SIMILAR PATTERNS OF AMINO ACIDS FOR 3K2H_B_LYAB514_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.
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