SIMILAR PATTERNS OF AMINO ACIDS FOR 3K2H_B_LYAB514

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.
1cen CELLULASE CELC

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ILE A 118
ARG A  46
LEU A  87
ILE A  53
SER A  15
 None
 1.13A 3k2hB-1cenA:
undetectable		 3k2hB-1cenA:
22.70
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
ILE A  51
LEU A  55
ARG A  58
 None
 0.60A 3k2hB-1cz3A:
17.4		 3k2hB-1cz3A:
16.87
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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A 247
ASP A 244
LEU A 240
ILE A 148
LEU A  73
 None
 1.19A 3k2hB-1d2eA:
undetectable		 3k2hB-1d2eA:
21.56
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.76A 3k2hB-1dr6A:
23.6		 3k2hB-1dr6A:
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.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 ILE A  88
ASP A 120
ILE A  70
SER A  71
LEU A  67
 None
 1.18A 3k2hB-1i0aA:
undetectable		 3k2hB-1i0aA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		5 ASP A 101
SER A 168
ILE A  34
SER A  36
LEU A  39
 None
 1.00A 3k2hB-1ij5A:
undetectable		 3k2hB-1ij5A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1md6 INTERLEUKIN 1
FAMILY, MEMBER 5
(DELTA)

(Mus musculus) 		PF00340
(IL1) 		5 ILE A  84
LEU A  79
SER A  42
ILE A  41
LEU A  25
 None
 1.15A 3k2hB-1md6A:
undetectable		 3k2hB-1md6A:
17.00
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  31
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.64A 3k2hB-1u70A:
23.0		 3k2hB-1u70A:
20.78
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
None
 0.52A 3k2hB-1u71A:
23.6		 3k2hB-1u71A:
23.28
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 344
SER A 352
ILE A 351
SER A 360
LEU A 361
 None
 1.15A 3k2hB-1yj8A:
undetectable		 3k2hB-1yj8A:
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.83A 3k2hB-1zdrA:
20.4		 3k2hB-1zdrA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.61A 3k2hB-2blbA:
23.2		 3k2hB-2blbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.70A 3k2hB-2blbA:
23.2		 3k2hB-2blbA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.89A 3k2hB-2h2qA:
17.4		 3k2hB-2h2qA:
39.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ILE A  41
ASP A  48
LEU A  91
ARG A  94
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
 0.55A 3k2hB-2h2qA:
17.4		 3k2hB-2h2qA:
39.70
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.
2hls PROTEIN DISULFIDE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF13192
(Thioredoxin_3) 		5 ILE A 202
PHE A 217
LEU A 218
ILE A 175
LEU A 133
 None
 0.95A 3k2hB-2hlsA:
undetectable		 3k2hB-2hlsA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ihy ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
aureus) 		PF00005
(ABC_tran) 		5 ILE A 165
ARG A  10
LEU A  44
ILE A   3
LEU A   5
 None
 0.91A 3k2hB-2ihyA:
undetectable		 3k2hB-2ihyA:
18.25
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.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 ALA A  13
ARG A  85
LEU A  87
SER A 122
LEU A 124
 None
 1.15A 3k2hB-2ld4A:
undetectable		 3k2hB-2ld4A:
16.41
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 ALA A 391
ARG A 357
LEU A 359
ILE A 456
LEU A 458
 None
SO4  A 710 (-3.7A)
None
None
None
 1.17A 3k2hB-2o8rA:
undetectable		 3k2hB-2o8rA:
21.83
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 ILE A 812
PHE A  66
SER A 810
ILE A 828
LEU A 836
 None
 0.90A 3k2hB-2oajA:
undetectable		 3k2hB-2oajA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.63A 3k2hB-2oipA:
44.1		 3k2hB-2oipA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.65A 3k2hB-2oipA:
44.1		 3k2hB-2oipA:
46.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcl LIPOPROTEIN-RELEASIN
G SYSTEM ATP-BINDING
PROTEIN LOLD

(Aquifex
aeolicus) 		PF00005
(ABC_tran) 		5 ILE A 193
ARG A 153
LEU A 155
ILE A 182
LEU A 128
 None
None
None
EDO  A 235 ( 4.9A)
None
 0.91A 3k2hB-2pclA:
undetectable		 3k2hB-2pclA:
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.
2pd1 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		no annotation 5 ALA A  42
ILE A  70
PHE A  23
LEU A  20
LEU A  82
 None
ACT  A 501 (-3.6A)
None
None
None
 1.12A 3k2hB-2pd1A:
undetectable		 3k2hB-2pd1A:
11.07
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.60A 3k2hB-2qk8A:
21.0		 3k2hB-2qk8A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r1v DJ-1

(Homo sapiens) 		PF01965
(DJ-1_PfpI) 		5 ALA A 104
ILE A 102
LEU A  82
ILE A  91
LEU A  58
 None
 1.15A 3k2hB-2r1vA:
undetectable		 3k2hB-2r1vA:
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.
2rem DISULFIDE
OXIDOREDUCTASE

(Xylella
fastidiosa) 		PF13462
(Thioredoxin_4) 		5 ALA A  82
PHE A 118
LEU A 115
ILE A  99
SER A 104
 None
 1.08A 3k2hB-2remA:
undetectable		 3k2hB-2remA:
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.
2rtx PEPTIDYL-TRNA
HYDROLASE YAEJ

