SIMILAR PATTERNS OF AMINO ACIDS FOR 4CD2_A_FOLA207

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  31
THR A  47
LEU A  55
ARG A  58
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.55A 4cd2A-1cz3A:
17.1		 4cd2A-1cz3A:
28.51
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) 		9 ILE A   7
ALA A   9
GLU A  30
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.35A 4cd2A-1dr6A:
24.0		 4cd2A-1dr6A:
39.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		5 ILE A 144
ALA A 160
ILE A 165
PHE A 162
LEU A  52
 MLY  A 143 ( 3.9A)
None
None
None
MLY  A  53 ( 4.3A)
 1.25A 4cd2A-1llnA:
undetectable		 4cd2A-1llnA:
22.09
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.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		5 ILE A  15
ILE A  62
LYS A  65
LEU A  39
THR A  96
 None
 1.16A 4cd2A-1q0uA:
undetectable		 4cd2A-1q0uA:
22.75
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) 		9 ILE A   7
ALA A   9
GLU A  30
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.34A 4cd2A-1u70A:
24.3		 4cd2A-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) 		9 ILE A   7
ALA A   9
GLU A  30
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
None
None
None
MXA  A 187 (-4.3A)
 0.39A 4cd2A-1u71A:
23.9		 4cd2A-1u71A:
36.84
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.
1vkf GLYCEROL UPTAKE
OPERON
ANTITERMINATOR-RELAT
ED PROTEIN

(Thermotoga
maritima) 		PF04309
(G3P_antiterm) 		5 ILE A   6
ALA A 143
ILE A  76
PHE A  24
THR A 139
 None
CIT  A 501 (-3.4A)
None
None
None
 1.29A 4cd2A-1vkfA:
undetectable		 4cd2A-1vkfA:
21.36
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ILE A 304
ALA A 300
ILE A 404
LEU A 272
TYR A 290
 None
 1.22A 4cd2A-1x8vA:
undetectable		 4cd2A-1x8vA:
18.12
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 ILE A 197
LYS A 376
LEU A  44
ARG A 105
TYR A  33
 None
 1.18A 4cd2A-1z5aA:
undetectable		 4cd2A-1z5aA:
19.29
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
PHE A  31
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.51A 4cd2A-1zdrA:
18.7		 4cd2A-1zdrA:
34.80
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
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.49A 4cd2A-1zdrA:
18.7		 4cd2A-1zdrA:
34.80
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.33A 4cd2A-2blbA:
19.9		 4cd2A-2blbA:
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.
2dc2 GOLGI ASSOCIATED PDZ
AND COILED-COIL
MOTIF CONTAINING
ISOFORM B

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  60
ALA A  62
GLU A  90
PHE A  89
LEU A  23
 None
 1.20A 4cd2A-2dc2A:
undetectable		 4cd2A-2dc2A:
16.99
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.
2eyu TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 ALA A 246
ILE A 277
THR A 333
LEU A 291
THR A 249
 None
 1.27A 4cd2A-2eyuA:
undetectable		 4cd2A-2eyuA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsz TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		5 ALA A 246
ILE A 277
THR A 333
LEU A 291
THR A 249
 None
 1.20A 4cd2A-2gszA:
undetectable		 4cd2A-2gszA:
19.78
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
PHE A  52
THR A  80
PHE A  88
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.42A 4cd2A-2h2qA:
20.1		 4cd2A-2h2qA:
17.84
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.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		5 ILE A  11
GLU A  52
PHE A  48
LEU A 126
THR A   6
 None
 1.23A 4cd2A-2jhqA:
undetectable		 4cd2A-2jhqA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nxo HYPOTHETICAL PROTEIN
SCO4506

