAL A  92
CYH A  84
GLY A  82
 None
 0.88A 1jlfA-2jo6A:
undetectable
1jlfB-2jo6A:
undetectable		 1jlfA-2jo6A:
12.48
1jlfB-2jo6A:
14.87
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.
2lxf UNCHARACTERIZED
PROTEIN

(Giardia
intestinalis) 		PF00708
(Acylphosphatase) 		4 LEU A  92
VAL A  66
GLY A  76
TYR A  91
 None
 1.07A 1jlfA-2lxfA:
2.9
1jlfB-2lxfA:
2.4		 1jlfA-2lxfA:
11.07
1jlfB-2lxfA:
11.54
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.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 LEU A 111
VAL A  28
GLY A  29
GLU A 151
 None
 1.04A 1jlfA-2ohfA:
undetectable
1jlfB-2ohfA:
undetectable		 1jlfA-2ohfA:
21.92
1jlfB-2ohfA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		4 VAL A 245
CYH A 242
TYR A 259
GLU A 281
 None
 1.04A 1jlfA-2oodA:
undetectable
1jlfB-2oodA:
undetectable		 1jlfA-2oodA:
20.82
1jlfB-2oodA:
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		4 LEU A 122
VAL A  23
TYR A 270
GLY A  22
 None
 1.04A 1jlfA-2pfkA:
undetectable
1jlfB-2pfkA:
undetectable		 1jlfA-2pfkA:
21.10
1jlfB-2pfkA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		4 LEU A 269
VAL A  28
CYH A  99
GLY A  97
 None
 0.99A 1jlfA-2qruA:
undetectable
1jlfB-2qruA:
undetectable		 1jlfA-2qruA:
19.72
1jlfB-2qruA:
20.50
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.
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 795
CYH A 787
GLY A 785
GLU A 717
 None
 0.91A 1jlfA-2r4bA:
undetectable
1jlfB-2r4bA:
undetectable		 1jlfA-2r4bA:
20.75
1jlfB-2r4bA:
21.82
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.
2v3c SIGNAL RECOGNITION
54 KDA PROTEIN

(Methanocaldococcus
jannaschii) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 LEU C 217
VAL C 262
GLY C 228
GLU C 196
 None
 1.00A 1jlfA-2v3cC:
undetectable
1jlfB-2v3cC:
2.4		 1jlfA-2v3cC:
22.73
1jlfB-2v3cC:
22.97
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.
2v4v GH59 GALACTOSIDASE

([Clostridium]
cellulolyticum) 		PF03422
(CBM_6) 		4 LEU A1043
VAL A1004
CYH A1002
GLY A 985
 None
 1.00A 1jlfA-2v4vA:
undetectable
1jlfB-2v4vA:
undetectable		 1jlfA-2v4vA:
14.15
1jlfB-2v4vA:
15.28
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.
2vkp BTB/POZ
DOMAIN-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00651
(BTB) 		4 LEU A  66
TYR A  91
GLY A  33
TYR A  70
 None
 1.01A 1jlfA-2vkpA:
undetectable
1jlfB-2vkpA:
undetectable		 1jlfA-2vkpA:
11.61
1jlfB-2vkpA:
14.09
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.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 VAL A 103
TYR A  64
GLY A  25
TYR A  81
 None
GOL  A1366 (-3.7A)
None
None
 1.07A 1jlfA-2we8A:
undetectable
1jlfB-2we8A:
undetectable		 1jlfA-2we8A:
20.45
1jlfB-2we8A:
21.26
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 VAL A 381
TYR A 264
GLY A 379
TYR A 343
 None
 0.96A 1jlfA-2y3sA:
3.0
1jlfB-2y3sA:
2.1		 1jlfA-2y3sA:
21.85
1jlfB-2y3sA:
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 VAL A 488
GLY A 487
TYR A 479
GLU A 407
 None
 1.04A 1jlfA-2y6iA:
2.5
1jlfB-2y6iA:
undetectable		 1jlfA-2y6iA:
20.82
1jlfB-2y6iA:
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.
3a55 PROTEIN-GLUTAMINASE

