SIMILAR PATTERNS OF AMINO ACIDS FOR 4GH8_B_MTXB201

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
SER A  59
ILE A  60
PRO A  61
ASN A  64
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
None
None
None
 1.03A 4gh8B-1dr6A:
21.6		 4gh8B-1dr6A:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.62A 4gh8B-1dr6A:
21.6		 4gh8B-1dr6A:
36.65
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 ASP A  36
LEU A  37
LYS A  41
SER A  58
PRO A  60
ARG A  66
 None
None
None
NDP  A 194 ( 3.9A)
None
None
 1.07A 4gh8B-1juvA:
18.4		 4gh8B-1juvA:
26.83
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 ALA A 193
LEU A 196
SER A 136
ILE A 105
ASN A  73
 None
 1.18A 4gh8B-1kcxA:
undetectable		 4gh8B-1kcxA:
15.97
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.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		5 ILE A  53
ALA A  71
LEU A  20
PRO A  77
ARG A  51
 None
 1.19A 4gh8B-1ktnA:
undetectable		 4gh8B-1ktnA:
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.
1l5x SURVIVAL PROTEIN E

(Pyrobaculum
aerophilum) 		PF01975
(SurE) 		5 ILE A 168
ALA A 122
LEU A 239
SER A 106
ILE A 103
 None
 1.08A 4gh8B-1l5xA:
undetectable		 4gh8B-1l5xA:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
ASN A  64
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 (-3.1A)
None
 0.80A 4gh8B-1u70A:
21.3		 4gh8B-1u70A:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
ILE A  60
PRO A  61
ASN A  64
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
 0.60A 4gh8B-1u71A:
21.8		 4gh8B-1u71A:
35.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
 0.32A 4gh8B-1u71A:
21.8		 4gh8B-1u71A:
35.83
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.
1yli PUTATIVE ACYL-COA
THIOESTER HYDROLASE
HI0827

(Haemophilus
influenzae) 		PF03061
(4HBT) 		5 ILE A  95
ALA A  48
ILE A 134
PRO A 135
ASN A 139
 None
 1.25A 4gh8B-1yliA:
undetectable		 4gh8B-1yliA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
 0.69A 4gh8B-1zdrA:
24.2		 4gh8B-1zdrA:
39.16
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.
2an1 PUTATIVE KINASE

(Salmonella
enterica) 		PF01513
(NAD_kinase) 		5 ILE A 223
ALA A 205
LEU A 129
SER A 191
ILE A 180
 ILE  A 223 ( 0.7A)
ALA  A 205 ( 0.0A)
LEU  A 129 ( 0.6A)
SER  A 191 ( 0.0A)
ILE  A 180 ( 0.7A)
 1.30A 4gh8B-2an1A:
undetectable		 4gh8B-2an1A:
20.49
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
PRO A 122
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-2.7A)
None
 0.64A 4gh8B-2blbA:
21.1		 4gh8B-2blbA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
PRO A  85
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.72A 4gh8B-2h2qA:
20.5		 4gh8B-2h2qA:
18.79
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.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 ILE A 149
ALA A 376
ILE A 133
PRO A 134
ASN A 131
 None
 1.35A 4gh8B-2ha9A:
undetectable		 4gh8B-2ha9A:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hsm GLUTAMYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A  84
ALA A  39
SER A  21
PRO A  20
ASN A  49
 None
 1.28A 4gh8B-2hsmA:
undetectable		 4gh8B-2hsmA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		5 ILE A 125
ALA A 117
MET A  99
LEU A 146
ILE A  26
 None
 1.27A 4gh8B-2is8A:
undetectable		 4gh8B-2is8A:
20.99
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.
2iuc ALKALINE PHOSPHATASE

(Antarctic
bacterium TAB5) 		PF00245
(Alk_phosphatase) 		5 ILE B 102
ALA B 100
ASP B  83
ILE B  95
ASN B 361
 None
 1.36A 4gh8B-2iucB:
2.5		 4gh8B-2iucB:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
LEU A  33
SER A  61
ILE A  62
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.1A)
None
 0.46A 4gh8B-2oipA:
21.1		 4gh8B-2oipA:
16.46
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 443
ALA A 399
LEU A 555
ILE A 531
PRO A 528
 None
 1.17A 4gh8B-2panA:
undetectable		 4gh8B-2panA:
14.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
LYS A  33
ILE A  51
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 2.8A)
None
 0.56A 4gh8B-2qk8A:
24.6		 4gh8B-2qk8A:
39.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 ILE A 723
ASP A 736
LEU A 738
SER A 781
ILE A 780
 None
 1.28A 4gh8B-2qmaA:
undetectable		 4gh8B-2qmaA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rif CONSERVED PROTEIN
WITH 2 CBS DOMAINS