(Streptomyces
coelicolor) 		PF02621
(VitK2_biosynth) 		5 ILE A  54
ALA A 189
ILE A  75
PHE A 209
LEU A  24
 None
 1.16A 4cd2A-2nxoA:
undetectable		 4cd2A-2nxoA:
23.40
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 ALA A 557
ILE A 646
PHE A 690
PHE A 727
LEU A 660
 None
 1.20A 4cd2A-2oajA:
undetectable		 4cd2A-2oajA:
13.26
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
PHE A  36
THR A  58
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.57A 4cd2A-2oipA:
20.4		 4cd2A-2oipA:
17.81
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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A  38
THR A  81
ARG A  69
TYR A 199
THR A 214
 EDO  A 278 (-4.7A)
EDO  A 284 ( 3.5A)
EDO  A 275 (-2.8A)
EDO  A 280 (-4.3A)
None
 1.00A 4cd2A-2p4gA:
13.7		 4cd2A-2p4gA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		5 ILE A 367
ALA A 386
ILE A 379
PHE A 376
THR A 199
 None
 1.25A 4cd2A-2pywA:
undetectable		 4cd2A-2pywA:
18.48
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.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ILE A 545
ALA A 593
PHE A 580
LEU A 603
THR A 592
 PCG  A 401 ( 4.0A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.9A)
 1.21A 4cd2A-2q0aA:
undetectable		 4cd2A-2q0aA:
18.55
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) 		7 ALA A   8
GLU A  28
LYS A  33
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.72A 4cd2A-2qk8A:
19.7		 4cd2A-2qk8A:
30.85
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.
2vli ANTIBIOTIC
RESISTANCE PROTEIN

(Deinococcus
radiodurans) 		no annotation 5 ILE A   8
ALA A 162
ILE A 151
PHE A 109
THR A  21
 None
 1.28A 4cd2A-2vliA:
undetectable		 4cd2A-2vliA:
16.43
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) 		6 ALA A  11
PHE A  35
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.55A 4cd2A-2w3wA:
19.6		 4cd2A-2w3wA:
32.68
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) 		6 ALA A  11
PHE A  35
THR A  50
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.30A 4cd2A-2w3wA:
19.6		 4cd2A-2w3wA:
32.68
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) 		7 ILE A   5
ALA A   7
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.62A 4cd2A-2w9sA:
18.4		 4cd2A-2w9sA:
34.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wwe PHOSPHOINOSITIDE-3-K
INASE, CLASS 2,
GAMMA POLYPEPTIDE

(Homo sapiens) 		PF00787
(PX) 		5 ILE A1204
ILE A1222
PHE A1303
LEU A1244
THR A1225
 None
 1.26A 4cd2A-2wweA:
undetectable		 4cd2A-2wweA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 ALA A  54
PHE A  19
LEU A 144
ARG A 146
TYR A 132
 None
 1.17A 4cd2A-2yijA:
undetectable		 4cd2A-2yijA:
20.53
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.
2yn7 OUTER SURFACE
PROTEIN

(Borreliella
burgdorferi) 		PF05714
(Borrelia_lipo_1) 		5 ALA A 269
GLU A 313
ILE A 310
LEU A 253
THR A 213
 None
 1.23A 4cd2A-2yn7A:
undetectable		 4cd2A-2yn7A:
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.
2yt8 AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY A MEMBER 3

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  54
ILE A  68
LEU A  22
ARG A  15
THR A  62
 None
 1.29A 4cd2A-2yt8A:
undetectable		 4cd2A-2yt8A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6p UFM1-CONJUGATING
ENZYME 1

(Homo sapiens) 		PF08694
(UFC1) 		5 ILE A  86
ALA A  94
ILE A  97
PHE A  84
LEU A  56
 None
 1.03A 4cd2A-2z6pA:
undetectable		 4cd2A-2z6pA:
21.53
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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ILE A 187
ALA A 366
ILE A 145
LEU A 157
THR A 362
 None
 1.27A 4cd2A-3afgA:
undetectable		 4cd2A-3afgA:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
PHE A  30
THR A  45
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.66A 4cd2A-3dfrA:
19.5		 4cd2A-3dfrA:
27.27
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
PHE A  58
PHE A 116
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.37A 4cd2A-3dg8A:
20.2		 4cd2A-3dg8A:
25.00
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.
3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN

(Homo sapiens) 		PF08324
(PUL) 		5 ILE A 551
ALA A 546
ILE A 583
THR A 662
LEU A 599
 None
 1.06A 4cd2A-3ebbA:
undetectable		 4cd2A-3ebbA:
19.94
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.
3gwl FAD-LINKED
SULFHYDRYL OXIDASE

