SIMILAR PATTERNS OF AMINO ACIDS FOR 3JW3_A_TOPA208

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) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
HBI  A 198 ( 4.5A)
 1.18A 3jw3A-1dr6A:
21.3		 3jw3A-1dr6A:
31.96
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) 		5 ALA A   9
GLU A  30
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
HBI  A 198 ( 4.5A)
 0.80A 3jw3A-1dr6A:
21.3		 3jw3A-1dr6A:
31.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii8 RAD50 ABC-ATPASE

(Pyrococcus
furiosus) 		PF13304
(AAA_21)
PF13476
(AAA_23) 		5 ALA B 771
LEU A 163
VAL A 157
LEU B 812
ILE B 748
 None
 1.03A 3jw3A-1ii8B:
undetectable		 3jw3A-1ii8B:
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.
1nfa HUMAN TRANSCRIPTION
FACTOR NFATC1

(Homo sapiens) 		PF00554
(RHD_DNA_bind) 		5 MET A 114
ALA A 116
LEU A  61
LEU A 163
THR A  91
 None
 1.15A 3jw3A-1nfaA:
undetectable		 3jw3A-1nfaA:
22.16
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 LEU K  21
VAL K  24
ILE K  51
LEU K  62
ILE K  26
 None
IOD  K1920 ( 4.6A)
None
None
None
 1.17A 3jw3A-1oxxK:
2.1		 3jw3A-1oxxK:
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  89
VAL A 232
ILE A 150
ILE A 202
THR A  83
 None
 1.15A 3jw3A-1pffA:
undetectable		 3jw3A-1pffA:
20.79
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) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-4.4A)
 1.08A 3jw3A-1u70A:
20.8		 3jw3A-1u70A:
32.32
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) 		5 ALA A   9
GLU A  30
ILE A  60
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.68A 3jw3A-1u70A:
20.8		 3jw3A-1u70A:
32.32
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) 		5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 1.01A 3jw3A-1u71A:
21.3		 3jw3A-1u71A:
32.46
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) 		5 ALA A   9
GLU A  30
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.53A 3jw3A-1u71A:
21.3		 3jw3A-1u71A:
32.46
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.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE

(Human
alphaherpesvirus
3) 		PF00716
(Peptidase_S21) 		5 ALA A  16
LEU A  19
VAL A 119
ILE A  46
ILE A  48
 None
 1.09A 3jw3A-1vzvA:
undetectable		 3jw3A-1vzvA:
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.
1xbt THYMIDINE KINASE,
CYTOSOLIC

(Homo sapiens) 		PF00265
(TK) 		5 ALA A  88
VAL A 119
ILE A 105
LEU A 139
ILE A  96
 None
 1.12A 3jw3A-1xbtA:
2.6		 3jw3A-1xbtA:
23.81
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) 		5 ALA A   7
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.73A 3jw3A-1zdrA:
25.8		 3jw3A-1zdrA:
52.73
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) 		5 ALA A   7
LEU A  28
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.88A 3jw3A-1zdrA:
25.8		 3jw3A-1zdrA:
52.73
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.68A 3jw3A-2blbA:
20.9		 3jw3A-2blbA:
25.31
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.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE

(Rhizobium sp.
MTP-10005) 		PF04909
(Amidohydro_2) 		5 ALA A  99
VAL A 123
ILE A 215
LEU A 321
ILE A  56
 None
 1.10A 3jw3A-2dvuA:
undetectable		 3jw3A-2dvuA:
16.62
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.
2gjv PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF09646
(Gp37) 		5 ALA A  70
LEU A 103
VAL A  10
ILE A  66
ILE A   7
 None
 1.14A 3jw3A-2gjvA:
undetectable		 3jw3A-2gjvA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ILE A  84
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
 0.79A 3jw3A-2h2qA:
19.3		 3jw3A-2h2qA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'

(Homo sapiens) 		PF03095
(PTPA) 		5 GLU A 301
LEU A 300
ILE A  52
LEU A 218
ILE A 292
 None
 1.17A 3jw3A-2ixmA:
undetectable		 3jw3A-2ixmA:
17.65
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.
2k3o TUSP1