(Pyrobaculum
aerophilum) 		PF00571
(CBS) 		5 ILE A 116
LEU A  35
ILE A  78
PRO A  77
ASN A  75
 None
AMP  A 301 ( 4.6A)
AMP  A 301 (-3.6A)
None
AMP  A 301 ( 3.8A)
 1.25A 4gh8B-2rifA:
undetectable		 4gh8B-2rifA:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ALA A  11
ASP A  31
LEU A  32
SER A  53
PRO A  55
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 3.7A)
None
 0.61A 4gh8B-2w3wA:
25.4		 4gh8B-2w3wA:
35.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-4.4A)
None
None
 0.62A 4gh8B-2w9sA:
24.8		 4gh8B-2w9sA:
37.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
 0.68A 4gh8B-2w9sA:
24.8		 4gh8B-2w9sA:
37.20
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.
2y2c 1,6-ANHYDRO-N-ACETYL
MURAMYL-L-ALANINE
AMIDASE AMPD

(Citrobacter
freundii) 		PF01510
(Amidase_2) 		5 ILE A 113
ALA A  74
SER A 100
ILE A 157
ASN A 156
 None
 1.07A 4gh8B-2y2cA:
undetectable		 4gh8B-2y2cA:
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 ILE A 740
ALA A 702
MET A 686
LEU A 726
ILE A 905
 None
 1.23A 4gh8B-3bg9A:
undetectable		 4gh8B-3bg9A:
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		5 ILE A  57
ALA A  67
LEU A 416
LYS A 365
PRO A 169
 None
 1.39A 4gh8B-3brzA:
undetectable		 4gh8B-3brzA:
15.07
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  27
SER A  48
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 2.9A)
 0.67A 4gh8B-3dfrA:
23.8		 4gh8B-3dfrA:
29.94
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  27
SER A  48
PRO A  50
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
 0.71A 4gh8B-3dfrA:
23.8		 4gh8B-3dfrA:
29.94
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
ASP A  54
SER A 111
ILE A 112
PRO A 113
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
None
None
NDP  A 610 ( 4.9A)
 0.50A 4gh8B-3dg8A:
21.4		 4gh8B-3dg8A:
22.34
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 ALA A 231
SER A 206
ILE A 178
PRO A 175
ASN A 173
 None
 1.29A 4gh8B-3egjA:
undetectable		 4gh8B-3egjA:
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.
3ejn SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		5 ILE A 364
ASP A 268
LEU A 417
ILE A 412
PRO A 437
 None
 1.37A 4gh8B-3ejnA:
undetectable		 4gh8B-3ejnA:
15.67
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ILE A 533
ALA A 493
LEU A 484
ILE A 540
ASN A 542
 None
 1.05A 4gh8B-3fawA:
undetectable		 4gh8B-3fawA:
10.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
LEU X  28
ILE X  50
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
 0.46A 4gh8B-3i8aX:
24.7		 4gh8B-3i8aX:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
LYS X  32
SER X  49
ILE X  50
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
 0.86A 4gh8B-3i8aX:
24.7		 4gh8B-3i8aX:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
MET A  21
LEU A  29
LYS A  33
SER A  50
ILE A  51
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-2.9A)
None
 0.64A 4gh8B-3ia4A:
27.8		 4gh8B-3ia4A:
54.22
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		5 ALA A  49
SER A 250
ILE A 260
PRO A 262
ASN A 227
 None
 1.08A 4gh8B-3ivuA:
undetectable		 4gh8B-3ivuA:
17.26
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.
3iwh RHODANESE-LIKE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF00581
(Rhodanese) 		5 ILE A   4
LEU A  13
ILE A  35
PRO A  36
ASN A  37
 None
 1.25A 4gh8B-3iwhA:
undetectable		 4gh8B-3iwhA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
LEU A  31
LYS A  35
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 (-2.9A)
 0.30A 4gh8B-3ix9A:
24.3		 4gh8B-3ix9A:
34.55
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.
3js8 CHOLESTEROL OXIDASE