(African swine
fever virus) 		PF04777
(Evr1_Alr) 		5 ALA A 116
ILE A 135
PHE A 138
PHE A 152
LEU A 142
 None
None
None
None
FAD  A 334 (-4.6A)
 1.27A 4cd2A-3gwlA:
undetectable		 4cd2A-3gwlA:
19.89
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
LYS X  32
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
None
None
None
N22  X 219 (-4.4A)
 0.88A 4cd2A-3i8aX:
18.4		 4cd2A-3i8aX:
31.75
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
THR X  46
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
None
None
None
N22  X 219 (-4.4A)
 0.78A 4cd2A-3i8aX:
18.4		 4cd2A-3i8aX:
31.75
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) 		10 ILE A   6
ALA A   8
GLU A  28
PHE A  32
LYS A  33
THR A  47
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.66A 4cd2A-3ia4A:
18.9		 4cd2A-3ia4A:
30.62
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		8 ILE A   8
ALA A  10
GLU A  30
PHE A  34
LYS A  35
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.71A 4cd2A-3ix9A:
19.0		 4cd2A-3ix9A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
GLU A  30
PHE A  34
THR A  49
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.54A 4cd2A-3ix9A:
19.0		 4cd2A-3ix9A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.60A 4cd2A-3kjrA:
20.9		 4cd2A-3kjrA:
19.27
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ALA A 134
ILE A  78
PHE A  39
LEU A 114
THR A 131
 None
 1.24A 4cd2A-3l01A:
undetectable		 4cd2A-3l01A:
18.37
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.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
PHE A 181
LEU A 204
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 1.23A 4cd2A-3ogjA:
undetectable		 4cd2A-3ogjA:
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ALA A 320
PHE A 327
THR A 346
PHE A 492
LEU A 489
 None
 1.22A 4cd2A-3qfkA:
undetectable		 4cd2A-3qfkA:
17.68
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 276
ALA A 307
PHE A  72
LEU A  88
THR A 308
 None
 1.22A 4cd2A-3r11A:
undetectable		 4cd2A-3r11A:
18.16
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
THR A  86
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
None
WRA  A 602 (-4.2A)
 0.36A 4cd2A-3rg9A:
20.9		 4cd2A-3rg9A:
29.88
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) 		6 ILE A   6
ALA A   8
PHE A  32
LYS A  33
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.75A 4cd2A-3tq9A:
19.0		 4cd2A-3tq9A:
32.21
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) 		7 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.53A 4cd2A-3tq9A:
19.0		 4cd2A-3tq9A:
32.21
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
PHE A  58
THR A 108
PHE A 116
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
None
1CY  A 609 (-4.3A)
 0.48A 4cd2A-3um6A:
20.3		 4cd2A-3um6A:
16.83
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 308
ILE A 325
THR A 317
PHE A 322
LEU A 355
 None
 1.28A 4cd2A-3vabA:
undetectable		 4cd2A-3vabA:
21.43
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) 		8 ALA A   8
PHE A  32
LYS A  33
THR A  53
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.81A 4cd2A-3vcoA:
22.7		 4cd2A-3vcoA:
34.23
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
PHE A  32
THR A  53
PHE A  61
LEU A  64
ARG A  67
TYR A 117
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.85A 4cd2A-3vcoA:
22.7		 4cd2A-3vcoA:
34.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zv8 3C PROTEASE

(Enterovirus D) 		PF00548
(Peptidase_C3) 		5 ILE A 160
ILE A  10
PHE A  89
LEU A  90
THR A  26
 None
 1.09A 4cd2A-3zv8A:
undetectable		 4cd2A-3zv8A:
19.21
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.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 150
THR A 124
LEU A 133
TYR A 190
THR A 221
 None
 1.24A 4cd2A-3zxyA:
undetectable		 4cd2A-3zxyA:
23.62
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
LEU A 389
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.12A 4cd2A-4d7sA:
undetectable		 4cd2A-4d7sA:
22.32
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) 		10 ILE X  10
ALA X  12
GLU X  32
ILE X  33
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
 0.43A 4cd2A-4g8zX:
31.2		 4cd2A-4g8zX:
95.10
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.
4gos V-SET
DOMAIN-CONTAINING
T-CELL ACTIVATION
INHIBITOR 1