(Nephila
antipodiana) 		PF12042
(RP1-2) 		5 ALA A  46
LEU A 107
ILE A  81
LEU A  15
ILE A  41
 None
 1.08A 3jw3A-2k3oA:
undetectable		 3jw3A-2k3oA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  33
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.81A 3jw3A-2oipA:
21.8		 3jw3A-2oipA:
16.60
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		6 LEU A 218
VAL A 361
ILE A 373
LEU A 354
ILE A 371
THR A 250
 None
 1.47A 3jw3A-2pbgA:
undetectable		 3jw3A-2pbgA:
16.34
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A   4
LEU A 101
VAL A 105
ILE A 116
ILE A 114
 None
 1.07A 3jw3A-2pwzA:
undetectable		 3jw3A-2pwzA:
20.79
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) 		9 MET A   6
ALA A   8
GLU A  28
LEU A  29
VAL A  32
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.64A 3jw3A-2qk8A:
28.4		 3jw3A-2qk8A:
98.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v1u CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13191
(AAA_16) 		5 ALA A 384
LEU A 389
VAL A 297
ILE A 311
ILE A 359
 None
 1.07A 3jw3A-2v1uA:
undetectable		 3jw3A-2v1uA:
16.49
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) 		5 ALA A  11
LEU A  32
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.55A 3jw3A-2w3wA:
23.9		 3jw3A-2w3wA:
32.76
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) 		5 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.91A 3jw3A-2w9sA:
26.0		 3jw3A-2w9sA:
43.64
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) 		5 ALA A   7
LEU A  28
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.40A 3jw3A-2w9sA:
26.0		 3jw3A-2w9sA:
43.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wcq TNF-ALPHA INDUCER
PROTEIN

(Helicobacter
pylori) 		PF16753
(Tipalpha) 		5 ALA A  93
LEU A 169
ILE A 117
LEU A 152
ILE A 176
 None
 1.18A 3jw3A-2wcqA:
undetectable		 3jw3A-2wcqA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		5 LEU A 133
VAL A 167
ILE A 108
LEU A  76
ILE A 163
 None
 1.19A 3jw3A-2x7vA:
undetectable		 3jw3A-2x7vA:
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.
3a0r SENSOR PROTEIN

(Thermotoga
maritima) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		5 ALA A 665
VAL A 742
ILE A 702
ILE A 694
THR A 666
 None
 1.09A 3jw3A-3a0rA:
undetectable		 3jw3A-3a0rA:
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.
3bf2 PUTATIVE LIPOPROTEIN

(Neisseria
meningitidis) 		PF04390
(LptE) 		5 ALA A  42
LEU A  95
VAL A  73
ILE A 149
ILE A  70
 None
 1.09A 3jw3A-3bf2A:
undetectable		 3jw3A-3bf2A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bf8 ESTERASE YBFF

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 ALA A 238
LEU A  32
VAL A  34
ILE A 248
LEU A  39
 None
 1.18A 3jw3A-3bf8A:
undetectable		 3jw3A-3bf8A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis) 		no annotation 5 ALA A 116
LEU A 155
VAL A 176
ILE A 127
LEU A 168
 None
 1.17A 3jw3A-3d37A:
undetectable		 3jw3A-3d37A:
17.91
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.
3dqz ALPHA-HYDROXYNITRILE
LYASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 LEU A   9
VAL A  10
LEU A 104
ILE A  87
THR A  65
 None
 1.14A 3jw3A-3dqzA:
undetectable		 3jw3A-3dqzA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6g ALPHA-ISOPROPYLMALAT
E SYNTHASE

(Leptospira
interrogans) 		no annotation 5 ALA B 436
LEU B 413
ILE B 446
LEU B 511
ILE B 448
 None
 1.17A 3jw3A-3f6gB:
undetectable		 3jw3A-3f6gB:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ALA A 307
LEU A 318
VAL A 257
ILE A 288
ILE A 286
 None
 0.97A 3jw3A-3fgbA:
undetectable		 3jw3A-3fgbA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkq NTRC-LIKE TWO-DOMAIN
PROTEIN

([Eubacterium]
rectale) 		PF13614
(AAA_31) 		5 LEU A  30
VAL A   5
ILE A  99
LEU A  18
ILE A  54
 None
 1.05A 3jw3A-3fkqA:
3.6		 3jw3A-3fkqA:
16.98
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.
3go5 MULTIDOMAIN PROTEIN
WITH S1 RNA-BINDING
DOMAINS

