SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDH_C_DAHC60_1

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.
1ad9 IGG CTM01 FAB (HEAVY
CHAIN)

(Homo sapiens) 		no annotation 4 MET H  80
ASN H  76
VAL H  71
LEU H  69
 None
 1.12A 5xdhA-1ad9H:
undetectable
5xdhC-1ad9H:
undetectable		 5xdhA-1ad9H:
16.59
5xdhC-1ad9H:
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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLN A 110
MET A 172
ASN A 130
LEU A 137
 None
 1.14A 5xdhA-1akmA:
0.0
5xdhC-1akmA:
0.0		 5xdhA-1akmA:
12.00
5xdhC-1akmA:
12.00
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.
1e4w TAB2

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 MET H  80
ASN H  76
VAL H  71
LEU H  69
 None
 1.18A 5xdhA-1e4wH:
undetectable
5xdhC-1e4wH:
undetectable		 5xdhA-1e4wH:
16.58
5xdhC-1e4wH:
16.58
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 HIS A 291
ASN A 390
VAL A 393
LEU A  82
 None
 1.07A 5xdhA-1gwiA:
0.0
5xdhC-1gwiA:
0.0		 5xdhA-1gwiA:
11.14
5xdhC-1gwiA:
11.14
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF13247
(Fer4_11) 		4 GLN B  18
HIS B  55
ASN B  40
VAL B  52
 None
None
None
SF4  B1011 ( 4.9A)
 1.32A 5xdhA-1h0hB:
undetectable
5xdhC-1h0hB:
undetectable		 5xdhA-1h0hB:
24.07
5xdhC-1h0hB:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hzf COMPLEMENT FACTOR
C4A

(Homo sapiens) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		4 GLN A1265
MET A1201
ASN A1208
LEU A1198
 None
 1.17A 5xdhA-1hzfA:
0.0
5xdhC-1hzfA:
undetectable		 5xdhA-1hzfA:
11.30
5xdhC-1hzfA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 GLN A 232
HIS A 335
ASN A 190
VAL A 229
 HEM  A1522 ( 4.7A)
HEM  A1521 (-3.2A)
HEM  A1522 ( 4.1A)
None
 1.29A 5xdhA-1oahA:
undetectable
5xdhC-1oahA:
undetectable		 5xdhA-1oahA:
10.16
5xdhC-1oahA:
10.16
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		4 GLN A  99
ASN A  37
VAL A 136
LEU A 141
 None
 1.25A 5xdhA-1smrA:
undetectable
5xdhC-1smrA:
undetectable		 5xdhA-1smrA:
14.01
5xdhC-1smrA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 MET A 138
ASN A 132
VAL A 128
LEU A 126
 None
 1.33A 5xdhA-1sqjA:
undetectable
5xdhC-1sqjA:
undetectable		 5xdhA-1sqjA:
6.96
5xdhC-1sqjA:
6.96
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 MET A 138
ASN A 134
VAL A 128
LEU A 126
 None
 1.28A 5xdhA-1sqjA:
undetectable
5xdhC-1sqjA:
undetectable		 5xdhA-1sqjA:
6.96
5xdhC-1sqjA:
6.96
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.
1t04 HUZAF ANTIBODY HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 MET B  81
ASN B  77
VAL B  72
LEU B  70
 None
 1.10A 5xdhA-1t04B:
undetectable
5xdhC-1t04B:
undetectable		 5xdhA-1t04B:
16.57
5xdhC-1t04B:
16.57
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLN A 235
ASN A 236
VAL A 234
LEU A 329
 None
 1.36A 5xdhA-1w61A:
0.0
5xdhC-1w61A:
undetectable		 5xdhA-1w61A:
11.53
5xdhC-1w61A:
11.53
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		4 GLN A  10
ASN A   9
VAL A  15
LEU A 105
 None
 1.21A 5xdhA-1wkrA:
undetectable
5xdhC-1wkrA:
undetectable		 5xdhA-1wkrA:
15.72
5xdhC-1wkrA:
15.72
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		4 HIS A 308
MET A 215
VAL A 220
LEU A 216
 None
 1.03A 5xdhA-1xi8A:
0.0
5xdhC-1xi8A:
0.0		 5xdhA-1xi8A:
11.94
5xdhC-1xi8A:
11.94
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.
1yjd FAB FRAGMENT OF
5.11A1 ANTIBODY
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 MET H  81
ASN H  77
VAL H  72
LEU H  70
 None
 1.00A 5xdhA-1yjdH:
undetectable
5xdhC-1yjdH:
undetectable		 5xdhA-1yjdH:
19.16
5xdhC-1yjdH:
19.16
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		4 HIS A  87
ASN A 170
VAL A 168
LEU A 154
 None
NAD  A1350 (-3.3A)
None
None
 1.15A 5xdhA-1z9aA:
0.0
5xdhC-1z9aA:
0.0		 5xdhA-1z9aA:
16.67
5xdhC-1z9aA:
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.
2bj8 NICKEL RESPONSIVE
REGULATOR