(Homo sapiens) 		PF07686
(V-set) 		5 ALA A 102
ILE A  69
PHE A  83
LEU A  64
THR A 101
 None
 1.29A 4cd2A-4gosA:
undetectable		 4cd2A-4gosA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 ALA A 153
THR A 127
LEU A 136
TYR A 193
THR A 224
 None
 1.21A 4cd2A-4h6wA:
undetectable		 4cd2A-4h6wA:
21.57
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
ALA A  11
GLU A  32
ILE A  33
PHE A  36
LYS A  37
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.0A)
14Q  A 202 (-4.0A)
None
None
14Q  A 202 ( 4.6A)
 0.86A 4cd2A-4h96A:
23.4		 4cd2A-4h96A:
38.50
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) 		10 ILE A   9
ALA A  11
GLU A  32
ILE A  33
PHE A  36
THR A  58
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.0A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
None
None
None
14Q  A 202 ( 4.6A)
 0.69A 4cd2A-4h96A:
23.4		 4cd2A-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ALA A  11
GLU A  32
PHE A  36
THR A  58
PHE A  66
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-3.7A)
None
None
None
14Q  A 302 (-4.2A)
 0.67A 4cd2A-4h98A:
21.6		 4cd2A-4h98A:
35.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
GLU A  32
PHE A  36
THR A  58
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
None
None
None
14Q  A 302 (-4.2A)
 0.49A 4cd2A-4h98A:
21.6		 4cd2A-4h98A:
35.37
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 (-4.2A)
 0.46A 4cd2A-4m2xA:
18.3		 4cd2A-4m2xA:
29.27
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 1.25A 4cd2A-4m7vA:
17.5		 4cd2A-4m7vA:
29.67
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  31
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.72A 4cd2A-4m7vA:
17.5		 4cd2A-4m7vA:
29.67
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.37A 4cd2A-4m7vA:
17.5		 4cd2A-4m7vA:
29.67
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.
4mm0 P450-LIKE
MONOOXYGENASE

(Streptomyces
griseoviridis) 		PF00067
(p450) 		5 ILE A 106
ALA A 350
GLU A 353
ILE A 146
LEU A 204
 None
HEM  A 401 ( 3.9A)
HEM  A 401 (-3.8A)
None
None
 1.20A 4cd2A-4mm0A:
undetectable		 4cd2A-4mm0A:
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.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		5 ILE A  24
ALA A  28
ILE A   9
LEU A  59
THR A  26
 None
 1.17A 4cd2A-4nq3A:
undetectable		 4cd2A-4nq3A:
19.10
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.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 ALA A 198
GLU A 218
ILE A 190
PHE A 217
LEU A 182
 None
 1.13A 4cd2A-4nu3A:
undetectable		 4cd2A-4nu3A:
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.
4o4a LIPOPROTEIN,
PUTATIVE

(Bacillus
anthracis) 		no annotation 5 ALA A  78
ILE A  41
THR A  37
TYR A  53
THR A  77
 None
 1.18A 4cd2A-4o4aA:
undetectable		 4cd2A-4o4aA:
22.22
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 399
GLU A 345
PHE A 344
LEU A 417
THR A 397
 None
 1.24A 4cd2A-4oc9A:
undetectable		 4cd2A-4oc9A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p3z COPN

(Chlamydia
pneumoniae) 		PF07201
(HrpJ) 		5 ILE A 180
ALA A 140
ILE A 185
LEU A 260
THR A 144
 None
 1.29A 4cd2A-4p3zA:
undetectable		 4cd2A-4p3zA:
17.14
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) 		7 ILE A   5
ALA A   7
PHE A  31
LYS A  32
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.47A 4cd2A-4p68A:
19.1		 4cd2A-4p68A:
30.73
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) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.35A 4cd2A-4p68A:
19.1		 4cd2A-4p68A:
30.73
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.
4p8i PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Bacillus
subtilis) 		no annotation 5 ILE A 122
ALA A 106
ILE A 129
TYR A 112
THR A  61
 None
 1.27A 4cd2A-4p8iA:
undetectable		 4cd2A-4p8iA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd3 L-AMINO ACID LIGASE

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		5 ILE A 354
ILE A 345
THR A 400
PHE A 342
LEU A 332
 None
 1.06A 4cd2A-4wd3A:
undetectable		 4cd2A-4wd3A:
20.29
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.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		5 ILE A 163
THR A  88
PHE A 172
LEU A 171
TYR A  32
 None
 1.23A 4cd2A-4y21A:
undetectable		 4cd2A-4y21A:
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.
4yc7 FORMIN-LIKE PROTEIN
2

(Homo sapiens) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ILE B 283
ALA B 272
PHE B 323
PHE B 307
LEU B 303
 None
 1.23A 4cd2A-4yc7B:
undetectable		 4cd2A-4yc7B:
20.05
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.
5a98 POLYHEDRIN