(Chryseobacterium
proteolyticum) 		no annotation 4 VAL A  30
TYR A  50
GLY A  31
TYR A 196
 None
 1.01A 1jlfA-3a55A:
undetectable
1jlfB-3a55A:
undetectable		 1jlfA-3a55A:
20.56
1jlfB-3a55A:
19.08
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.
3ajv PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aeropyrum
pernix) 		PF01974
(tRNA_int_endo) 		4 LEU A  36
VAL A  24
GLY A  45
TYR A  32
 None
 0.95A 1jlfA-3ajvA:
undetectable
1jlfB-3ajvA:
undetectable		 1jlfA-3ajvA:
15.88
1jlfB-3ajvA:
16.86
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		4 LEU A 375
VAL A 491
GLY A 395
TRP A 581
 None
 1.02A 1jlfA-3axiA:
undetectable
1jlfB-3axiA:
1.1		 1jlfA-3axiA:
22.66
1jlfB-3axiA:
23.10
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		4 LEU A  75
VAL A 274
GLY A 275
TYR A 107
 None
 1.05A 1jlfA-3c9fA:
undetectable
1jlfB-3c9fA:
undetectable		 1jlfA-3c9fA:
23.31
1jlfB-3c9fA:
22.07
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.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 LEU A 397
TYR A 353
GLY A 158
GLU A 350
 None
 1.02A 1jlfA-3cmmA:
undetectable
1jlfB-3cmmA:
undetectable		 1jlfA-3cmmA:
18.88
1jlfB-3cmmA:
17.95
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.
3dzm HYPOTHETICAL
CONSERVED PROTEIN

(Thermus
thermophilus) 		no annotation 4 VAL A  62
TYR A  51
GLY A  60
TYR A 109
 None
 1.02A 1jlfA-3dzmA:
undetectable
1jlfB-3dzmA:
undetectable		 1jlfA-3dzmA:
17.47
1jlfB-3dzmA:
19.09
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		4 LEU A  66
VAL A 400
GLY A 377
GLU A  70
 None
 0.82A 1jlfA-3g5sA:
undetectable
1jlfB-3g5sA:
undetectable		 1jlfA-3g5sA:
21.75
1jlfB-3g5sA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		4 LEU A  55
VAL A 215
GLY A 225
GLU A  59
 None
 1.01A 1jlfA-3gzsA:
undetectable
1jlfB-3gzsA:
undetectable		 1jlfA-3gzsA:
21.84
1jlfB-3gzsA:
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.
3hka URONATE ISOMERASE

(Bacillus
halodurans) 		no annotation 4 LEU A  82
VAL A  96
GLY A  95
GLU A  54
 None
 1.00A 1jlfA-3hkaA:
undetectable
1jlfB-3hkaA:
undetectable		 1jlfA-3hkaA:
20.60
1jlfB-3hkaA:
23.46
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 LEU A 145
VAL A 119
GLY A 118
TYR A 140
 None
 1.04A 1jlfA-3juxA:
undetectable
1jlfB-3juxA:
undetectable		 1jlfA-3juxA:
21.16
1jlfB-3juxA:
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.
3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH

(Streptomyces
glaucescens) 		PF13416
(SBP_bac_8) 		4 LEU A 367
VAL A 205
TYR A 403
GLY A 393
 None
 1.07A 1jlfA-3jzjA:
undetectable
1jlfB-3jzjA:
undetectable		 1jlfA-3jzjA:
21.90
1jlfB-3jzjA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kk7 PUTATIVE CELL
INVASION PROTEIN
WITH MAC/PERFORIN
DOMAIN