(Pyrococcus
horikoshii) 		PF01402
(RHH_1)
PF08753
(NikR_C) 		4 HIS A  89
ASN A  63
VAL A  69
LEU A  74
 NI  A1137 (-3.3A)
None
None
None
 1.10A 5xdhA-2bj8A:
undetectable
5xdhC-2bj8A:
undetectable		 5xdhA-2bj8A:
19.57
5xdhC-2bj8A:
19.57
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.
2c41 DPS FAMILY
DNA-BINDING STRESS
RESPONSE PROTEIN

(Thermosynechococcus
elongatus) 		PF00210
(Ferritin) 		4 HIS A 139
ASN A  28
VAL A  23
LEU A  62
 None
 1.34A 5xdhA-2c41A:
0.0
5xdhC-2c41A:
0.0		 5xdhA-2c41A:
19.75
5xdhC-2c41A:
19.75
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1

(Saccharomyces
cerevisiae) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 HIS A 179
ASN A 482
VAL A 477
LEU A 192
 None
 1.30A 5xdhA-2cvtA:
undetectable
5xdhC-2cvtA:
0.0		 5xdhA-2cvtA:
6.51
5xdhC-2cvtA:
6.51
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.
2eky UPF0045 PROTEIN
MJ1052

(Methanocaldococcus
jannaschii) 		PF01910
(Thiamine_BP) 		4 HIS A  64
ASN A  69
VAL A  71
LEU A  16
 None
 1.31A 5xdhA-2ekyA:
undetectable
5xdhC-2ekyA:
undetectable		 5xdhA-2ekyA:
19.61
5xdhC-2ekyA:
19.61
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 328
ASN A 277
VAL A 204
LEU A 200
 None
 1.08A 5xdhA-2eu9A:
0.0
5xdhC-2eu9A:
0.0		 5xdhA-2eu9A:
14.38
5xdhC-2eu9A:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g2r GREEN-FLUORESCENT
ANTIBODY
(11G10)-HEAVY CHAIN

(Mus musculus) 		no annotation 4 MET H  80
ASN H  76
VAL H  71
LEU H  69
 None
 0.92A 5xdhA-2g2rH:
undetectable
5xdhC-2g2rH:
undetectable		 5xdhA-2g2rH:
16.24
5xdhC-2g2rH:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE

(Aneurinibacillus
thermoaerophilus) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A 164
ASN A  89
VAL A 142
LEU A 134
 None
 1.33A 5xdhA-2pk3A:
undetectable
5xdhC-2pk3A:
0.0		 5xdhA-2pk3A:
14.79
5xdhC-2pk3A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poz PUTATIVE DEHYDRATASE