(Streptococcus
pneumoniae) 		PF13509
(S1_2) 		5 ALA A 252
LEU A 241
ILE A 228
LEU A 265
ILE A 256
 None
 1.12A 3jw3A-3go5A:
undetectable		 3jw3A-3go5A:
20.28
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		5 GLU A  33
LEU A 115
ILE A 123
LEU A  20
ILE A   8
 FAD  A 600 (-2.8A)
None
None
None
None
 1.08A 3jw3A-3i3lA:
undetectable		 3jw3A-3i3lA:
15.51
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
LEU X  28
VAL X  31
ILE X  50
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.56A 3jw3A-3i8aX:
26.1		 3jw3A-3i8aX:
44.12
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) 		8 ALA A   8
GLU A  28
LEU A  29
ILE A  51
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.64A 3jw3A-3ia4A:
26.5		 3jw3A-3ia4A:
45.06
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.
3imm PUTATIVE SECRETED
GLYCOSYLHYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		6 ALA A 131
LEU A 159
VAL A 157
ILE A 105
LEU A  74
ILE A 103
 None
 1.24A 3jw3A-3immA:
undetectable		 3jw3A-3immA:
21.03
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
GLU A  30
LEU A  31
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.53A 3jw3A-3ix9A:
26.2		 3jw3A-3ix9A:
41.49
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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 ALA A  35
LEU A  62
VAL A  64
ILE A  74
ILE A  88
 None
 1.12A 3jw3A-3jurA:
undetectable		 3jw3A-3jurA:
17.71
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.
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum) 		PF02146
(SIR2) 		5 GLU A  95
LEU A 100
ILE A 198
LEU A 247
THR A 118
 None
 1.12A 3jw3A-3jwpA:
2.0		 3jw3A-3jwpA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1t GLUTAMATE--CYSTEINE
LIGASE GSHA

(Methylobacillus
flagellatus) 		PF08886
(GshA) 		5 LEU A  98
ILE A 133
LEU A 187
TYR A 110
THR A 118
 None
None
None
None
GOL  A 445 (-2.7A)
 1.13A 3jw3A-3k1tA:
undetectable		 3jw3A-3k1tA:
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 ALA A  41
LEU A  79
VAL A  49
LEU A 108
ILE A  61
 None
MLY  A  75 ( 4.2A)
None
None
None
 1.15A 3jw3A-3ln3A:
undetectable		 3jw3A-3ln3A:
16.67
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.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		5 LEU A 227
VAL A 226
ILE A 234
ILE A 194
THR A 273
 None
None
None
None
FMN  A 313 (-3.6A)
 1.14A 3jw3A-3mhuA:
undetectable		 3jw3A-3mhuA:
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.
3ong UBIQUITIN-ACTIVATING
ENZYME E1-LIKE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 480
LEU A 529
ILE A 465
LEU A 542
ILE A 525
 None
 1.03A 3jw3A-3ongA:
undetectable		 3jw3A-3ongA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ALA B 754
ILE B 817
LEU B 778
ILE B 802
THR B 755
 None
 0.93A 3jw3A-3opyB:
undetectable		 3jw3A-3opyB:
9.65
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.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		5 ALA A 248
LEU A 282
VAL A 280
ILE A 222
ILE A 263
 IMD  A 606 ( 4.8A)
None
None
None
None
 1.13A 3jw3A-3q10A:
undetectable		 3jw3A-3q10A:
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.
3q6s CHROMOBOX PROTEIN
HOMOLOG 1

(Homo sapiens) 		PF01393
(Chromo_shadow) 		5 ALA A 144
LEU A 146
VAL A 147
LEU A 132
ILE A 122
 None
 1.19A 3jw3A-3q6sA:
undetectable		 3jw3A-3q6sA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgh GLIDEOSOME-ASSOCIATE
D PROTEIN 50

(Plasmodium
falciparum) 		PF00149
(Metallophos) 		5 ALA A 176
LEU A 206
VAL A 249
ILE A 180
LEU A 240
 None
 1.06A 3jw3A-3tghA:
undetectable		 3jw3A-3tghA:
19.38
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) 		5 ALA A   8
LEU A  29
ILE A  51
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.36A 3jw3A-3tq9A:
25.9		 3jw3A-3tq9A:
38.76
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) 		5 ALA A   8
LEU A  29
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.88A 3jw3A-3tq9A:
25.9		 3jw3A-3tq9A:
38.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqt D-ALANINE--D-ALANINE
LIGASE