(Bacteroides
thetaiotaomicron) 		PF01823
(MACPF) 		4 VAL A  97
TYR A 361
GLY A  74
TYR A 109
 None
 0.96A 1jlfA-3kk7A:
2.2
1jlfB-3kk7A:
2.1		 1jlfA-3kk7A:
20.48
1jlfB-3kk7A:
20.64
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.
3lw0 INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A1091
VAL A1143
CYH A1141
GLY A1085
 None
 1.03A 1jlfA-3lw0A:
undetectable
1jlfB-3lw0A:
undetectable		 1jlfA-3lw0A:
20.97
1jlfB-3lw0A:
20.73
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 LEU A 478
GLY A 446
TYR A 450
GLU A 493
 None
 1.04A 1jlfA-3n9vA:
undetectable
1jlfB-3n9vA:
undetectable		 1jlfA-3n9vA:
19.40
1jlfB-3n9vA:
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.
3p1z PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aeropyrum
pernix) 		PF01974
(tRNA_int_endo) 		4 LEU A  36
VAL A  24
GLY A  45
TYR A  32
 None
 0.97A 1jlfA-3p1zA:
undetectable
1jlfB-3p1zA:
undetectable		 1jlfA-3p1zA:
16.38
1jlfB-3p1zA:
17.56
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.
3p56 RIBONUCLEASE H2
SUBUNIT A

(Homo sapiens) 		PF01351
(RNase_HII) 		4 LEU A 153
VAL A  33
GLY A  32
TYR A 149
 None
 0.98A 1jlfA-3p56A:
3.6
1jlfB-3p56A:
4.3		 1jlfA-3p56A:
20.60
1jlfB-3p56A:
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.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 797
CYH A 789
GLY A 787
GLU A 719
 None
 0.98A 1jlfA-3pp0A:
undetectable
1jlfB-3pp0A:
undetectable		 1jlfA-3pp0A:
20.47
1jlfB-3pp0A:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 4 VAL L  35
TYR L 102
TRP L 105
TYR L 113
 None
 1.05A 1jlfA-3rkoL:
undetectable
1jlfB-3rkoL:
undetectable		 1jlfA-3rkoL:
20.91
1jlfB-3rkoL:
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.
3rrp PROBABLE FUMARATE
HYDRATASE FUM

(Mycobacteroides
abscessus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 397
VAL A 193
GLY A 183
TRP A 176
GLU A 307
 None
 1.41A 1jlfA-3rrpA:
undetectable
1jlfB-3rrpA:
undetectable		 1jlfA-3rrpA:
21.95
1jlfB-3rrpA:
20.96
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 VAL A 350
GLY A 351
TYR A 434
GLU A 437
 None
 1.02A 1jlfA-3sutA:
undetectable
1jlfB-3sutA:
undetectable		 1jlfA-3sutA:
22.15
1jlfB-3sutA:
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.
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 501
VAL A 544
CYH A 542
GLY A 495
 None
None
None
PP2  A   1 ( 4.2A)
 1.02A 1jlfA-3sxsA:
undetectable
1jlfB-3sxsA:
undetectable		 1jlfA-3sxsA:
18.35
1jlfB-3sxsA:
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.
3sy6 FIMBRIAL PROTEIN
BF1861

(Bacteroides
fragilis) 		PF13149
(Mfa_like_1) 		4 LEU A 116
TYR A 131
GLY A  55
TYR A 107
 None
 0.83A 1jlfA-3sy6A:
undetectable
1jlfB-3sy6A:
undetectable		 1jlfA-3sy6A:
20.00
1jlfB-3sy6A:
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.
3v5q NT-3 GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 629
VAL A 687
CYH A 685
GLY A 623
 None
None
None
0F4  A 902 (-3.4A)
 0.96A 1jlfA-3v5qA:
undetectable
1jlfB-3v5qA:
undetectable		 1jlfA-3v5qA:
19.40
1jlfB-3v5qA:
21.33
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 LEU A 989
VAL A1007
TYR A 926
GLY A1006
 None
 0.88A 1jlfA-3w9hA:
5.4
1jlfB-3w9hA:
2.6		 1jlfA-3w9hA:
20.17
1jlfB-3w9hA:
17.99
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.
3wmr PROLINE
IMINOPEPTIDASE

(Streptomyces
halstedii) 		PF00561
(Abhydrolase_1) 		4 LEU A  86
VAL A 210
GLY A  41
GLU A  90
 None
 0.95A 1jlfA-3wmrA:
undetectable
1jlfB-3wmrA:
undetectable		 1jlfA-3wmrA:
21.65
1jlfB-3wmrA:
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 4 LEU A  11
VAL A 263
TYR A  13
GLU A  72
 None
 1.01A 1jlfA-3zphA:
3.0
1jlfB-3zphA:
3.0		 1jlfA-3zphA:
17.26
1jlfB-3zphA:
20.85
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.
4aay AROB