(Mesorhizobium
japonicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 320
ASN A 324
VAL A 112
LEU A 108
 None
 1.26A 5xdhA-2pozA:
undetectable
5xdhC-2pozA:
undetectable		 5xdhA-2pozA:
11.32
5xdhC-2pozA:
11.32
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 HIS A 372
MET A 334
ASN A 406
LEU A 333
 None
None
AD0  A1617 (-3.0A)
None
 1.33A 5xdhA-2uvfA:
undetectable
5xdhC-2uvfA:
undetectable		 5xdhA-2uvfA:
9.52
5xdhC-2uvfA:
9.52
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.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 GLN A 178
HIS A 154
MET A 297
LEU A  59
 None
 1.26A 5xdhA-2vatA:
undetectable
5xdhC-2vatA:
undetectable		 5xdhA-2vatA:
11.16
5xdhC-2vatA:
11.16
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 HIS A 179
ASN A 478
VAL A 473
LEU A 192
 None
 1.29A 5xdhA-2wghA:
undetectable
5xdhC-2wghA:
undetectable		 5xdhA-2wghA:
9.23
5xdhC-2wghA:
9.23
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLN A 985
HIS A1011
ASN A 982
LEU A1029
 None
 1.27A 5xdhA-2xt6A:
undetectable
5xdhC-2xt6A:
undetectable		 5xdhA-2xt6A:
6.01
5xdhC-2xt6A:
6.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b59 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00903
(Glyoxalase) 		4 HIS A 184
MET A 175
VAL A 266
LEU A 171
 None
 1.36A 5xdhA-3b59A:
undetectable
5xdhC-3b59A:
undetectable		 5xdhA-3b59A:
14.86
5xdhC-3b59A:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dit PROTEIN MOTHERS
AGAINST DPP

(Drosophila
melanogaster) 		PF03166
(MH2) 		4 HIS A 353
ASN A 375
VAL A 333
LEU A 370
 None
 1.28A 5xdhA-3ditA:
undetectable
5xdhC-3ditA:
undetectable		 5xdhA-3ditA:
17.65
5xdhC-3ditA:
17.65
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.
3dnl HIV-1 ENVELOPE
GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 HIS B 374
ASN B 377
VAL B 255
LEU B 260
 None
 1.32A 5xdhA-3dnlB:
undetectable
5xdhC-3dnlB:
undetectable		 5xdhA-3dnlB:
19.86
5xdhC-3dnlB:
19.86
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		4 HIS A 490
ASN A 471
VAL A 312
LEU A   8
 None
 1.11A 5xdhA-3e2dA:
undetectable
5xdhC-3e2dA:
undetectable		 5xdhA-3e2dA:
10.39
5xdhC-3e2dA:
10.39
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 MET A 530
ASN A 537
VAL A 535
LEU A 531
 None
 1.10A 5xdhA-3igoA:
undetectable
5xdhC-3igoA:
undetectable		 5xdhA-3igoA:
9.64
5xdhC-3igoA:
9.64
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		4 GLN A  38
HIS A  59
MET A  98
VAL A  88
 None
 1.12A 5xdhA-3jweA:
undetectable
5xdhC-3jweA:
undetectable		 5xdhA-3jweA:
18.67
5xdhC-3jweA:
18.67
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.
3lh5 TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		4 GLN A 720
ASN A 717
VAL A 800
LEU A 638
 None
 1.23A 5xdhA-3lh5A:
undetectable
5xdhC-3lh5A:
undetectable		 5xdhA-3lh5A:
16.26
5xdhC-3lh5A:
16.26
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		4 MET A 260
ASN A 256
VAL A 253
LEU A 251
 None
 1.30A 5xdhA-3n6xA:
undetectable
5xdhC-3n6xA:
undetectable		 5xdhA-3n6xA:
13.39
5xdhC-3n6xA:
13.39
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.
3o8j 2-METHYLCITRATE
SYNTHASE