(Escherichia
coli) 		PF00472
(RF-1) 		5 ALA A  93
ILE A   4
ILE A  10
SER A  46
LEU A  15
 None
 1.14A 3k2hB-2rtxA:
undetectable		 3k2hB-2rtxA:
14.59
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ILE A  24
ASP A  31
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.73A 3k2hB-2w3wA:
21.0		 3k2hB-2w3wA:
15.98
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
None
 0.72A 3k2hB-2w9sA:
20.8		 3k2hB-2w9sA:
17.34
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
 TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
 1.07A 3k2hB-2w9sA:
20.8		 3k2hB-2w9sA:
17.34
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ILE A 793
PHE A 852
LEU A 859
ILE A 872
LEU A 888
 None
SO4  A 996 (-4.8A)
None
None
None
 1.18A 3k2hB-2wjvA:
undetectable		 3k2hB-2wjvA:
21.16
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.
2y8f RAN-BINDING PROTEIN
3

(Homo sapiens) 		PF00638
(Ran_BP1) 		5 ILE A 397
ARG A 374
LEU A 360
ILE A 422
LEU A 358
 GOL  A1452 (-4.7A)
CL  A1449 ( 3.9A)
None
None
None
 1.14A 3k2hB-2y8fA:
undetectable		 3k2hB-2y8fA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z67 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Methanococcus
maripaludis) 		PF05889
(SepSecS) 		5 ALA A 308
ILE A 137
SER A 142
SER A 148
TYR A 112
 None
 1.19A 3k2hB-2z67A:
2.7		 3k2hB-2z67A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zam VACUOLAR PROTEIN
SORTING-ASSOCIATING
PROTEIN 4B

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 ILE A 344
PHE A 310
ARG A 311
LEU A 314
SER A 417
 None
 1.16A 3k2hB-2zamA:
undetectable		 3k2hB-2zamA:
21.32
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.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 ILE A  59
PHE A  88
LEU A  85
SER A  69
LEU A  63
 None
 1.15A 3k2hB-3a2lA:
undetectable		 3k2hB-3a2lA:
20.20
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 ILE A 263
PHE A 209
LEU A 211
ILE A 237
SER A 224
 None
 1.13A 3k2hB-3ctzA:
undetectable		 3k2hB-3ctzA:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.66A 3k2hB-3dg8A:
23.7		 3k2hB-3dg8A:
22.53
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.47A 3k2hB-3dg8A:
23.7		 3k2hB-3dg8A:
22.53
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 ALA A 112
PHE A 204
ILE A  88
SER A 234
LEU A 139
 None
 1.07A 3k2hB-3emvA:
undetectable		 3k2hB-3emvA:
19.53
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.
3fhg N-GLYCOSYLASE/DNA
LYASE

(Sulfolobus
solfataricus) 		PF00730
(HhH-GPD) 		5 ALA A 143
ILE A 149
LEU A 193
ILE A 156
LEU A   2
 None
 1.17A 3k2hB-3fhgA:
undetectable		 3k2hB-3fhgA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4j SNF1-LIKE PROTEIN
KINASE SSP2

(Schizosaccharomyces
pombe) 		no annotation 5 ALA B 326
PHE B 318
LEU B 312
SER B  84
LEU B  88
 None
 1.08A 3k2hB-3h4jB:
undetectable		 3k2hB-3h4jB:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.6A)
None
None
None
 0.86A 3k2hB-3i8aX:
20.6		 3k2hB-3i8aX:
16.77
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 1.06A 3k2hB-3i8aX:
20.6		 3k2hB-3i8aX:
16.77
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
SER A  50
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.89A 3k2hB-3ia4A:
21.0		 3k2hB-3ia4A:
15.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ILE A  29
ASP A  37
LEU A  41
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
None
 0.51A 3k2hB-3kjrA:
52.6		 3k2hB-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  29
ILE A  73
SER A  77
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
 1.22A 3k2hB-3kjrA:
52.6		 3k2hB-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ILE A  29
LEU A  41
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
None
 0.85A 3k2hB-3kjrA:
52.6		 3k2hB-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LEU A  41
SER A  72
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 None
NAP  A 512 ( 4.2A)
None
None
None
None
 0.78A 3k2hB-3kjrA:
52.6		 3k2hB-3kjrA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 SER A  72
ILE A  73
SER A  77
LEU A  80
TYR A 129
 NAP  A 512 ( 4.2A)
None
None
None
None
 0.79A 3k2hB-3kjrA:
52.6		 3k2hB-3kjrA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 102
ILE A 121
ILE A  41
SER A  43
LEU A  46
 None
 0.94A 3k2hB-3lgxA:
undetectable		 3k2hB-3lgxA:
22.91
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.
3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Klebsiella
pneumoniae) 		PF08282
(Hydrolase_3) 		5 ILE A  58
LEU A  20
SER A  60
SER A   7
LEU A   9
 None
 1.19A 3k2hB-3pgvA:
2.9		 3k2hB-3pgvA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		5 ILE A 211
ARG A 251
SER A  19
ILE A  23
LEU A 246
 ADP  A 261 (-4.6A)
None
None
None
None
 1.09A 3k2hB-3r9jA:
3.9		 3k2hB-3r9jA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
SER A  89
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
None
None
None
 0.83A 3k2hB-3rg9A:
6.4		 3k2hB-3rg9A:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ILE A  47
ASP A  54
LEU A  97
ARG A 100
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
None
None
 0.43A 3k2hB-3rg9A:
6.4		 3k2hB-3rg9A:
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.
3slg PBGP3 PROTEIN