(Rhizobium sp.
NT-26) 		PF00355
(Rieske) 		4 LEU B  79
VAL B  90
TYR B 148
GLY B  89
 None
 1.03A 1jlfA-4aayB:
undetectable
1jlfB-4aayB:
undetectable		 1jlfA-4aayB:
15.54
1jlfB-4aayB:
18.18
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 LEU A 231
TYR A 255
GLY A 199
TYR A 194
 None
 1.06A 1jlfA-4ag4A:
undetectable
1jlfB-4ag4A:
undetectable		 1jlfA-4ag4A:
17.95
1jlfB-4ag4A:
18.58
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.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 645
VAL A 700
CYH A 698
GLY A 639
 None
None
None
LTI  A1839 (-3.4A)
 0.97A 1jlfA-4at3A:
undetectable
1jlfB-4at3A:
undetectable		 1jlfA-4at3A:
20.21
1jlfB-4at3A:
19.56
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.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A  82
CYH A 120
GLY A 118
GLU A 148
 None
 1.04A 1jlfA-4bi9A:
undetectable
1jlfB-4bi9A:
undetectable		 1jlfA-4bi9A:
20.37
1jlfB-4bi9A:
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.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 6
COP9 SIGNALOSOME
COMPLEX SUBUNIT 8

(Homo sapiens) 		PF01398
(JAB)
PF10075
(CSN8_PSD8_EIF3K)
PF13012
(MitMem_reg) 		4 LEU H 200
VAL F 286
CYH F 283
GLY F 287
 None
 0.94A 1jlfA-4d10H:
undetectable
1jlfB-4d10H:
undetectable		 1jlfA-4d10H:
19.03
1jlfB-4d10H:
19.26
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.
4dn2 NITROREDUCTASE

(Geobacter
metallireducens) 		PF00881
(Nitroreductase) 		4 LEU A  -4
GLY A 127
TYR A  -3
GLU A  22
 None
 1.01A 1jlfA-4dn2A:
undetectable
1jlfB-4dn2A:
undetectable		 1jlfA-4dn2A:
16.70
1jlfB-4dn2A:
17.91
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.
4e93 TYROSINE-PROTEIN
KINASE FES/FPS

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		4 LEU A 648
VAL A 691
CYH A 689
GLY A 642
 None
None
None
GUI  A 901 (-3.5A)
 1.01A 1jlfA-4e93A:
undetectable
1jlfB-4e93A:
undetectable		 1jlfA-4e93A:
22.60
1jlfB-4e93A:
21.96
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 VAL A 548
CYH A 506
GLY A 549
GLU A 940
 None
 0.98A 1jlfA-4f4cA:
undetectable
1jlfB-4f4cA:
3.0		 1jlfA-4f4cA:
16.74
1jlfB-4f4cA:
15.14
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.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		4 LEU B  64
TYR B 277
GLY B 261
TYR B  60
 None
GOL  B 303 ( 4.3A)
None
None
 0.99A 1jlfA-4gmjB:
1.3
1jlfB-4gmjB:
1.3		 1jlfA-4gmjB:
19.18
1jlfB-4gmjB:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		4 LEU B  64
TYR B 277
GLY B 274
TYR B  60
 None
GOL  B 303 ( 4.3A)
None
None
 0.99A 1jlfA-4gmjB:
1.3
1jlfB-4gmjB:
1.3		 1jlfA-4gmjB:
19.18
1jlfB-4gmjB:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 LEU A 192
VAL A 168
GLY A 167
TYR A 194
 None
 1.01A 1jlfA-4maeA:
undetectable
1jlfB-4maeA:
undetectable		 1jlfA-4maeA:
22.82
1jlfB-4maeA:
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.
4mrp ABC TRANSPORTER
RELATED PROTEIN