(Salmonella
enterica) 		PF00285
(Citrate_synt) 		4 GLN A 246
MET A 335
VAL A 330
LEU A 294
 None
 1.20A 5xdhA-3o8jA:
0.0
5xdhC-3o8jA:
0.1		 5xdhA-3o8jA:
10.61
5xdhC-3o8jA:
10.61
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		4 GLN A 542
HIS A 504
ASN A 512
LEU A 536
 None
 1.30A 5xdhA-3ohnA:
undetectable
5xdhC-3ohnA:
undetectable		 5xdhA-3ohnA:
9.71
5xdhC-3ohnA:
9.71
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.
3shw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		4 GLN A 720
ASN A 717
VAL A 800
LEU A 638
 None
 1.17A 5xdhA-3shwA:
undetectable
5xdhC-3shwA:
undetectable		 5xdhA-3shwA:
10.98
5xdhC-3shwA:
10.98
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.
3tih HIV-1 CLADE C
ZM109F.PB4 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 HIS A 374
ASN A 377
VAL A 255
LEU A 260
 None
 1.25A 5xdhA-3tihA:
undetectable
5xdhC-3tihA:
undetectable		 5xdhA-3tihA:
11.01
5xdhC-3tihA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 MET A 479
ASN A 469
VAL A 474
LEU A 478
 None
 1.33A 5xdhA-3tlmA:
undetectable
5xdhC-3tlmA:
undetectable		 5xdhA-3tlmA:
7.61
5xdhC-3tlmA:
7.61
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		4 HIS A 486
ASN A 467
VAL A 308
LEU A   8
 None
 1.17A 5xdhA-3wbhA:
undetectable
5xdhC-3wbhA:
undetectable		 5xdhA-3wbhA:
10.06
5xdhC-3wbhA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 4 GLN A 584
ASN A 441
VAL A 443
LEU A 445
 None
None
TRQ  A 581 ( 4.6A)
None
 1.24A 5xdhA-3wevA:
undetectable
5xdhC-3wevA:
undetectable		 5xdhA-3wevA:
8.54
5xdhC-3wevA:
8.54
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.
3wtr UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF04315
(EpmC) 		4 GLN A 174
HIS A   5
VAL A 110
LEU A 161
 None
 1.30A 5xdhA-3wtrA:
undetectable
5xdhC-3wtrA:
undetectable		 5xdhA-3wtrA:
17.58
5xdhC-3wtrA:
17.58
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLN A 985
HIS A1011
ASN A 982
LEU A1029
 None
 1.26A 5xdhA-3zhrA:
undetectable
5xdhC-3zhrA:
undetectable		 5xdhA-3zhrA:
7.85
5xdhC-3zhrA:
7.85
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.
4a5p PROTEIN MXIA

(Shigella
flexneri) 		PF00771
(FHIPEP) 		4 MET A 593
ASN A 642
VAL A 644
LEU A 646
 None
MLY  A 641 ( 4.2A)
MLY  A 590 ( 4.3A)
None
 1.21A 5xdhA-4a5pA:
undetectable
5xdhC-4a5pA:
undetectable		 5xdhA-4a5pA:
11.37
5xdhC-4a5pA:
11.37
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.
4bbm CYCLIN-DEPENDENT
KINASE-LIKE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 109
ASN A 112
VAL A 140
LEU A 133
 None
None
None
TC0  A 500 (-4.3A)
 1.07A 5xdhA-4bbmA:
undetectable
5xdhC-4bbmA:
0.1		 5xdhA-4bbmA:
14.83
5xdhC-4bbmA:
14.83
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.
4bbm CYCLIN-DEPENDENT
KINASE-LIKE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 109
HIS A 124
VAL A 140
LEU A 133
 None
None
None
TC0  A 500 (-4.3A)
 1.22A 5xdhA-4bbmA:
undetectable
5xdhC-4bbmA:
0.1		 5xdhA-4bbmA:
14.83
5xdhC-4bbmA:
14.83
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.
4d63 FIBER KNOB DOMAIN