(Burkholderia
pseudomallei) 		PF01370
(Epimerase) 		5 ALA A 272
LEU A 203
ILE A 181
SER A 196
LEU A 185
 None
 1.15A 3k2hB-3slgA:
undetectable		 3k2hB-3slgA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.80A 3k2hB-3tq9A:
21.1		 3k2hB-3tq9A:
17.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.64A 3k2hB-3um6A:
41.8		 3k2hB-3um6A:
44.73
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
SER A  56
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.55A 3k2hB-3vcoA:
20.4		 3k2hB-3vcoA:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A2109
PHE A2132
SER A2198
ILE A2199
LEU A2219
 None
 1.12A 3k2hB-3vkgA:
undetectable		 3k2hB-3vkgA:
9.85
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ILE A 667
LEU A 684
ILE A 473
SER A 476
LEU A 477
 None
 1.10A 3k2hB-3wfzA:
undetectable		 3k2hB-3wfzA:
22.14
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.
3zet PUTATIVE M22
PEPTIDASE YEAZ

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		5 ALA A  60
ILE A   6
ARG A 104
LEU A 195
ILE A  45
 None
 1.02A 3k2hB-3zetA:
2.3		 3k2hB-3zetA:
17.90
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ALA A 410
LEU A 458
ILE A 513
LEU A 511
ARG A 505
 None
 1.16A 3k2hB-4a2lA:
undetectable		 3k2hB-4a2lA:
20.20
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.
4c6r DISEASE RESISTANCE
PROTEIN RPS4

(Arabidopsis
thaliana) 		PF01582
(TIR) 		5 ALA A  38
ILE A 167
PHE A  31
ARG A  30
ILE A  74
 None
 1.12A 3k2hB-4c6rA:
undetectable		 3k2hB-4c6rA:
18.09
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 ALA A 338
ARG A 429
LEU A 428
ILE A 329
LEU A 314
 None
 1.14A 3k2hB-4f7zA:
undetectable		 3k2hB-4f7zA:
19.01
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
None
 0.70A 3k2hB-4g8zX:
7.2		 3k2hB-4g8zX:
18.26
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.65A 3k2hB-4g8zX:
7.2		 3k2hB-4g8zX:
18.26
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 ALA A 348
PHE A 301
ARG A 300
LEU A 298
LEU A 289
 None
 1.04A 3k2hB-4go4A:
undetectable		 3k2hB-4go4A:
24.74
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
None
 0.89A 3k2hB-4h96A:
6.0		 3k2hB-4h96A:
18.32
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.60A 3k2hB-4h96A:
6.0		 3k2hB-4h96A:
18.32
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
None
None
None
 0.68A 3k2hB-4h98A:
9.9		 3k2hB-4h98A:
18.74
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
 0.53A 3k2hB-4h98A:
9.9		 3k2hB-4h98A:
18.74
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.
4igg CATENIN ALPHA-1

(Homo sapiens) 		PF01044
(Vinculin) 		5 ALA A 320
ARG A 380
LEU A 382
ILE A 312
LEU A 282
 None
 1.11A 3k2hB-4iggA:
undetectable		 3k2hB-4iggA:
19.74
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
SER A  49
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
None
None
None
 0.76A 3k2hB-4m2xA:
4.3		 3k2hB-4m2xA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ILE A  20
ASP A  27
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
None
None
None
 0.57A 3k2hB-4m2xA:
4.3		 3k2hB-4m2xA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.75A 3k2hB-4p68A:
20.8		 3k2hB-4p68A:
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.
4pki GELSOLIN,TROPOMODULI
N-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		5 ALA G1245
LEU G1276
ILE G1302
SER G1304
LEU G1306
 None
 1.16A 3k2hB-4pkiG:
2.2		 3k2hB-4pkiG:
20.70
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		6 ALA A 492
LEU A 472
SER A 448
ILE A 449
SER A 406
LEU A 402
 None
 1.26A 3k2hB-4r7pA:
undetectable		 3k2hB-4r7pA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 ILE P 218
SER P  41
SER P  35
LEU P 125
TYR P 262
 None
 1.15A 3k2hB-4s2tP:
undetectable		 3k2hB-4s2tP:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 ALA A  29
LEU A  32
ILE A  15
SER A  11
LEU A  38
 None
 1.13A 3k2hB-4s3kA:
undetectable		 3k2hB-4s3kA:
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.
4wq5 TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAB

