SIMILAR PATTERNS OF AMINO ACIDS FOR 1U72_A_MTXA188_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
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) 		8 ALA A   9
LEU A  22
GLU A  30
SER A  59
LEU A  67
ARG A  70
VAL A 115
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.3A)
None
 0.39A 1u72A-1dr6A:
31.8		 1u72A-1dr6A:
74.73
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) 		8 ALA A   9
LEU A  22
SER A  59
PRO A  61
ASN A  64
LEU A  67
VAL A 115
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
None
HBI  A 198 ( 4.3A)
None
 0.73A 1u72A-1dr6A:
31.8		 1u72A-1dr6A:
74.73
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) 		8 ALA A   9
LEU A  22
SER A  59
PRO A  61
LEU A  67
ARG A  70
VAL A 115
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
None
HBI  A 198 ( 4.3A)
None
 0.56A 1u72A-1dr6A:
31.8		 1u72A-1dr6A:
74.73
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.
1jjo NEUROSERPIN

(Mus musculus) 		PF00079
(Serpin) 		5 LEU C 288
PHE E 370
ASN A  49
LEU A  51
TYR C 244
 None
 1.09A 1u72A-1jjoC:
undetectable		 1u72A-1jjoC:
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		5 ALA A 131
GLU A 130
GLN A 127
ASN A 289
LEU A 288
 None
 1.25A 1u72A-1js6A:
2.5		 1u72A-1js6A:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  28
SER A  58
PRO A  60
LEU A  63
ARG A  66
 None
NDP  A 194 ( 3.9A)
None
None
None
 0.87A 1u72A-1juvA:
16.8		 1u72A-1juvA:
24.53
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		5 PHE A 251
GLN A  45
SER A 189
LEU A  49
TYR A 271
 None
 1.34A 1u72A-1m32A:
2.1		 1u72A-1m32A:
16.89
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 ALA A 197
LEU A 200
PHE A 190
GLN A 188
ASN A 218
 None
 1.32A 1u72A-1o9bA:
undetectable		 1u72A-1o9bA:
20.07
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.
1q5z SIPA

(Salmonella
enterica) 		PF09052
(SipA) 		5 LEU A 642
PHE A 545
GLN A 624
LEU A 623
ARG A 627
 None
 1.35A 1u72A-1q5zA:
undetectable		 1u72A-1q5zA:
23.12
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.
1tme THEILER'S MURINE
ENCEPHALOMYELITIS
VIRUS (SUBUNIT VP1)
THEILER'S MURINE
ENCEPHALOMYELITIS
VIRUS (SUBUNIT VP2)

(Cardiovirus B) 		PF00073
(Rhv)
no annotation 		5 ALA 1 219
PHE 1 201
ASN 2 222
VAL 1 195
TYR 1 189
 None
 1.15A 1u72A-1tme1:
undetectable		 1u72A-1tme1:
19.93
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) 		11 ALA A   9
GLU A  30
PHE A  31
GLN A  35
SER A  59
PRO A  61
ASN A  64
LEU A  67
ARG A  70
VAL A 115
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
MTX  A 187 (-3.7A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 ( 4.0A)
None
 0.54A 1u72A-1u70A:
31.6		 1u72A-1u70A:
89.25
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 ALA A   9
GLU A  30
SER A  59
PRO A  61
ASN A  64
LEU A  67
ARG A  70
VAL A 115
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.8A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
MXA  A 187 (-4.3A)
None
 0.43A 1u72A-1u71A:
33.9		 1u72A-1u71A:
99.46
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) 		6 GLU A  30
PHE A  31
SER A  59
PRO A  61
VAL A 115
TYR A 121
 MXA  A 187 (-2.9A)
MXA  A 187 (-4.3A)
MXA  A 187 (-3.8A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.3A)
None
 1.42A 1u72A-1u71A:
33.9		 1u72A-1u71A:
99.46
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 ALA A 446
LEU A 442
GLN A 419
PRO A  47
LEU A  75
 None
None
None
GOL  A 541 (-4.6A)
None
 1.31A 1u72A-1yt8A:
undetectable		 1u72A-1yt8A:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
LEU A  45
SER A 120
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
NDP  A1239 (-3.6A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.65A 1u72A-2blbA:
22.2		 1u72A-2blbA:
29.55
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.
2chp METALLOREGULATION
DNA-BINDING STRESS
PROTEIN