(Turkey
siadenovirus A) 		no annotation 4 MET A 427
ASN A 422
VAL A 420
LEU A 418
 None
SIA  A1455 (-4.5A)
SIA  A1455 (-4.4A)
None
 1.14A 5xdhA-4d63A:
undetectable
5xdhC-4d63A:
undetectable		 5xdhA-4d63A:
22.39
5xdhC-4d63A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 HIS A 242
ASN A 175
VAL A 141
LEU A 199
 None
 1.34A 5xdhA-4dyjA:
undetectable
5xdhC-4dyjA:
undetectable		 5xdhA-4dyjA:
10.73
5xdhC-4dyjA:
10.73
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.
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		4 GLN A 293
ASN A 206
VAL A 342
LEU A 315
 GLN  A 293 ( 0.6A)
ASN  A 206 ( 0.6A)
VAL  A 342 ( 0.5A)
LEU  A 315 ( 0.5A)
 1.08A 5xdhA-4hneA:
undetectable
5xdhC-4hneA:
undetectable		 5xdhA-4hneA:
11.94
5xdhC-4hneA:
11.94
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.
4i5j SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT ALPHA

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 HIS A 443
MET A 426
ASN A 436
LEU A 407
 None
 1.29A 5xdhA-4i5jA:
undetectable
5xdhC-4i5jA:
undetectable		 5xdhA-4i5jA:
16.16
5xdhC-4i5jA:
16.16
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.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLN A   9
HIS A 301
MET A   1
ASN A 307
 None
 1.21A 5xdhA-4l1fA:
undetectable
5xdhC-4l1fA:
undetectable		 5xdhA-4l1fA:
12.37
5xdhC-4l1fA:
12.37
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 HIS A  96
ASN A 251
VAL A 247
LEU A 294
 TPO  A  92 ( 3.9A)
None
None
None
 1.37A 5xdhA-4n7tA:
undetectable
5xdhC-4n7tA:
undetectable		 5xdhA-4n7tA:
12.26
5xdhC-4n7tA:
12.26
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 GLN A 735
MET A 726
VAL A 731
LEU A 727
 None
 1.18A 5xdhA-4ncnA:
undetectable
5xdhC-4ncnA:
undetectable		 5xdhA-4ncnA:
12.23
5xdhC-4ncnA:
12.23
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.
4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		4 GLN A  57
HIS A   8
MET A 187
LEU A  52
 None
 1.36A 5xdhA-4nekA:
undetectable
5xdhC-4nekA:
undetectable		 5xdhA-4nekA:
16.28
5xdhC-4nekA:
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.
4pds SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 HIS A 311
MET A 394
VAL A 389
LEU A 320
 None
 1.14A 5xdhA-4pdsA:
undetectable
5xdhC-4pdsA:
undetectable		 5xdhA-4pdsA:
11.53
5xdhC-4pdsA:
11.53
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		4 GLN X 112
MET X 131
ASN X 115
LEU X 134
 None
 1.28A 5xdhA-4pkaX:
undetectable
5xdhC-4pkaX:
undetectable		 5xdhA-4pkaX:
15.18
5xdhC-4pkaX:
15.18
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 4 HIS A  74
MET A 293
VAL A  90
LEU A  88
 None
 1.31A 5xdhA-4rkmA:
undetectable
5xdhC-4rkmA:
undetectable		 5xdhA-4rkmA:
8.91
5xdhC-4rkmA:
8.91
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 GLN A  78
ASN A  69
VAL A  95
LEU A 118
 None
 1.25A 5xdhA-4rs3A:
undetectable
5xdhC-4rs3A:
undetectable		 5xdhA-4rs3A:
15.46
5xdhC-4rs3A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 4 GLN B 735
MET B 726
VAL B 731
LEU B 727
 None
 1.12A 5xdhA-4tmzB:
undetectable
5xdhC-4tmzB:
undetectable		 5xdhA-4tmzB:
11.70
5xdhC-4tmzB:
11.70
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 HIS A 204
ASN A 222
VAL A 170
LEU A 173
 None
 1.14A 5xdhA-5a5tA:
undetectable
5xdhC-5a5tA:
undetectable		 5xdhA-5a5tA:
4.18
5xdhC-5a5tA:
4.18
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.
5a7x HIV-1 YU2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 HIS A 374
ASN A 377
VAL A 255
LEU A 260
 None
 1.26A 5xdhA-5a7xA:
undetectable
5xdhC-5a7xA:
undetectable		 5xdhA-5a7xA:
12.14
5xdhC-5a7xA:
12.14
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.
5an9 60S RIBOSOMAL
PROTEIN L23