(Novosphingobium
aromaticivorans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU A 582
VAL A 393
GLY A 394
GLU A 575
 None
 1.06A 1jlfA-4mrpA:
undetectable
1jlfB-4mrpA:
2.3		 1jlfA-4mrpA:
21.28
1jlfB-4mrpA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		4 LEU A 263
TYR A 138
GLY A 135
TYR A 267
 None
 0.96A 1jlfA-4p98A:
undetectable
1jlfB-4p98A:
undetectable		 1jlfA-4p98A:
20.49
1jlfB-4p98A:
19.08
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 LEU A  75
GLY A 210
TRP A  97
GLU A  59
 None
 0.76A 1jlfA-4pfyA:
undetectable
1jlfB-4pfyA:
2.2		 1jlfA-4pfyA:
22.26
1jlfB-4pfyA:
22.55
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.
4rzm EPOXIDE HYDROLASE
LASB

(Streptomyces
lasaliensis) 		PF12680
(SnoaL_2) 		4 LEU A 161
VAL A 257
GLY A 261
TYR A 162
 None
 1.01A 1jlfA-4rzmA:
undetectable
1jlfB-4rzmA:
undetectable		 1jlfA-4rzmA:
19.76
1jlfB-4rzmA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		4 LEU A  93
VAL A 137
CYH A 135
GLY A  87
 None
None
None
ACP  A1264 (-3.5A)
 1.02A 1jlfA-4ueuA:
undetectable
1jlfB-4ueuA:
undetectable		 1jlfA-4ueuA:
20.26
1jlfB-4ueuA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 4 LEU B 346
VAL B 390
CYH B 388
GLY B 340
 None
None
None
1N1  B 601 (-3.5A)
 1.02A 1jlfA-4xeyB:
undetectable
1jlfB-4xeyB:
undetectable		 1jlfA-4xeyB:
20.51
1jlfB-4xeyB:
22.83
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.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 486
VAL A 529
CYH A 527
GLY A 480
 None
 1.00A 1jlfA-4xi2A:
undetectable
1jlfB-4xi2A:
undetectable		 1jlfA-4xi2A:
22.41
1jlfB-4xi2A:
22.07
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.
4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE

(Bos taurus) 		PF00169
(PH)
PF00779
(BTK)
PF07714
(Pkinase_Tyr) 		4 LEU A 486
VAL A 529
CYH A 527
GLY A 480
 None
None
None
746  A 702 (-3.6A)
 0.96A 1jlfA-4y93A:
2.2
1jlfB-4y93A:
undetectable		 1jlfA-4y93A:
22.91
1jlfB-4y93A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yue S4B6 FAB LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L   7
TYR L  99
GLY L 102
TYR L  74
 None
 0.94A 1jlfA-4yueL:
undetectable
1jlfB-4yueL:
undetectable		 1jlfA-4yueL:
17.85
1jlfB-4yueL:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		4 LEU A 153
TYR A  58
GLY A  52
TYR A 154
 None
 0.77A 1jlfA-5a2oA:
undetectable
1jlfB-5a2oA:
undetectable		 1jlfA-5a2oA:
22.11
1jlfB-5a2oA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5afu DYNACTIN

(Sus scrofa) 		PF00022
(Actin) 		4 LEU A 337
VAL A  20
GLY A  19
TYR A 338
 None
ADP  A 800 ( 4.0A)
ADP  A 800 ( 4.0A)
None
 1.05A 1jlfA-5afuA:
undetectable
1jlfB-5afuA:
undetectable		 1jlfA-5afuA:
22.01
1jlfB-5afuA:
21.89
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.
5aj1 SWI/SNF-RELATED
MATRIX-ASSOCIATED
ACTIN-DEPENDENT
REGULATOR OF
CHROMATIN SUBFAMILY
B MEMBER 1