(Bacillus
subtilis) 		PF00210
(Ferritin) 		5 ALA A  57
LEU A  31
GLN A 110
ASN A 106
VAL A 141
 None
 1.17A 1u72A-2chpA:
undetectable		 1u72A-2chpA:
23.16
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A  36
PRO A  89
ASN A  88
LEU A 132
VAL A  32
 None
 1.27A 1u72A-2eihA:
undetectable		 1u72A-2eihA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
SER A  83
PRO A  85
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
None
 0.58A 1u72A-2h2qA:
21.8		 1u72A-2h2qA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hku A PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF16914
(TetR_C_12) 		5 ALA A 143
LEU A  97
PHE A 166
ASN A 198
ARG A 156
 EDO  A 302 (-3.3A)
EDO  A 302 (-4.8A)
EDO  A 302 ( 4.5A)
None
None
 1.13A 1u72A-2hkuA:
undetectable		 1u72A-2hkuA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htb PUTATIVE ENZYME
RELATED TO ALDOSE
1-EPIMERASE

(Salmonella
enterica) 		PF01263
(Aldose_epim) 		5 LEU A  61
PHE A  67
GLN A  22
LEU A   8
VAL A  30
 None
 1.32A 1u72A-2htbA:
undetectable		 1u72A-2htbA:
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 ALA A 164
LEU A 161
PHE A   3
SER A   0
VAL A  30
 None
 1.31A 1u72A-2imhA:
undetectable		 1u72A-2imhA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 LEU A 317
GLU A  27
SER A 345
LEU A 249
VAL A 281
 None
None
None
HEM  A 412 ( 3.8A)
None
 1.18A 1u72A-2jjpA:
undetectable		 1u72A-2jjpA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  25
SER A  61
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.56A 1u72A-2oipA:
22.9		 1u72A-2oipA:
17.88
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.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 LEU A 313
PHE A 401
ASN A  80
LEU A  82
TYR A 267
 None
 1.13A 1u72A-2pefA:
undetectable		 1u72A-2pefA:
19.83
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  21
GLU A  28
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.78A 1u72A-2qk8A:
21.4		 1u72A-2qk8A:
33.87
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.
2qna IMPORTIN SUBUNIT
BETA-1
SNURPORTIN-1

(Homo sapiens) 		PF11538
(Snurportin1)
PF13513
(HEAT_EZ) 		5 ALA A 742
LEU A 700
PHE A 717
ARG B  55
TYR A 757
 None
 1.33A 1u72A-2qnaA:
undetectable		 1u72A-2qnaA:
13.62
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		5 LEU A 112
SER A 110
ASN A 186
LEU A 184
ARG A 176
 None
 1.35A 1u72A-2r2dA:
undetectable		 1u72A-2r2dA:
19.93
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
SER A  53
PRO A  55
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.65A 1u72A-2w3wA:
21.8		 1u72A-2w3wA:
32.47
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) 		6 ALA A   7
LEU A  20
SER A  49
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
None
None
None
 0.86A 1u72A-2w9sA:
20.9		 1u72A-2w9sA:
32.45
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.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		5 ALA X 174
PHE X 168
ASN X 121
LEU X 122
VAL X 152
 None
 1.27A 1u72A-3ai9X:
undetectable		 1u72A-3ai9X:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
SER A  48
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.76A 1u72A-3dfrA:
21.5		 1u72A-3dfrA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
SER A  48
PRO A  50
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 2.9A)
 0.64A 1u72A-3dfrA:
21.5		 1u72A-3dfrA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 LEU A  19
SER A  48
LEU A  54
ARG A  57
VAL A  41
 MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
None
 1.19A 1u72A-3dfrA:
21.5		 1u72A-3dfrA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 LEU A  19
SER A  48
PRO A  50
ARG A  57
VAL A  41
 MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 2.9A)
None
 1.21A 1u72A-3dfrA:
21.5		 1u72A-3dfrA:
31.22
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
LEU A  46
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 ( 3.8A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.52A 1u72A-3dg8A:
22.8		 1u72A-3dg8A:
25.45
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2
DNA POLYMERASE
SUBUNIT DELTA-3

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF09507
(CDC27) 		5 ALA A 437
LEU A 197
GLN A 216
LEU A 226
VAL B  77
 None
 1.26A 1u72A-3e0jA:
undetectable		 1u72A-3e0jA:
16.84
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.
3e35 UNCHARACTERIZED
PROTEIN SCO1997