(Coxiella
burnetii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A 125
VAL A 102
ILE A  78
LEU A 119
ILE A  42
 None
 1.11A 3jw3A-3tqtA:
undetectable		 3jw3A-3tqtA:
17.55
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.
3tt6 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Bacillus
subtilis) 		PF00574
(CLP_protease) 		5 ALA A  51
VAL A  87
ILE A  76
LEU A 102
ILE A  29
 None
 1.13A 3jw3A-3tt6A:
undetectable		 3jw3A-3tt6A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 MET A 178
ILE A 117
LEU A 104
ILE A 153
THR A 172
 None
 1.10A 3jw3A-3up8A:
undetectable		 3jw3A-3up8A:
19.41
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) 		5 ALA A   8
ILE A  57
ILE A 111
TYR A 117
THR A 133
 None
 0.70A 3jw3A-3vcoA:
18.1		 3jw3A-3vcoA:
33.50
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) 		5 ALA A   8
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
 1.16A 3jw3A-3vcoA:
18.1		 3jw3A-3vcoA:
33.50
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.
3w5i FERROUS IRON
TRANSPORT PROTEIN B

(Gallionella
capsiferriformans) 		PF02421
(FeoB_N) 		5 LEU A 154
VAL A 157
ILE A  43
LEU A  45
ILE A   4
 None
 1.09A 3jw3A-3w5iA:
2.1		 3jw3A-3w5iA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 127
VAL A 129
ILE A 201
LEU A  14
ILE A 197
 None
 1.03A 3jw3A-3wgkA:
2.5		 3jw3A-3wgkA:
15.86
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 ALA A 443
LEU A 462
VAL A 471
ILE A 455
ILE A 448
 None
 1.15A 3jw3A-4b8bA:
undetectable		 3jw3A-4b8bA:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ALA A  97
GLU A 129
LEU A  55
LEU A 115
ILE A 102
 None
 1.14A 3jw3A-4bqiA:
undetectable		 3jw3A-4bqiA:
11.57
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.
4eg2 CYTIDINE DEAMINASE

(Vibrio cholerae) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 ALA A 111
LEU A 139
VAL A 119
LEU A 157
ILE A 122
 None
 1.17A 3jw3A-4eg2A:
undetectable		 3jw3A-4eg2A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ALA A  79
LEU A  15
ILE A  32
LEU A 140
THR A   8
 None
 1.10A 3jw3A-4egeA:
undetectable		 3jw3A-4egeA:
16.40
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
GLU X  32
ILE X  65
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.63A 3jw3A-4g8zX:
21.1		 3jw3A-4g8zX:
28.57
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
GLU X  32
ILE X  65
LEU X  72
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 1.14A 3jw3A-4g8zX:
21.1		 3jw3A-4g8zX:
28.57
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 ALA A  10
GLU A  14
ILE A 110
ILE A 308
THR A  11
 None
 1.02A 3jw3A-4gx8A:
undetectable		 3jw3A-4gx8A:
19.75
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
GLU A  32
ILE A  62
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.73A 3jw3A-4h96A:
18.3		 3jw3A-4h96A:
34.18
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
ILE A  62
LEU A  69
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
 0.92A 3jw3A-4h96A:
18.3		 3jw3A-4h96A:
34.18
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
GLU A  32
ILE A  62
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.62A 3jw3A-4h98A:
19.3		 3jw3A-4h98A:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
GLU A  32
ILE A  62
LEU A  69
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 1.01A 3jw3A-4h98A:
19.3		 3jw3A-4h98A:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 ALA A 151
LEU A 135
VAL A 133
ILE A  89
ILE A 126
 None
 1.13A 3jw3A-4jxcA:
undetectable		 3jw3A-4jxcA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		5 MET A  58
ALA A  52
VAL A 390
ILE A  74
LEU A  95
 None
 1.16A 3jw3A-4k9sA:
undetectable		 3jw3A-4k9sA:
17.94
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.
4lyl URACIL-DNA
GLYCOSYLASE

(Gadus morhua) 		PF03167
(UDG) 		5 ALA A 287
VAL A 200
ILE A 173
LEU A 192
ILE A 141
 None
 1.13A 3jw3A-4lylA:
undetectable		 3jw3A-4lylA:
20.43
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) 		5 ALA A   7
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.44A 3jw3A-4p68A:
25.7		 3jw3A-4p68A:
39.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		5 LEU E  49
VAL E  45
ILE E  87
LEU E  90
ILE E 116
 None
 1.00A 3jw3A-4p6vE:
undetectable		 3jw3A-4p6vE:
21.82
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.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA B 302
LEU B 138
ILE B 212
LEU B 156
ILE B 131
 None
 1.08A 3jw3A-4tyhB:
undetectable		 3jw3A-4tyhB:
17.97
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.
4wrw URACIL-DNA
GLYCOSYLASE