(Dictyostelium
discoideum) 		PF00238
(Ribosomal_L14) 		4 GLN E  81
MET E  57
VAL E  54
LEU E  77
 None
 1.05A 5xdhA-5an9E:
undetectable
5xdhC-5an9E:
undetectable		 5xdhA-5an9E:
22.79
5xdhC-5an9E:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b6k UNCHARACTERIZED
PROTEIN CGKR1

([Candida]
glabrata) 		PF01370
(Epimerase) 		4 GLN A 343
HIS A  46
ASN A 214
VAL A 216
 None
 1.34A 5xdhA-5b6kA:
undetectable
5xdhC-5b6kA:
undetectable		 5xdhA-5b6kA:
11.97
5xdhC-5b6kA:
11.97
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.
5c08 1E6 TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 GLN D   6
MET D  48
ASN D  22
LEU D  47
 None
None
SO4  D 204 (-4.0A)
None
 1.20A 5xdhA-5c08D:
undetectable
5xdhC-5c08D:
undetectable		 5xdhA-5c08D:
20.75
5xdhC-5c08D:
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 GLN A 547
HIS B  26
ASN A 510
LEU A 519
 None
 1.05A 5xdhA-5c6gA:
undetectable
5xdhC-5c6gA:
undetectable		 5xdhA-5c6gA:
11.18
5xdhC-5c6gA:
11.18
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		4 GLN A 287
MET A 175
ASN A 291
LEU A 179
 None
 1.35A 5xdhA-5da0A:
undetectable
5xdhC-5da0A:
undetectable		 5xdhA-5da0A:
9.21
5xdhC-5da0A:
9.21
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		4 HIS A  20
ASN A  17
VAL A  97
LEU A  55
 None
 1.27A 5xdhA-5dxxA:
undetectable
5xdhC-5dxxA:
undetectable		 5xdhA-5dxxA:
10.59
5xdhC-5dxxA:
10.59
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 GLN A 366
MET A  93
ASN A 364
LEU A  96
 None
 1.31A 5xdhA-5eefA:
undetectable
5xdhC-5eefA:
undetectable		 5xdhA-5eefA:
11.33
5xdhC-5eefA:
11.33
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 243
ASN A 427
VAL A 425
LEU A 399
 None
 1.18A 5xdhA-5ehfA:
undetectable
5xdhC-5ehfA:
undetectable		 5xdhA-5ehfA:
11.20
5xdhC-5ehfA:
11.20
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.
5epw NUCLEOPROTEIN