(Cypovirus 15) 		no annotation 5 ILE A 220
ILE A 233
PHE A 232
THR A  30
THR A  42
 None
 1.14A 4cd2A-5a98A:
undetectable		 4cd2A-5a98A:
22.48
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 ALA C 163
GLU C 166
ILE C 201
PHE C 200
LEU C 182
 None
None
None
None
BSU  C 401 ( 4.9A)
 1.04A 4cd2A-5cw2C:
undetectable		 4cd2A-5cw2C:
16.82
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.
5dgk ACTIVE HELICASE

(Staphylococcus
aureus) 		PF06048
(DUF927) 		5 ILE A 204
ALA A 187
ILE A 306
PHE A 206
THR A 303
 None
 1.18A 4cd2A-5dgkA:
undetectable		 4cd2A-5dgkA:
16.72
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.51A 4cd2A-5dxvA:
12.5		 4cd2A-5dxvA:
24.41
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
None
None
 0.86A 4cd2A-5ecxA:
18.4		 4cd2A-5ecxA:
27.05
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
5N1  A 202 ( 4.7A)
None
 0.85A 4cd2A-5ecxA:
18.4		 4cd2A-5ecxA:
27.05
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
THR A  46
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
 0.39A 4cd2A-5ecxA:
18.4		 4cd2A-5ecxA:
27.05
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) 		7 ILE A   6
ALA A   8
THR A  47
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.12A 4cd2A-5fdaA:
14.3		 4cd2A-5fdaA:
31.71
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.
5jnq PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

([Clostridium]
bolteae) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 ILE A 257
ALA A 189
ILE A 194
PHE A 191
LEU A 322
 None
None
PLM  A 402 ( 4.6A)
None
None
 1.09A 4cd2A-5jnqA:
undetectable		 4cd2A-5jnqA:
18.62
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ILE A 211
ALA A 172
THR A 225
PHE A 193
LEU A 198
 None
 1.30A 4cd2A-5k8fA:
undetectable		 4cd2A-5k8fA:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
PHE A  35
THR A  83
PHE A  91
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 ( 4.2A)
None
None
None
73X  A 704 (-4.2A)
 0.43A 4cd2A-5t0lA:
22.5		 4cd2A-5t0lA:
18.85
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.
5uq1 SPEEDY PROTEIN A

(Homo sapiens) 		PF11357
(Spy1) 		5 ILE B 144
ALA B 126
ILE B 121
PHE B 124
LEU B  82
 None
 1.29A 4cd2A-5uq1B:
undetectable		 4cd2A-5uq1B:
21.03
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.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 ILE A 173
ALA A 137
ILE A 168
THR A 182
LEU A 199
 None
 1.10A 4cd2A-5v1sA:
undetectable		 4cd2A-5v1sA:
18.48
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.
5ynl ARGINASE

(Glaciozyma
antarctica) 		no annotation 5 ILE A 271
ALA A 313
ILE A 286
PHE A 242
LEU A 247
 None
 1.09A 4cd2A-5ynlA:
undetectable		 4cd2A-5ynlA:
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.
6b4h NUCLEOPORIN GLE1

(Chaetomium
thermophilum) 		no annotation 5 ILE A 330
ALA A 326
ILE A 372
PHE A 375
PHE A 445
 None
 1.22A 4cd2A-6b4hA:
undetectable		 4cd2A-6b4hA:
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		no annotation 5 ILE L 368
ALA L 353
PHE L  25
THR L 345
LEU L 375
 None
None
None
NFU  L 401 (-3.7A)
None
 1.26A 4cd2A-6cfwL:
undetectable		 4cd2A-6cfwL:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.64A 4cd2A-6cxmA:
18.0		 4cd2A-6cxmA:
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.
6cy1 SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Elizabethkingia
anophelis) 		no annotation 5 ILE A 292
ILE A 279
PHE A 309
THR A 272
PHE A  27
 None
None
None
EDO  A 401 (-3.9A)
None
 1.28A 4cd2A-6cy1A:
undetectable		 4cd2A-6cy1A:
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.
6e4e -

(-) 		no annotation 5 ALA A   7
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.74A 4cd2A-6e4eA:
18.5		 4cd2A-6e4eA:
undetectable