(Homo sapiens) 		no annotation 4 LEU A  50
VAL A  32
GLY A  29
TYR A  47
 None
 0.97A 1jlfA-5aj1A:
undetectable
1jlfB-5aj1A:
undetectable		 1jlfA-5aj1A:
12.39
1jlfB-5aj1A:
15.49
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 LEU A  59
VAL A  14
GLY A  17
TRP A 218
 None
 1.01A 1jlfA-5cj5A:
undetectable
1jlfB-5cj5A:
3.3		 1jlfA-5cj5A:
21.15
1jlfB-5cj5A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 LEU B 124
VAL B 366
GLY B 367
TYR B 128
 None
 1.01A 1jlfA-5fwxB:
undetectable
1jlfB-5fwxB:
undetectable		 1jlfA-5fwxB:
22.20
1jlfB-5fwxB:
22.61
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.
5nqd ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 4 LEU B  79
VAL B  90
TYR B 148
GLY B  89
 None
 1.05A 1jlfA-5nqdB:
undetectable
1jlfB-5nqdB:
undetectable		 1jlfA-5nqdB:
11.49
1jlfB-5nqdB:
12.61
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 4 LEU B 439
VAL B 397
GLY B 444
TYR B 436
 None
 0.95A 1jlfA-5ofbB:
undetectable
1jlfB-5ofbB:
undetectable		 1jlfA-5ofbB:
9.59
1jlfB-5ofbB:
10.53
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 LEU A 637
GLY A 606
TYR A 610
GLU A 652
 None
 1.07A 1jlfA-5okoA:
undetectable
1jlfB-5okoA:
undetectable		 1jlfA-5okoA:
22.65
1jlfB-5okoA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 4 LEU A  99
VAL A 105
GLY A 189
TYR A 317
 None
 0.82A 1jlfA-5ovnA:
25.8
1jlfB-5ovnA:
16.0		 1jlfA-5ovnA:
55.00
1jlfB-5ovnA:
55.00
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.
5w4x UDP-GLUCOSE
6-DEHYDROGENASE

(Homo sapiens) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 LEU A 423
VAL A 411
TYR A 367
TYR A 425
 None
 0.85A 1jlfA-5w4xA:
undetectable
1jlfB-5w4xA:
undetectable		 1jlfA-5w4xA:
22.89
1jlfB-5w4xA:
21.57
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.
5y9p -

(-) 		no annotation 4 LEU A 211
TYR A 218
GLY A 225
TYR A 207
 None
 1.05A 1jlfA-5y9pA:
3.1
1jlfB-5y9pA:
3.1		 1jlfA-5y9pA:
undetectable
1jlfB-5y9pA:
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.
5yly NITRATE REDUCTASE

(Ulva prolifera) 		no annotation 4 VAL A 858
GLY A 857
TYR A 826
GLU A 850
 None
 0.90A 1jlfA-5ylyA:
undetectable
1jlfB-5ylyA:
undetectable		 1jlfA-5ylyA:
8.79
1jlfB-5ylyA:
10.27
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.
6avf HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-7 ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 LEU H 172
VAL H 103
GLY H 104
GLU H 180
 None
 0.94A 1jlfA-6avfH:
undetectable
1jlfB-6avfH:
undetectable		 1jlfA-6avfH:
10.08
1jlfB-6avfH:
12.35
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 4 LEU A 537
VAL A 498
TYR A 282
GLY A 499
 None
 0.83A 1jlfA-6bfuA:
undetectable
1jlfB-6bfuA:
undetectable		 1jlfA-6bfuA:
19.54
1jlfB-6bfuA:
16.28
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.
6da0 GLUCOKINASE

(Naegleria
fowleri) 		no annotation 4 LEU A 203
TYR A 267
CYH A 271
GLY A 208
 None
None
None
BGC  A 500 (-3.6A)
 1.05A 1jlfA-6da0A:
3.1
1jlfB-6da0A:
4.9		 1jlfA-6da0A:
8.79
1jlfB-6da0A:
9.65
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 LEU A 880
VAL A 665
GLY A 750
TRP A 754
 None
 1.06A 1jlfA-6eotA:
undetectable
1jlfB-6eotA:
undetectable		 1jlfA-6eotA:
9.61
1jlfB-6eotA:
11.09
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 VAL A 754
GLY A 752
TYR A 863
GLU A 823
 EDO  A1005 (-4.4A)
None
None
None
 1.05A 1jlfA-6gh2A:
undetectable
1jlfB-6gh2A:
undetectable		 1jlfA-6gh2A:
9.46
1jlfB-6gh2A:
10.79