(Mycobacterium
tuberculosis) 		PF03167
(UDG) 		5 ALA A 210
VAL A 123
ILE A  97
LEU A 115
ILE A  64
 None
 1.16A 3jw3A-4wrwA:
undetectable		 3jw3A-4wrwA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xjn NUCLEOCAPSID

(Mammalian
rubulavirus 5) 		PF00973
(Paramyxo_ncap) 		5 ALA A 174
LEU A  56
VAL A  59
LEU A 137
ILE A 218
 None
 1.07A 3jw3A-4xjnA:
undetectable		 3jw3A-4xjnA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ALA A 293
LEU A 279
VAL A 303
TYR A 216
THR A 316
 None
None
None
GGL  A 601 (-4.0A)
None
 1.09A 3jw3A-5cniA:
3.7		 3jw3A-5cniA:
14.09
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 ALA A   7
ILE A  67
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.47A 3jw3A-5dxvA:
15.4		 3jw3A-5dxvA:
34.48
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 LEU A  45
ILE A  67
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.95A 3jw3A-5dxvA:
15.4		 3jw3A-5dxvA:
34.48
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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 ALA A 552
LEU A 376
VAL A 367
ILE A 514
LEU A 274
 None
 1.18A 3jw3A-5e31A:
undetectable		 3jw3A-5e31A:
13.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 MET A   5
ALA A   7
GLU A  27
LEU A  53
TYR A 102
 5N1  A 202 (-4.8A)
5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 ( 4.7A)
None
 0.50A 3jw3A-5ecxA:
23.7		 3jw3A-5ecxA:
31.90
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN

(Snake
atadenovirus A) 		PF01696
(Adeno_E1B_55K) 		5 ALA A  40
VAL A  60
ILE A  98
LEU A 125
ILE A  62
 None
 1.00A 3jw3A-5g5nA:
undetectable		 3jw3A-5g5nA:
16.67
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A 293
LEU A 279
VAL A 303
TYR A 216
THR A 316
 None
 1.18A 3jw3A-5kznA:
3.3		 3jw3A-5kznA:
12.70
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.
5mn5 CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 127
VAL A 129
ILE A 201
LEU A  14
ILE A 197
 None
 0.99A 3jw3A-5mn5A:
undetectable		 3jw3A-5mn5A:
17.05
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 5 ALA A  98
VAL A 140
ILE A  24
LEU A 105
ILE A  22
 None
 1.08A 3jw3A-5n7qA:
undetectable		 3jw3A-5n7qA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ALA A 205
VAL A  99
ILE A  80
LEU A  77
ILE A  70
 None
 1.17A 3jw3A-5o0jA:
undetectable		 3jw3A-5o0jA:
16.07
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A 145
ILE A 100
LEU A 136
ILE A 148
THR A  42
 None
 1.07A 3jw3A-5t0lA:
21.0		 3jw3A-5t0lA:
14.91
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.
5t50 LECTIN

(Bauhinia
forficata) 		PF00139
(Lectin_legB) 		5 LEU A 174
VAL A 192
ILE A  84
LEU A  56
ILE A 197
 None
 1.13A 3jw3A-5t50A:
undetectable		 3jw3A-5t50A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u0s MEDIATOR COMPLEX
SUBUNIT 6
MEDIATOR COMPLEX
SUBUNIT 8

(Schizosaccharomyces
pombe) 		PF04934
(Med6)
PF10232
(Med8) 		5 GLU H  88
LEU F  88
ILE F  91
ILE F 115
THR H  92
 None
 1.11A 3jw3A-5u0sH:
undetectable		 3jw3A-5u0sH:
17.50
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 177
LEU A 202
VAL A 209
ILE A 195
ILE A 217
 None
 1.13A 3jw3A-5wi5A:
undetectable		 3jw3A-5wi5A:
16.98
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 ALA A 545
LEU A 570
LEU A 611
ILE A 559
THR A 542
 None
 1.08A 3jw3A-6d6yA:
undetectable		 3jw3A-6d6yA:
18.54
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.82A 3jw3A-6e4eA:
26.1		 3jw3A-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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
VAL A  31
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.49A 3jw3A-6e4eA:
26.1		 3jw3A-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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii) 		no annotation 5 ALA B  41
LEU B 176
ILE B 150
LEU B 172
ILE B   3
 None
 0.94A 3jw3A-6fahB:
undetectable		 3jw3A-6fahB:
19.21