(Escherichia
coli) 		PF00814
(Peptidase_M22) 		5 ALA C  60
ILE C   6
ARG C 104
LEU C 195
ILE C  45
 None
 1.07A 3k2hB-4wq5C:
undetectable		 3k2hB-4wq5C:
15.91
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.
5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		5 PHE A 187
ARG A 188
SER A 310
ILE A 316
LEU A 318
 None
 1.18A 3k2hB-5bo6A:
undetectable		 3k2hB-5bo6A:
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.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 252
ARG A 325
SER A  86
LEU A  79
ARG A  75
 None
 1.15A 3k2hB-5bwdA:
undetectable		 3k2hB-5bwdA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.78A 3k2hB-5dxvA:
4.7		 3k2hB-5dxvA:
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
LEU A  55
ARG A  58
TYR A 101
 None
 1.17A 3k2hB-5fdaA:
4.8		 3k2hB-5fdaA:
16.70
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.
5ft3 GLUTATHIONE
S-TRANSFERASE
EPSILON 2

(Aedes aegypti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 ALA A  24
ILE A 157
ARG A  16
ILE A  71
LEU A   6
 None
 1.13A 3k2hB-5ft3A:
undetectable		 3k2hB-5ft3A:
16.96
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 ILE A 201
ARG A 192
LEU A 194
ILE A 295
LEU A 298
 None
 1.10A 3k2hB-5h9dA:
undetectable		 3k2hB-5h9dA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ARG A  37
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
None
None
None
None
 1.17A 3k2hB-5t0lA:
45.8		 3k2hB-5t0lA:
42.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
ASP A  31
PHE A  32
SER A  86
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.7A)
NDP  A 702 (-3.8A)
None
None
None
 0.72A 3k2hB-5t0lA:
45.8		 3k2hB-5t0lA:
42.73
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.
5tva 6-CARBOXYHEXANOATE--
COA LIGASE

(Aquifex
aeolicus) 		PF03744
(BioW) 		5 ALA A 177
ILE A 197
LEU A 179
ILE A 202
LEU A 205
 None
 1.15A 3k2hB-5tvaA:
undetectable		 3k2hB-5tvaA:
18.82
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.
5umf RIBULOSE-PHOSPHATE
3-EPIMERASE

(Neisseria
gonorrhoeae) 		PF00834
(Ribul_P_3_epim) 		5 ALA A  28
ILE A 205
ARG A   5
ILE A 188
LEU A 222
 None
 1.07A 3k2hB-5umfA:
undetectable		 3k2hB-5umfA:
18.95
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.
5weg UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Saccharum
hybrid cultivar) 		no annotation 5 ALA A 463
LEU A 443
SER A 419
ILE A 420
LEU A 373
 None
 1.16A 3k2hB-5wegA:
undetectable		 3k2hB-5wegA:
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 ILE A 199
ARG A 159
LEU A 161
ILE A 188
LEU A 134
 None
 0.85A 3k2hB-5ws4A:
undetectable		 3k2hB-5ws4A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 ALA A 535
ILE A 599
LEU A 570
ILE A 486
LEU A 479
 None
 1.14A 3k2hB-5wx1A:
undetectable		 3k2hB-5wx1A:
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.
6avh GH3.15 ACYL ACID
AMIDO SYNTHETASE

(Arabidopsis
thaliana) 		no annotation 5 ASP A 443
LEU A 511
SER A 467
ILE A 480
LEU A 528
 None
 1.04A 3k2hB-6avhA:
undetectable		 3k2hB-6avhA:
10.20
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 5 ALA A 484
ILE A 263
ARG A 364
ILE A 290
LEU A 286
 None
 1.08A 3k2hB-6b3bA:
2.5		 3k2hB-6b3bA:
22.56
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ILE A  21
ASP A  28
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.57A 3k2hB-6cxmA:
10.7		 3k2hB-6cxmA:
7.21
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
None
 0.75A 3k2hB-6e4eA:
20.7		 3k2hB-6e4eA:
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.
6fdd -

(-) 		no annotation 5 ASP A 493
PHE A 492
ARG A 491
LEU A 489
ILE A 483
 None
 0.94A 3k2hB-6fddA:
undetectable		 3k2hB-6fddA:
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 ALA A 345
ASP A 242
ILE A  82
SER A  86
LEU A  88
 None
 1.04A 3k2hB-6g43A:
undetectable		 3k2hB-6g43A:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		3 ARG A 364
THR A 349
THR A 275
 None
 0.71A 3k2hB-1fehA:
undetectable		 3k2hB-1fehA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ARG A 156
THR A 854
THR A 529
 None
2MD  A1001 (-3.3A)
None
 0.71A 3k2hB-1h0hA:
undetectable		 3k2hB-1h0hA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 ARG A  26
THR A 258
THR A 350
 None
 0.79A 3k2hB-1h17A:
undetectable		 3k2hB-1h17A:
21.99
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		3 ARG A 183
THR A  81
THR A  69
 CL  A 501 (-4.0A)
None
None
 0.74A 3k2hB-1jaeA:
undetectable		 3k2hB-1jaeA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jwe PROTEIN (DNAB
HELICASE)

(Escherichia
coli) 		PF00772
(DnaB) 		3 ARG A  53
THR A  61
THR A 112
 None
 0.73A 3k2hB-1jweA:
undetectable		 3k2hB-1jweA:
12.55
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.
1k1b B-CELL LYMPHOMA
3-ENCODED PROTEIN