(Chromobacterium
sp. DS-1) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 ILE A 141
ALA A 200
LEU A 540
ILE A 500
PRO A 501
 FAD  A 541 (-4.5A)
None
None
None
None
 1.29A 4gh8B-3js8A:
undetectable		 4gh8B-3js8A:
14.26
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.
3kh1 PREDICTED
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Magnetospirillum
magnetotacticum) 		PF13023
(HD_3) 		5 ILE A  47
ALA A 138
LEU A 145
ILE A  86
TYR A 125
 None
 1.24A 4gh8B-3kh1A:
undetectable		 4gh8B-3kh1A:
18.59
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ILE A  73
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.65A 4gh8B-3kjrA:
21.8		 4gh8B-3kjrA:
17.12
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 SER A  72
ILE A  73
PRO A  74
ARG A  83
TYR A 129
 NAP  A 512 ( 4.2A)
None
None
None
None
 0.85A 4gh8B-3kjrA:
21.8		 4gh8B-3kjrA:
17.12
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 ALA A 263
LEU A  12
LYS A  16
SER A 293
ILE A 327
 None
 1.20A 4gh8B-3l0zA:
undetectable		 4gh8B-3l0zA:
19.41
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.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ILE A 297
ALA A 599
LEU A 636
ILE A 289
ASN A 288
 None
 1.38A 4gh8B-3lfuA:
undetectable		 4gh8B-3lfuA:
14.06
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.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		5 ILE A  29
ASP A  68
LEU A  67
ILE A  52
PRO A  53
 None
 1.19A 4gh8B-3m2tA:
undetectable		 4gh8B-3m2tA:
21.29
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.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 320
ASP A 244
LEU A 243
ILE A 372
ARG A 379
 None
 1.31A 4gh8B-3nf4A:
undetectable		 4gh8B-3nf4A:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
SER A  89
PRO A  91
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
None
None
 0.43A 4gh8B-3rg9A:
20.3		 4gh8B-3rg9A:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG

(Mus musculus) 		PF14631
(FancD2) 		5 ILE B 147
LEU B 112
LYS B 135
ILE B 175
ASN B 176
 None
 1.24A 4gh8B-3s4wB:
undetectable		 4gh8B-3s4wB:
9.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3snh DYNAMIN-1

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 ILE A 388
ALA A 408
LEU A 665
ASN A 498
ARG A 663
 None
 1.31A 4gh8B-3snhA:
undetectable		 4gh8B-3snhA:
13.07
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.
3tnf LIDA

(Legionella
pneumophila) 		no annotation 5 ILE B 303
ALA B 271
LEU B 310
SER B 399
ILE B 395
 None
 1.29A 4gh8B-3tnfB:
undetectable		 4gh8B-3tnfB:
15.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LYS A  33
SER A  50
ILE A  51
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
 0.47A 4gh8B-3tq9A:
25.1		 4gh8B-3tq9A:
41.67
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
SER A 111
ILE A 112
PRO A 113
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.69A 4gh8B-3um6A:
21.4		 4gh8B-3um6A:
13.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
LYS A  33
SER A  56
ILE A  57
PRO A  58
TYR A 117
 None
 0.84A 4gh8B-3vcoA:
19.1		 4gh8B-3vcoA:
30.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
SER A  56
ILE A  57
PRO A  58
ARG A  67
TYR A 117
 None
 0.51A 4gh8B-3vcoA:
19.1		 4gh8B-3vcoA:
30.35
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.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE D 135
ALA D 171
LEU D 144
ILE D 152
PRO D 312
 None
 1.11A 4gh8B-3w3aD:
undetectable		 4gh8B-3w3aD:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zpm LATHERIN

(Equus caballus) 		PF01273
(LBP_BPI_CETP) 		5 ILE A  40
ALA A 154
LEU A 101
LYS A  97
PRO A  58
 None
 1.34A 4gh8B-3zpmA:
undetectable		 4gh8B-3zpmA:
22.86
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.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		5 ILE A 216
ALA A 157
SER A  54
ILE A  53
PRO A  23
 None
None
None
ACT  A1358 (-4.7A)
FMN  A1357 (-4.2A)
 1.22A 4gh8B-4a3uA:
undetectable		 4gh8B-4a3uA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 248
MET A  63
ILE A  94
PRO A  95
TYR A 275
 None
 1.38A 4gh8B-4beqA:
undetectable		 4gh8B-4beqA:
17.02
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.
4drs PYRUVATE KINASE