(Streptomyces
coelicolor) 		PF09754
(PAC2) 		5 LEU A 232
PHE A 107
SER A  55
PRO A  57
VAL A  49
 None
 1.10A 1u72A-3e35A:
undetectable		 1u72A-3e35A:
21.79
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A1066
GLN A 887
ASN A 895
LEU A 869
VAL A1098
 None
 1.15A 1u72A-3fawA:
undetectable		 1u72A-3fawA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 ALA A 373
LEU A 382
GLU A 378
GLN A 412
PRO A 361
 None
 1.33A 1u72A-3fjoA:
undetectable		 1u72A-3fjoA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 PHE B 272
GLN B 276
SER B 319
ASN B 315
VAL B 258
 None
 1.34A 1u72A-3h1lB:
undetectable		 1u72A-3h1lB:
17.82
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.
3hhf TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		no annotation 5 ALA B 112
LEU B 126
PHE B 285
SER B  99
LEU B 159
 None
 1.16A 1u72A-3hhfB:
2.3		 1u72A-3hhfB:
23.22
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.
3hhg TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 ALA A 112
LEU A 126
PHE A 285
SER A  99
LEU A 159
 None
 1.22A 1u72A-3hhgA:
undetectable		 1u72A-3hhgA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
SER X  49
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-3.3A)
None
None
None
 0.98A 1u72A-3i8aX:
20.5		 1u72A-3i8aX:
29.19
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) 		6 ALA A   8
GLU A  28
SER A  50
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.64A 1u72A-3ia4A:
21.1		 1u72A-3ia4A:
30.65
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 154
LEU A 151
ASN A 161
LEU A 164
VAL A 174
 None
None
FAD  A 490 (-3.7A)
None
None
 1.30A 1u72A-3ic9A:
undetectable		 1u72A-3ic9A:
18.68
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 ALA A  10
LEU A  23
GLU A  30
ARG A  61
VAL A 100
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.0A)
 0.45A 1u72A-3ix9A:
21.4		 1u72A-3ix9A:
32.67
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 ALA A  10
LEU A  23
GLU A  30
LEU A  58
ARG A  61
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.75A 1u72A-3ix9A:
21.4		 1u72A-3ix9A:
32.67
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 ALA W 731
LEU W 715
PHE W 720
LEU W 400
VAL W 736
 None
 1.25A 1u72A-3iylW:
undetectable		 1u72A-3iylW:
8.53
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 420
LEU A 590
SER A 583
LEU A 429
VAL A 558
 None
 1.29A 1u72A-3j08A:
undetectable		 1u72A-3j08A:
13.41
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ALA A 420
LEU A 590
SER A 583
LEU A 429
VAL A 558
 None
 1.24A 1u72A-3j09A:
undetectable		 1u72A-3j09A:
13.00
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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 ALA A 272
GLN A 301
PRO A 200
LEU A 300
VAL A 306
 None
 1.32A 1u72A-3j31A:
undetectable		 1u72A-3j31A:
18.68
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 ALA A  33
LEU A   3
GLN A 131
SER A 118
VAL A  47
 None
 1.10A 1u72A-3kd6A:
undetectable		 1u72A-3kd6A:
21.69
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.62A 1u72A-3kjrA:
22.6		 1u72A-3kjrA:
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 ALA A  20
PHE A 331
SER A 113
LEU A 231
VAL A 285
 None
 1.32A 1u72A-3lm6A:
undetectable		 1u72A-3lm6A:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
SER A  89
PRO A  91
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
None
None
None
 0.59A 1u72A-3rg9A:
21.9		 1u72A-3rg9A:
28.98
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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		5 ALA A 126
LEU A 237
PHE A  44
SER A 114
VAL A 265
 None
 1.30A 1u72A-3rq0A:
undetectable		 1u72A-3rq0A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU A 432
PHE A 366
GLN A 377
LEU A 381
VAL A 417
 None
 1.18A 1u72A-3thzA:
undetectable		 1u72A-3thzA:
11.62
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  21
SER A  50
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.71A 1u72A-3tq9A:
21.5		 1u72A-3tq9A:
29.50
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 ALA A 322
LEU A 310
PRO A  84
ASN A  82
VAL A 272
 None
 1.32A 1u72A-3tsyA:
undetectable		 1u72A-3tsyA:
11.86
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.
3u0n MRUBY