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		3 ARG A 181
THR A 166
THR A 224
 None
 0.81A 3k2hB-1k1bA:
undetectable		 3k2hB-1k1bA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		3 ARG A 425
THR A 505
THR A 358
 None
 0.79A 3k2hB-1kspA:
undetectable		 3k2hB-1kspA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l0q SURFACE LAYER
PROTEIN

(Methanosarcina
mazei) 		PF00801
(PKD)
PF10282
(Lactonase) 		3 ARG A 364
THR A 334
THR A  27
 None
 0.80A 3k2hB-1l0qA:
undetectable		 3k2hB-1l0qA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ARG A 197
THR A 181
THR A 271
 SO4  A 902 (-4.2A)
None
None
 0.81A 3k2hB-1o99A:
0.0		 3k2hB-1o99A:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pmp P2 MYELIN PROTEIN

(Bos taurus) 		PF00061
(Lipocalin) 		3 ARG A  30
THR A  60
THR A 102
 None
 0.69A 3k2hB-1pmpA:
undetectable		 3k2hB-1pmpA:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1prt PERTUSSIS TOXIN
(SUBUNIT S1)

(Bordetella
pertussis) 		PF02917
(Pertussis_S1) 		3 ARG A 143
THR A 156
THR A  60
 None
 0.81A 3k2hB-1prtA:
undetectable		 3k2hB-1prtA:
20.32
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		3 ARG A1026
THR A1258
THR A1350
 None
 0.69A 3k2hB-1qhmA:
undetectable		 3k2hB-1qhmA:
23.77
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		3 ARG A 369
THR A 124
THR A  97
 P3G  A 701 (-2.5A)
None
PLP  A1227 (-3.8A)
 0.76A 3k2hB-1qz9A:
undetectable		 3k2hB-1qz9A:
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT

(Pseudomonas
putida) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		3 ARG A 101
THR B 513
THR A 145
 None
MCN  B4921 (-2.6A)
FES  A4907 ( 4.7A)
 0.80A 3k2hB-1t3qA:
undetectable		 3k2hB-1t3qA:
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.
1v5w MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		3 ARG A 166
THR A 142
THR A 267
 None
 0.56A 3k2hB-1v5wA:
2.6		 3k2hB-1v5wA:
22.64
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.
1v6y ENDO-1,4-BETA-D-XYLA
NASE AND
ENDO-1,4-BETA-XYLANA
SE B

(Cellulomonas
fimi;
Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10) 		3 ARG A 218
THR A 234
THR A 182
 None
 0.65A 3k2hB-1v6yA:
undetectable		 3k2hB-1v6yA:
20.43
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.
1vmo VITELLINE MEMBRANE
OUTER LAYER PROTEIN
I

(Gallus gallus) 		PF03762
(VOMI) 		3 ARG A  90
THR A 140
THR A  74
 None
 0.58A 3k2hB-1vmoA:
undetectable		 3k2hB-1vmoA:
13.11
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 ARG A 686
THR A 717
THR A 512
 None
 0.72A 3k2hB-1yr2A:
undetectable		 3k2hB-1yr2A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		3 ARG A 505
THR A 645
THR A 394
 None
 0.73A 3k2hB-1z7eA:
2.1		 3k2hB-1z7eA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cv6 SEED STORAGE PROTEIN

(Vigna radiata) 		PF00190
(Cupin_1) 		3 ARG A  29
THR A 148
THR A  65
 None
 0.70A 3k2hB-2cv6A:
undetectable		 3k2hB-2cv6A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e1m L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase) 		3 ARG A 144
THR A 132
THR A 100
 None
 0.61A 3k2hB-2e1mA:
undetectable		 3k2hB-2e1mA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 ARG A 198
THR A 301
THR A  81
 None
 0.69A 3k2hB-2ebdA:
undetectable		 3k2hB-2ebdA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ARG A  53
THR A  80
THR A 178
 None
NAP  A 523 (-3.5A)
None
 0.67A 3k2hB-2h2qA:
16.4		 3k2hB-2h2qA:
39.70
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.
2hiv THERMOSTABLE DNA
LIGASE

(Sulfolobus
solfataricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 ARG A 561
THR A 575
THR A 537
 None
 0.66A 3k2hB-2hivA:
undetectable		 3k2hB-2hivA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		3 ARG A 367
THR A 491
THR A 453
 None
 0.71A 3k2hB-2j42A:
undetectable		 3k2hB-2j42A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oaf THIOESTERASE
SUPERFAMILY

(Jannaschia sp.
CCS1) 		PF03061
(4HBT) 		3 ARG A  33
THR A  63
THR A  86
 PO4  A 144 (-4.2A)
None
None
 0.76A 3k2hB-2oafA:
undetectable		 3k2hB-2oafA:
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		3 ARG A 223
THR A 188
THR A 332
 None
 0.80A 3k2hB-2qy1A:
undetectable		 3k2hB-2qy1A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		3 ARG A 306
THR A 298
THR A 271
 None
EDO  A1955 (-3.9A)
None
 0.80A 3k2hB-2r4jA:
undetectable		 3k2hB-2r4jA:
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.
2r55 STAR-RELATED LIPID
TRANSFER PROTEIN 5

(Homo sapiens) 		PF01852
(START) 		3 ARG A 199
THR A 101
THR A 174
 None
 0.77A 3k2hB-2r55A:
undetectable		 3k2hB-2r55A:
16.37
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.
2r6z UPF0341 PROTEIN IN
RSP 3' REGION