(Cryptosporidium
parvum) 		PF00224
(PK)
PF02887
(PK_C) 		5 ILE A 429
ALA A 452
ILE A 412
PRO A 409
ASN A 518
 None
 1.06A 4gh8B-4drsA:
undetectable		 4gh8B-4drsA:
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		5 ILE A 263
ALA A  82
ASP A 120
LEU A 121
ILE A 128
 None
 1.39A 4gh8B-4ebaA:
undetectable		 4gh8B-4ebaA:
12.86
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 ILE A1340
SER A1324
ILE A1325
PRO A1326
ASN A1331
 None
 1.15A 4gh8B-4fbqA:
undetectable		 4gh8B-4fbqA:
13.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
SER X  64
ILE X  65
PRO X  66
ASN X  69
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
 0.91A 4gh8B-4g8zX:
20.9		 4gh8B-4g8zX:
31.53
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.
4h5y LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM

(Legionella
pneumophila) 		no annotation 5 ILE A 303
ALA A 271
LEU A 310
SER A 399
ILE A 395
 None
 1.28A 4gh8B-4h5yA:
undetectable		 4gh8B-4h5yA:
13.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
MET A  25
LYS A  37
ILE A  62
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
None
14Q  A 202 ( 4.8A)
None
None
 0.83A 4gh8B-4h96A:
18.6		 4gh8B-4h96A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
MET A  25
LYS A  37
SER A  61
ILE A  62
PRO A  63
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
NDP  A 201 (-3.9A)
None
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.87A 4gh8B-4h96A:
18.6		 4gh8B-4h96A:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
SER A  61
ILE A  62
PRO A  63
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
 0.57A 4gh8B-4h98A:
19.8		 4gh8B-4h98A:
27.35
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.
4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Yersinia pestis) 		PF01513
(NAD_kinase) 		5 ILE A 223
ALA A 205
LEU A 129
SER A 191
ILE A 180
 None
 1.30A 4gh8B-4haoA:
undetectable		 4gh8B-4haoA:
19.06
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.
4hi0 UREASE ACCESSORY
PROTEIN UREH

(Helicobacter
pylori) 		PF01774
(UreD) 		5 ILE B 207
ALA B 254
LEU B 200
SER B 219
ILE B 216
 None
 1.20A 4gh8B-4hi0B:
undetectable		 4gh8B-4hi0B:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1u DEPHOSPHO-COA KINASE

(Burkholderia
vietnamiensis) 		PF01121
(CoaE) 		5 ILE A 108
ALA A  22
ILE A 173
ASN A 175
TYR A 106
 None
 1.39A 4gh8B-4i1uA:
2.4		 4gh8B-4i1uA:
22.57
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.
4i6j F-BOX/LRR-REPEAT
PROTEIN 3

(Homo sapiens) 		PF12937
(F-box-like) 		5 ILE B 216
ALA B 220
LEU B 255
SER B 276
ILE B 272
 None
 1.28A 4gh8B-4i6jB:
undetectable		 4gh8B-4i6jB:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igi COLLAGEN ALPHA3(VI)

(Mus musculus) 		PF00092
(VWA) 		5 ILE A1164
ALA A1167
SER A1176
ILE A1160
PRO A1159
 None
 1.37A 4gh8B-4igiA:
undetectable		 4gh8B-4igiA:
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.
4iiw LMO1499 PROTEIN

(Listeria
monocytogenes) 		PF02618
(YceG) 		5 ILE A 249
ALA A 314
SER A 305
ILE A 304
PRO A 303
 None
 1.38A 4gh8B-4iiwA:
undetectable		 4gh8B-4iiwA:
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.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00659
(POLO_box) 		5 ILE B 434
MET B 477
LEU B 414
SER B 403
ILE B 402
 None
 1.24A 4gh8B-4j7bB:
undetectable		 4gh8B-4j7bB:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
SER A  49
PRO A  51
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
 0.33A 4gh8B-4m2xA:
23.6		 4gh8B-4m2xA:
36.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 ( 3.2A)
 0.49A 4gh8B-4m7vA:
23.8		 4gh8B-4m7vA:
36.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
MET A  20
ASP A  27
LYS A  32
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.58A 4gh8B-4p68A:
28.6		 4gh8B-4p68A:
94.44
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 193
SER A 206
ILE A 205
PRO A 204
ASN A 258
 None
 1.21A 4gh8B-4tmcA:
undetectable		 4gh8B-4tmcA:
17.70
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		5 ILE A 770
ALA A 685
LEU A 680
PRO A 760
ARG A 660
 None
 1.32A 4gh8B-4uw2A:
undetectable		 4gh8B-4uw2A:
12.29
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.
4wfi CUTINASE