(Entacmaea
quadricolor) 		PF01353
(GFP) 		5 ALA A  54
GLU A 208
SER A  61
LEU A 199
TYR A  96
 None
None
None
NRQ  A  64 ( 3.0A)
None
 1.34A 1u72A-3u0nA:
undetectable		 1u72A-3u0nA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LEU A  46
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 ( 4.4A)
None
None
None
None
 0.59A 1u72A-3um6A:
22.5		 1u72A-3um6A:
13.98
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
GLN A 375
PRO A 379
TYR A 228
 None
 1.25A 1u72A-3ut3A:
undetectable		 1u72A-3ut3A:
18.46
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) 		6 ALA A   8
SER A  56
PRO A  58
LEU A  64
ARG A  67
TYR A 117
 None
 0.63A 1u72A-3vcoA:
23.9		 1u72A-3vcoA:
36.62
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.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 229
GLU A 231
GLN A 241
LEU A 170
VAL A 248
 None
 1.18A 1u72A-4b99A:
undetectable		 1u72A-4b99A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		5 GLN A 265
ASN A 129
LEU A 130
VAL A 189
TYR A 167
 None
 1.26A 1u72A-4bs9A:
undetectable		 1u72A-4bs9A:
12.17
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) 		9 ALA X  12
LEU X  25
GLU X  32
SER X  64
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.84A 1u72A-4g8zX:
25.0		 1u72A-4g8zX:
37.38
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) 		5 ALA A  11
GLU A  32
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
None
None
None
 0.56A 1u72A-4h96A:
21.3		 1u72A-4h96A:
33.85
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) 		6 ALA A  11
SER A  61
PRO A  63
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-3.9A)
None
None
None
None
 0.88A 1u72A-4h96A:
21.3		 1u72A-4h96A:
33.85
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) 		8 ALA A  11
LEU A  25
GLU A  32
SER A  61
PRO A  63
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.4A)
None
None
None
 0.63A 1u72A-4h98A:
22.3		 1u72A-4h98A:
37.56
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 ALA A 470
PRO A 156
ASN A 158
ARG A 108
VAL A 112
 None
None
POA  A 500 (-3.5A)
POA  A 500 (-2.6A)
None
 1.28A 1u72A-4i3uA:
undetectable		 1u72A-4i3uA:
18.88
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.
4jx0 HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF08522
(DUF1735) 		5 PRO A 129
ASN A 132
LEU A 153
VAL A 191
TYR A  70
 None
 1.28A 1u72A-4jx0A:
undetectable		 1u72A-4jx0A:
20.44
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) 		6 ALA A   7
SER A  49
PRO A  51
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
None
 0.48A 1u72A-4m2xA:
21.0		 1u72A-4m2xA:
31.94
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ALA A 227
LEU A 273
SER A 553
ASN A 628
VAL A 232
 None
 1.23A 1u72A-4nurA:
undetectable		 1u72A-4nurA:
15.20
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.
4po4 LAMPETRA PLANERI
VLRC

(Lampetra
planeri) 		PF13855
(LRR_8) 		5 LEU A  71
PHE A  60
GLN A  86
PRO A  56
VAL A 107
 None
 1.26A 1u72A-4po4A:
undetectable		 1u72A-4po4A:
19.91
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.
4u65 PUTATIVE CYSTINE
PROTEASE

(Pseudomonas
fluorescens) 		PF06035
(Peptidase_C93) 		5 ALA E 141
LEU E 128
PHE E 101
GLN E  86
ASN E  81
 None
 0.89A 1u72A-4u65E:
undetectable		 1u72A-4u65E:
23.94
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
fortuitum) 		PF00722
(Glyco_hydro_16) 		5 ALA A 139
LEU A 250
PHE A  57
SER A 127
ASN A  66
 ALA  A 139 ( 0.0A)
LEU  A 250 ( 0.6A)
PHE  A  57 ( 1.3A)
SER  A 127 ( 0.0A)
ASN  A  66 ( 0.6A)
 1.23A 1u72A-4w65A:
undetectable		 1u72A-4w65A:
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
fortuitum) 		PF00722
(Glyco_hydro_16) 		5 ALA A 139
LEU A 250
PHE A  57
SER A 127
VAL A 278
 ALA  A 139 ( 0.0A)
LEU  A 250 ( 0.6A)
PHE  A  57 ( 1.3A)
SER  A 127 ( 0.0A)
VAL  A 278 ( 0.6A)
 1.29A 1u72A-4w65A:
undetectable		 1u72A-4w65A:
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.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 GLU A 304
PHE A 303
GLN A 299
PRO A  89
VAL A   7
 None
 1.25A 1u72A-4xcvA:
undetectable		 1u72A-4xcvA:
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ALA A 204
LEU A 219
PHE A 259
LEU A 320
VAL A 190
 None
 1.27A 1u72A-4y9wA:
undetectable		 1u72A-4y9wA:
19.25
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 ALA A 724
LEU A 600
PRO A 736
ASN A 739
LEU A 743
 None
 1.04A 1u72A-4yplA:
undetectable		 1u72A-4yplA:
15.85
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 ALA A  99
LEU A 123
GLN A 174
LEU A 178
VAL A  86
 None
 1.16A 1u72A-4yteA:
undetectable		 1u72A-4yteA:
20.48
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.
4zsl MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 229
GLU A 231
GLN A 241
LEU A 170
VAL A 248
 None
 1.29A 1u72A-4zslA:
undetectable		 1u72A-4zslA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8f HUMAN SAFFOLD
VIRUS-3 VP1
HUMAN SAFFOLD
VIRUS-3 VP2