(Human
coronavirus
NL63) 		PF00937
(Corona_nucleoca) 		4 GLN A 266
MET A 259
ASN A 267
VAL A 265
 None
 1.34A 5xdhA-5epwA:
undetectable
5xdhC-5epwA:
undetectable		 5xdhA-5epwA:
22.43
5xdhC-5epwA:
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		4 GLN D 454
HIS D 431
VAL D 456
LEU D 202
 None
 1.27A 5xdhA-5exrD:
undetectable
5xdhC-5exrD:
undetectable		 5xdhA-5exrD:
9.08
5xdhC-5exrD:
9.08
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.
5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 HIS G 374
ASN G 377
VAL G 255
LEU G 260
 None
 1.28A 5xdhA-5f9oG:
undetectable
5xdhC-5f9oG:
undetectable		 5xdhA-5f9oG:
10.34
5xdhC-5f9oG:
10.34
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.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 GLN A  77
ASN A  69
VAL A  38
LEU A  93
 None
 1.32A 5xdhA-5hsgA:
undetectable
5xdhC-5hsgA:
undetectable		 5xdhA-5hsgA:
16.90
5xdhC-5hsgA:
16.90
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.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 MET A 252
ASN A 258
VAL A 255
LEU A 253
 None
 1.31A 5xdhA-5hu3A:
0.6
5xdhC-5hu3A:
undetectable		 5xdhA-5hu3A:
18.31
5xdhC-5hu3A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		4 GLN A 287
MET A 175
ASN A 291
LEU A 179
 None
 1.35A 5xdhA-5iofA:
undetectable
5xdhC-5iofA:
undetectable		 5xdhA-5iofA:
13.25
5xdhC-5iofA:
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.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		4 GLN A 448
ASN A 447
VAL A 414
LEU A 494
 None
 1.37A 5xdhA-5jm6A:
undetectable
5xdhC-5jm6A:
undetectable		 5xdhA-5jm6A:
13.25
5xdhC-5jm6A:
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.
5jor FAB14.22 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 MET B  80
ASN B  76
VAL B  71
LEU B  69
 None
 0.94A 5xdhA-5jorB:
undetectable
5xdhC-5jorB:
undetectable		 5xdhA-5jorB:
14.77
5xdhC-5jorB:
14.77
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 MET A 671
ASN A 651
VAL A 646
LEU A 673
 None
 1.12A 5xdhA-5jqkA:
undetectable
5xdhC-5jqkA:
undetectable		 5xdhA-5jqkA:
8.57
5xdhC-5jqkA:
8.57
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.
5jym ANTIBODY SCFV TSP11

(Mus musculus) 		PF07686
(V-set) 		4 MET B  81
ASN B  77
VAL B  72
LEU B  70
 None
 0.97A 5xdhA-5jymB:
undetectable
5xdhC-5jymB:
undetectable		 5xdhA-5jymB:
14.92
5xdhC-5jymB:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		4 GLN A 202
HIS A 191
VAL A 198
LEU A  29
 None
 0.86A 5xdhA-5lgcA:
undetectable
5xdhC-5lgcA:
undetectable		 5xdhA-5lgcA:
20.00
5xdhC-5lgcA:
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		4 GLN A 463
ASN A 404
VAL A 408
LEU A 120
 None
 1.17A 5xdhA-5m8jA:
0.2
5xdhC-5m8jA:
0.1		 5xdhA-5m8jA:
9.44
5xdhC-5m8jA:
9.44
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.
5o82 INTRACELLULAR
EXO-ALPHA-(1->5)-L-A
RABINOFURANOSIDASE

(Chaetomium
thermophilum) 		no annotation 4 GLN A 104
HIS A 157
ASN A 103
VAL A  86
 None
 1.06A 5xdhA-5o82A:
undetectable
5xdhC-5o82A:
undetectable		 5xdhA-5o82A:
18.07
5xdhC-5o82A:
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.
5tud ANTI-5-HT2B FAB
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 MET C  81
ASN C  77
VAL C  72
LEU C  70
 None
 1.05A 5xdhA-5tudC:
undetectable
5xdhC-5tudC:
undetectable		 5xdhA-5tudC:
16.11
5xdhC-5tudC:
16.11
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 HIS A 179
ASN A 478
VAL A 473
LEU A 192
 None
 1.24A 5xdhA-5tusA:
undetectable
5xdhC-5tusA:
undetectable		 5xdhA-5tusA:
9.02
5xdhC-5tusA:
9.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u87 PREPROALBUMIN PAWS1