(Neisseria
gonorrhoeae) 		PF04445
(SAM_MT) 		3 ARG A 211
THR A  91
THR A 237
 None
 0.79A 3k2hB-2r6zA:
1.9		 3k2hB-2r6zA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		3 ARG A 170
THR A 298
THR A 431
 None
FAD  A 609 (-3.9A)
FAD  A 609 (-4.3A)
 0.69A 3k2hB-2rghA:
undetectable		 3k2hB-2rghA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		3 ARG A 253
THR A 424
THR A  56
 None
None
FAD  A 609 (-3.9A)
 0.76A 3k2hB-2rghA:
undetectable		 3k2hB-2rghA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		3 ARG A 195
THR A 226
THR A 204
 None
 0.72A 3k2hB-2yrfA:
3.1		 3k2hB-2yrfA:
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		3 ARG A 447
THR A 452
THR A 405
 None
 0.51A 3k2hB-2z7xA:
undetectable		 3k2hB-2z7xA:
21.99
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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		3 ARG A 116
THR A 184
THR A  52
 None
 0.59A 3k2hB-3at7A:
undetectable		 3k2hB-3at7A:
19.14
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		3 ARG A 581
THR A 568
THR A 908
 None
 0.73A 3k2hB-3bg9A:
undetectable		 3k2hB-3bg9A:
21.34
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		3 ARG A 311
THR A  61
THR A 295
 None
FAD  A 609 (-3.3A)
None
 0.60A 3k2hB-3da1A:
undetectable		 3k2hB-3da1A:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		3 ARG A  91
THR A 333
THR A  79
 None
 0.64A 3k2hB-3gyxA:
undetectable		 3k2hB-3gyxA:
21.01
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.
3hmz FLAVIN REDUCTASE
DOMAIN PROTEIN,
FMN-BINDING

(Shewanella
baltica) 		PF01613
(Flavin_Reduct) 		3 ARG A  94
THR A  67
THR A  30
 EDO  A 201 (-3.7A)
FMN  A 500 ( 4.2A)
FMN  A 500 ( 4.5A)
 0.54A 3k2hB-3hmzA:
undetectable		 3k2hB-3hmzA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmz FLAVIN REDUCTASE
DOMAIN PROTEIN,
FMN-BINDING

(Shewanella
baltica) 		PF01613
(Flavin_Reduct) 		3 ARG A  94
THR A  69
THR A  30
 EDO  A 201 (-3.7A)
FMN  A 500 (-3.6A)
FMN  A 500 ( 4.5A)
 0.59A 3k2hB-3hmzA:
undetectable		 3k2hB-3hmzA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19
PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
no annotation 		3 ARG c 593
THR c 528
THR A1453
 None
 0.65A 3k2hB-3jb9c:
undetectable		 3k2hB-3jb9c:
20.65
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.
3jrq PUTATIVE
UNCHARACTERIZED
PROTEIN AT5G46790

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		3 ARG B 155
THR B 133
THR B 205
 None
 0.74A 3k2hB-3jrqB:
undetectable		 3k2hB-3jrqB:
17.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ARG A  42
THR A  69
THR A 144
 None
NAP  A 512 (-3.6A)
None
 0.61A 3k2hB-3kjrA:
52.6		 3k2hB-3kjrA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		3 ARG A 613
THR A 663
THR A 738
 None
 0.69A 3k2hB-3o8oA:
undetectable		 3k2hB-3o8oA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		3 ARG A 618
THR A 668
THR A 743
 SO4  A1001 (-3.7A)
None
None
 0.69A 3k2hB-3opyA:
undetectable		 3k2hB-3opyA:
19.49
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		3 ARG A  62
THR A  97
THR A 141
 None
 0.78A 3k2hB-3pl2A:
undetectable		 3k2hB-3pl2A:
22.72
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.
3qyn TUMOR PROTEIN 63

(Homo sapiens) 		PF00870
(P53) 		3 ARG A 227
THR A 262
THR A 152
 None
 0.81A 3k2hB-3qynA:
undetectable		 3k2hB-3qynA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3snh DYNAMIN-1

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		3 ARG A  59
THR A 141
THR A 105
 None
 0.81A 3k2hB-3snhA:
undetectable		 3k2hB-3snhA:
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.
3teo CARBON DISULFIDE
HYDROLASE

(Acidianus sp.
A1-3) 		PF00484
(Pro_CA) 		3 ARG A  57
THR A  75
THR A  64
 None
 0.76A 3k2hB-3teoA:
undetectable		 3k2hB-3teoA:
18.27
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.
3zcw KINESIN-LIKE PROTEIN
KIF11

(Homo sapiens) 		PF00225
(Kinesin) 		3 ARG A 234
THR A 349
THR A 112
 None
None
MG  A1365 ( 3.0A)
 0.78A 3k2hB-3zcwA:
undetectable		 3k2hB-3zcwA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		3 ARG A1150
THR A1183
THR A1038
 None
None
MPD  A2228 ( 3.9A)
 0.72A 3k2hB-3zhrA:
undetectable		 3k2hB-3zhrA:
19.79
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.
4ak9 CPFTSY