(Cardiovirus B) 		PF00073
(Rhv)
no annotation 		5 ALA A 224
PHE A 206
ASN C 226
VAL A 200
TYR A 194
 None
 1.14A 1u72A-5a8fA:
undetectable		 1u72A-5a8fA:
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
SER A  66
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
 0.50A 1u72A-5dxvA:
12.5		 1u72A-5dxvA:
27.84
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.
5e9w MRNA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 ALA A 382
LEU A 378
PHE A 470
SER A 290
LEU A 204
 None
 1.34A 1u72A-5e9wA:
undetectable		 1u72A-5e9wA:
21.54
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 ALA A  85
LEU A 123
GLN A 198
LEU A 102
VAL A 174
 None
 1.28A 1u72A-5gm3A:
undetectable		 1u72A-5gm3A:
18.10
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 471
PHE A 476
SER A 500
PRO A 504
LEU A 508
 None
 1.25A 1u72A-5gs0A:
undetectable		 1u72A-5gs0A:
15.26
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 LEU A 327
PHE A 363
GLN A 173
PRO A 260
VAL A 252
 None
 1.33A 1u72A-5infA:
undetectable		 1u72A-5infA:
15.11
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.
5k39 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 LEU A  64
PHE A  58
GLN A  48
PRO A  52
VAL A 129
 None
 1.24A 1u72A-5k39A:
undetectable		 1u72A-5k39A:
21.72
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A  16
PHE A 391
GLN A 389
SER A 374
TYR A  54
 None
 1.10A 1u72A-5kp7A:
undetectable		 1u72A-5kp7A:
20.37
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.
5mmx CSPYL1_ABA

(Citrus sinensis) 		no annotation 5 LEU B  42
GLU B  38
PHE B 158
SER B 154
ASN B  71
 None
 1.09A 1u72A-5mmxB:
undetectable		 1u72A-5mmxB:
20.91
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  10
LEU A  23
PHE A  32
SER A  86
PRO A  88
LEU A  94
ARG A  97
VAL A 151
TYR A 157
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
73X  A 704 ( 3.8A)
None
 0.52A 1u72A-5t0lA:
24.2		 1u72A-5t0lA:
16.02
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 ALA A  90
LEU A 238
PHE A 275
SER A 236
PRO A 234
 None
 1.26A 1u72A-5vmbA:
undetectable		 1u72A-5vmbA:
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.
5ykh PUMILIO HOMOLOG 1

(Homo sapiens) 		no annotation 5 ALA A  62
LEU A  90
GLN A  40
LEU A  43
VAL A  54
 None
 1.11A 1u72A-5ykhA:
undetectable		 1u72A-5ykhA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 ALA E1152
PRO E 317
LEU E 366
ARG E 370
VAL E1259
 None
 1.23A 1u72A-6c3pE:
undetectable		 1u72A-6c3pE:
16.22
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 5 ALA A 448
LEU A 192
GLN A 387
ASN A 380
TYR A 394
 None
 1.21A 1u72A-6cgmA:
undetectable		 1u72A-6cgmA:
18.28
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.45A 1u72A-6cxmA:
20.3		 1u72A-6cxmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 831
PHE A 884
GLN A 555
SER A 879
LEU A 929
 None
 1.29A 1u72A-6eojA:
undetectable		 1u72A-6eojA:
8.35
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.
6f5u ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 ALA A  82
GLU A 178
PHE A 160
LEU A 122
TYR A 232
 None
 1.29A 1u72A-6f5uA:
undetectable		 1u72A-6f5uA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 ALA A  82
GLU A 178
PHE A 160
LEU A 122
TYR A 232
 GOL  A 506 ( 4.7A)
GOL  A 506 (-4.0A)
None
None
None
 1.25A 1u72A-6f6sA:
undetectable		 1u72A-6f6sA:
21.02