(Saccharomonospora
viridis) 		PF03403
(PAF-AH_p_II) 		5 ILE A  60
MET A 247
ASP A 292
PRO A 257
ARG A 119
 None
 1.36A 4gh8B-4wfiA:
undetectable		 4gh8B-4wfiA:
21.25
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.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 ILE A 181
ALA A 136
LEU A 150
SER A 291
ASN A 175
 None
 1.37A 4gh8B-4xz3A:
undetectable		 4gh8B-4xz3A:
16.13
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8)
no annotation 		5 ILE I 150
ALA I 226
ILE A  61
ASN I 260
TYR I 173
 None
 1.38A 4gh8B-4zoqI:
undetectable		 4gh8B-4zoqI:
20.61
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.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 715
ALA A 684
LEU A 694
ILE A 664
TYR A 652
 None
 1.29A 4gh8B-5agaA:
undetectable		 4gh8B-5agaA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ILE A 384
ALA A 411
SER A 263
ILE A 266
ASN A 269
 None
 1.26A 4gh8B-5b47A:
undetectable		 4gh8B-5b47A:
14.22
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.
5c5y DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Colwellia
psychrerythraea) 		PF01791
(DeoC) 		5 ILE A  53
ALA A  71
LEU A  20
PRO A  77
ARG A  51
 None
None
UNL  A 301 ( 4.9A)
None
None
 1.20A 4gh8B-5c5yA:
undetectable		 4gh8B-5c5yA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6m DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Shewanella
halifaxensis) 		PF01791
(DeoC) 		5 ILE A  53
ALA A  71
LEU A  20
PRO A  77
ARG A  51
 None
None
None
None
CL  A 302 (-4.2A)
 1.17A 4gh8B-5c6mA:
undetectable		 4gh8B-5c6mA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
SER A  66
ILE A  67
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 0.50A 4gh8B-5dxvA:
16.6		 4gh8B-5dxvA:
66.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
LEU A  45
ILE A  67
ARG A  74
TYR A 117
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
 0.90A 4gh8B-5dxvA:
16.6		 4gh8B-5dxvA:
66.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		5 ILE C 944
ALA C 765
MET C 776
LEU C 570
LYS C 572
 None
 1.29A 4gh8B-5exrC:
undetectable		 4gh8B-5exrC:
9.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
SER A  50
ILE A  51
TYR A 101
 None
 0.52A 4gh8B-5fdaA:
18.6		 4gh8B-5fdaA:
77.91
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		5 ILE B 267
ALA B 326
LEU A 752
SER B 337
ILE B 330
 None
 1.32A 4gh8B-5hccB:
undetectable		 4gh8B-5hccB:
13.20
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ILE A 226
ALA A 167
SER A  64
ILE A  63
PRO A  33
 None
None
None
None
FMN  A 400 (-3.7A)
 1.12A 4gh8B-5k1uA:
undetectable		 4gh8B-5k1uA:
18.98
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.
5m86 TA1207

(Thermoplasma
acidophilum) 		no annotation 5 ILE A 189
ALA A 191
ASP A 230
LYS A 237
TYR A 281
 None
 1.34A 4gh8B-5m86A:
undetectable		 4gh8B-5m86A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
SER A  86
PRO A  88
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
 0.48A 4gh8B-5t0lA:
22.0		 4gh8B-5t0lA:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PRO A  52
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
None
 0.72A 4gh8B-6cxmA:
22.4		 4gh8B-6cxmA:
26.22
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
ASP A  28
LYS A  33
SER A  50
PRO A  52
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
None
 0.55A 4gh8B-6cxmA:
22.4		 4gh8B-6cxmA:
26.22
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
LEU A  28
ILE A  50
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
 0.40A 4gh8B-6e4eA:
24.6		 4gh8B-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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ILE A 599
ALA A 646
LEU A 662
ILE A 628
PRO A 629
 None
None
None
GOL  A 906 (-4.5A)
None
 1.27A 4gh8B-6eksA:
undetectable		 4gh8B-6eksA:
11.42