(Physcomitrella
patens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		3 ARG A 275
THR A 196
THR A 312
 None
 0.70A 3k2hB-4ak9A:
3.2		 3k2hB-4ak9A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bg2 PATF

(Prochloron
didemni) 		no annotation 3 ARG A  12
THR A  22
THR A 278
 None
 0.51A 3k2hB-4bg2A:
undetectable		 3k2hB-4bg2A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgo EFEM M75 PEPTIDASE

(Pseudomonas
syringae) 		PF09375
(Peptidase_M75) 		3 ARG A 127
THR A 195
THR A  63
 None
 0.53A 3k2hB-4bgoA:
undetectable		 3k2hB-4bgoA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 ARG A 386
THR A 362
THR A 372
 None
 0.61A 3k2hB-4bziA:
undetectable		 3k2hB-4bziA:
22.01
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		3 ARG A 595
THR A 647
THR A 468
 None
 0.64A 3k2hB-4c51A:
undetectable		 3k2hB-4c51A:
21.59
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.
4cyb PUTATIVE DNA
PROTECTION PROTEIN

(Streptomyces
coelicolor) 		PF00210
(Ferritin) 		3 ARG A 179
THR A 161
THR A 101
 None
 0.80A 3k2hB-4cybA:
undetectable		 3k2hB-4cybA:
14.68
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.
4g2r ACCD6,
CARBOXYLTRANSFERASE
BETA-SUBUNIT OF
ACYL-COA CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		3 ARG A 355
THR A 450
THR A 363
 None
 0.60A 3k2hB-4g2rA:
undetectable		 3k2hB-4g2rA:
22.00
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.
4hhu OR280

(synthetic
construct) 		no annotation 3 ARG A 136
THR A 118
THR A  37
 None
 0.74A 3k2hB-4hhuA:
undetectable		 3k2hB-4hhuA:
16.49
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.
4io6 AVGLUR1 LIGAND
BINDING DOMAIN

(Adineta vaga) 		PF00497
(SBP_bac_3) 		3 ARG A  11
THR A  35
THR A  65
 None
 0.70A 3k2hB-4io6A:
undetectable		 3k2hB-4io6A:
19.07
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.
4j0x RIBOSOMAL
RNA-PROCESSING
PROTEIN 9

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 ARG A 151
THR A 522
THR A 197
 None
 0.79A 3k2hB-4j0xA:
undetectable		 3k2hB-4j0xA:
21.64
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.
4lds BICYCLOMYCIN
RESISTANCE PROTEIN
TCAB

(Staphylococcus
epidermidis) 		PF00083
(Sugar_tr) 		3 ARG A 367
THR A 373
THR A 126
 None
 0.67A 3k2hB-4ldsA:
undetectable		 3k2hB-4ldsA:
22.98
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		3 ARG A  32
THR A  46
THR A 113
 None
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
 0.61A 3k2hB-4m2xA:
20.3		 3k2hB-4m2xA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlz PERIPLASMIC BINDING
PROTEIN

(Jonesia
denitrificans) 		PF01497
(Peripla_BP_2) 		3 ARG A 185
THR A  87
THR A 155
 None
 0.63A 3k2hB-4mlzA:
undetectable		 3k2hB-4mlzA:
21.95
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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		3 ARG A 258
THR A  79
THR A 225
 None
 0.71A 3k2hB-4nu2A:
undetectable		 3k2hB-4nu2A:
17.61
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.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		3 ARG A 238
THR A  52
THR A 205
 None
 0.73A 3k2hB-4nu3A:
undetectable		 3k2hB-4nu3A:
18.38
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 ARG A 106
THR A  98
THR A 119
 None
 0.68A 3k2hB-4om9A:
undetectable		 3k2hB-4om9A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4owt INTEGRATOR COMPLEX
SUBUNIT 3

(Homo sapiens) 		PF10189
(Ints3) 		3 ARG A  54
THR A  63
THR A  99
 None
 0.70A 3k2hB-4owtA:
undetectable		 3k2hB-4owtA:
22.20
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.
4ozu CORONIN

(Toxoplasma
gondii) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		3 ARG A  90
THR A  95
THR A 115
 ACT  A 402 (-4.7A)
None
None
 0.68A 3k2hB-4ozuA:
undetectable		 3k2hB-4ozuA:
22.46
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		3 ARG A 337
THR A 342
THR A 325
 None
 0.79A 3k2hB-4qc8A:
undetectable		 3k2hB-4qc8A:
19.55
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.
4u6d CONSERVED
HYPOTHETICAL
PERIPLASMIC PROTEIN