(Helianthus
annuus) 		PF00234
(Tryp_alpha_amyl) 		4 GLN A  81
ASN A  30
VAL A  78
LEU A 106
 None
 1.35A 5xdhA-5u87A:
undetectable
5xdhC-5u87A:
undetectable		 5xdhA-5u87A:
18.18
5xdhC-5u87A:
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		4 MET A 698
ASN A 745
VAL A 743
LEU A 719
 None
MJ8  A1601 (-3.5A)
None
None
 1.34A 5xdhA-5u89A:
undetectable
5xdhC-5u89A:
undetectable		 5xdhA-5u89A:
6.18
5xdhC-5u89A:
6.18
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.
5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Homo sapiens) 		no annotation 4 GLN A 102
HIS A 239
ASN A  99
VAL A 245
 None
 1.33A 5xdhA-5vcsA:
undetectable
5xdhC-5vcsA:
undetectable		 5xdhA-5vcsA:
21.35
5xdhC-5vcsA:
21.35
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.
5vj7 FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		PF10418
(DHODB_Fe-S_bind) 		4 GLN B 122
HIS B 152
VAL B 128
LEU B 103
 None
 1.15A 5xdhA-5vj7B:
undetectable
5xdhC-5vj7B:
undetectable		 5xdhA-5vj7B:
17.87
5xdhC-5vj7B:
17.87
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.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		4 GLN A 194
HIS A  30
VAL A  70
LEU A  78
 None
 1.33A 5xdhA-5w15A:
undetectable
5xdhC-5w15A:
undetectable		 5xdhA-5w15A:
19.70
5xdhC-5w15A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7l TSRD

(Streptomyces
laurentii) 		no annotation 4 GLN A 129
MET A  79
VAL A 101
LEU A 103
 IPA  A 203 (-3.7A)
None
None
IPA  A 201 ( 4.8A)
 1.02A 5xdhA-5x7lA:
undetectable
5xdhC-5x7lA:
undetectable		 5xdhA-5x7lA:
22.83
5xdhC-5x7lA:
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		4 GLN A 178
HIS A 185
VAL A 235
LEU A 243
 None
 1.33A 5xdhA-5xgsA:
undetectable
5xdhC-5xgsA:
undetectable		 5xdhA-5xgsA:
11.41
5xdhC-5xgsA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xlm SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		no annotation 4 GLN A 416
ASN A 434
VAL A 542
LEU A 517
 None
 1.30A 5xdhA-5xlmA:
undetectable
5xdhC-5xlmA:
undetectable		 5xdhA-5xlmA:
15.66
5xdhC-5xlmA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 4 HIS A  10
ASN A 116
VAL A  77
LEU A  86
 ZN  A 502 (-3.3A)
None
None
None
 1.24A 5xdhA-5zb8A:
undetectable
5xdhC-5zb8A:
undetectable		 5xdhA-5zb8A:
24.18
5xdhC-5zb8A:
24.18
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.
6b9x HEPATITIS B VIRUS X
INTERACTING PROTEIN
RAGULATOR COMPLEX
PROTEIN LAMTOR4

(Homo sapiens) 		no annotation 4 HIS D  56
ASN E 155
VAL E 168
LEU E 104
 None
 1.12A 5xdhA-6b9xD:
undetectable
5xdhC-6b9xD:
undetectable		 5xdhA-6b9xD:
21.30
5xdhC-6b9xD:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 GLN K 750
HIS K 774
VAL K 752
LEU K 817
 A  O  57 ( 4.9A)
A  O  60 ( 3.3A)
None
None
 1.33A 5xdhA-6d6qK:
undetectable
5xdhC-6d6qK:
undetectable		 5xdhA-6d6qK:
22.45
5xdhC-6d6qK:
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 HIS A 335
ASN A 284
VAL A 211
LEU A 207
 None
 1.29A 5xdhA-6fylA:
undetectable
5xdhC-6fylA:
undetectable		 5xdhA-6fylA:
undetectable
5xdhC-6fylA:
undetectable