(Zobellia
galactanivorans) 		no annotation 3 ARG A 370
THR A 356
THR A 287
 EDO  A 505 (-2.6A)
PEG  A 503 (-2.8A)
None
 0.77A 3k2hB-4u6dA:
undetectable		 3k2hB-4u6dA:
22.91
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.
4uuo CYTOSOLIC MALATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ARG A 160
THR A 194
THR A 315
 None
 0.80A 3k2hB-4uuoA:
undetectable		 3k2hB-4uuoA:
20.58
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
no annotation 		3 ARG D 320
THR A 380
THR D 244
 None
FDA  A 501 (-3.3A)
None
 0.58A 3k2hB-4x28D:
undetectable		 3k2hB-4x28D:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 ARG A 483
THR A 751
THR A 531
 None
 0.50A 3k2hB-4xhjA:
undetectable		 3k2hB-4xhjA:
20.86
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.
4ybr NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		3 ARG A  70
THR A  61
THR A 105
 None
 0.78A 3k2hB-4ybrA:
1.8		 3k2hB-4ybrA:
18.06
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		3 ARG A 871
THR A 946
THR A 620
 None
 0.78A 3k2hB-5a31A:
undetectable		 3k2hB-5a31A:
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		3 ARG A 153
THR A  74
THR A 133
 None
 0.68A 3k2hB-5d6nA:
undetectable		 3k2hB-5d6nA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		3 ARG A 406
THR A 360
THR A 380
 None
EDO  A 602 ( 4.7A)
None
 0.61A 3k2hB-5dgoA:
undetectable		 3k2hB-5dgoA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5du3 PLASMA PROTEASE C1
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		3 ARG A 227
THR A 409
THR A 263
 None
 0.79A 3k2hB-5du3A:
undetectable		 3k2hB-5du3A:
22.30
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.
5eod COAGULATION FACTOR
XI

(Homo sapiens) 		PF00024
(PAN_1)
PF00089
(Trypsin) 		3 ARG A 378
THR A 440
THR A 513
 None
 0.69A 3k2hB-5eodA:
undetectable		 3k2hB-5eodA:
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 ARG A 247
THR A 236
THR A 268
 None
 0.42A 3k2hB-5f7sA:
undetectable		 3k2hB-5f7sA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1c DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51)
PF14520
(HHH_5) 		3 ARG A 167
THR A 143
THR A 266
 None
 0.80A 3k2hB-5h1cA:
2.5		 3k2hB-5h1cA:
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 ARG A  17
THR A  81
THR A 208
 None
None
A  C   1 ( 4.4A)
 0.75A 3k2hB-5habA:
undetectable		 3k2hB-5habA:
20.82
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		3 ARG A 142
THR A 194
THR A 210
 None
 0.78A 3k2hB-5iq0A:
undetectable		 3k2hB-5iq0A:
22.66
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 3 ARG A 307
THR A 352
THR A 246
 None
 0.72A 3k2hB-5iuwA:
undetectable		 3k2hB-5iuwA:
20.67
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.
5j6z ANASTELLIN
FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3)
no annotation 		3 ARG A  26
THR B 103
THR B  97
 None
 0.68A 3k2hB-5j6zA:
undetectable		 3k2hB-5j6zA:
4.57
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 ARG A 673
THR A 876
THR A 834
 None
 0.71A 3k2hB-5kf7A:
undetectable		 3k2hB-5kf7A:
16.96
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		3 ARG A 602
THR A 654
THR A 476
 None
 0.57A 3k2hB-5kqiA:
undetectable		 3k2hB-5kqiA:
20.27
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.
5le4 DD_D12_11_D12

(synthetic
construct) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		3 ARG A 236
THR A 247
THR A 206
 None
 0.80A 3k2hB-5le4A:
undetectable		 3k2hB-5le4A:
22.92
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		3 ARG A 132
THR A 115
THR A 168
 None
None
AKG  A 302 (-3.0A)
 0.79A 3k2hB-5m0tA:
undetectable		 3k2hB-5m0tA:
19.96
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.
5o84 GLUTATHIONE
S-TRANSFERASE U23

(Arabidopsis
thaliana) 		no annotation 3 ARG A  96
THR A 106
THR A  19
 None
 0.70A 3k2hB-5o84A:
undetectable		 3k2hB-5o84A:
17.49
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 3 ARG B 185
THR B 554
THR B 498
 None
 0.80A 3k2hB-5oarB:
undetectable		 3k2hB-5oarB:
10.32
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.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 ARG D 556
THR D 985
THR D1262
 None
 0.79A 3k2hB-5uheD:
undetectable		 3k2hB-5uheD:
17.11
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.
5wu3 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF03828
(PAP_assoc) 		3 ARG A 420
THR A 556
THR A 844
 None
 0.77A 3k2hB-5wu3A:
undetectable		 3k2hB-5wu3A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 ARG B 391
THR B 491
THR B 510
 None
 0.74A 3k2hB-5xogB:
undetectable		 3k2hB-5xogB:
17.30
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 3 ARG A 335
THR A 387
THR A 224
 None
 0.75A 3k2hB-5xwwA:
undetectable		 3k2hB-5xwwA:
9.74
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.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 3 ARG A  68
THR A  78
THR A 109
 None
 0.64A 3k2hB-5yu1A:
2.0		 3k2hB-5yu1A:
9.98
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 3 ARG A 328
THR A 249
THR A 162
 None
 0.76A 3k2hB-6bm8A:
undetectable		 3k2hB-6bm8A:
9.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 3 ARG B  20
THR B  72
THR C  42
 None
 0.54A 3k2hB-6cfwB:
undetectable		 3k2hB-6cfwB:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gne -

(-) 		no annotation 3 ARG A 431
THR A 349
THR A 331
 None
 0.41A 3k2hB-6gneA:
1.7		 3k2hB-6gneA:
undetectable