SIMILAR PATTERNS OF AMINO ACIDS FOR 3EIG_A_MTXA200_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A  95
ALA A  98
GLU A 114
PRO A 143
ASN A  59
 None
 1.23A 3eigA-1d2eA:
undetectable		 3eigA-1d2eA:
19.13
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 ILE A   7
ALA A   9
LEU A  22
GLU A  30
SER A  59
ASN A  64
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
NAP  A 191 ( 4.1A)
None
None
None
 0.77A 3eigA-1dr6A:
30.5		 3eigA-1dr6A:
74.19
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 ILE A   7
ALA A   9
LEU A  22
GLU A  30
SER A  59
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
NAP  A 191 ( 4.1A)
None
None
None
 0.44A 3eigA-1dr6A:
30.5		 3eigA-1dr6A:
74.19
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 ILE A   7
ALA A   9
LEU A  22
SER A  59
PRO A  61
ASN A  64
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.77A 3eigA-1dr6A:
30.5		 3eigA-1dr6A:
74.19
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 ILE A   7
ALA A   9
LEU A  22
SER A  59
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.59A 3eigA-1dr6A:
30.5		 3eigA-1dr6A:
74.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjq BETA-1,4-GALACTANASE

(Humicola
insolens) 		PF07745
(Glyco_hydro_53) 		5 ILE A 125
ALA A  69
ASN A  58
LEU A  59
ARG A 119
 None
 1.20A 3eigA-1hjqA:
undetectable		 3eigA-1hjqA:
18.50
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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 122
ALA A  68
GLU A 125
PRO A 180
LEU A 149
 None
 1.34A 3eigA-1imvA:
undetectable		 3eigA-1imvA:
22.39
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.
1mi8 DNAB INTEIN

(Synechocystis
sp. PCC 6803) 		PF14890
(Intein_splicing) 		5 ILE A 151
ALA A 147
LEU A 137
GLU A  41
PRO A 140
 None
 1.17A 3eigA-1mi8A:
undetectable		 3eigA-1mi8A:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 ILE B 286
LEU B 246
GLU B 284
PRO B 242
ASN B 241
 None
 1.37A 3eigA-1pjmB:
undetectable		 3eigA-1pjmB:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		5 ILE A 107
ALA A  82
PRO A  74
LEU A 222
TYR A  57
 None
 1.33A 3eigA-1q0zA:
undetectable		 3eigA-1q0zA:
23.18
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ILE A 304
ALA A 141
LEU A 242
ARG A 257
TYR A 234
 None
 1.45A 3eigA-1qe0A:
undetectable		 3eigA-1qe0A:
18.65
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A  61
ALA A  57
LEU A   3
ASN A  32
LEU A  33
 None
 1.34A 3eigA-1qgrA:
undetectable		 3eigA-1qgrA:
12.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.38A 3eigA-1u70A:
30.3		 3eigA-1u70A:
88.17
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) 		6 ILE A   7
SER A  59
PRO A  61
ASN A  64
LEU A  67
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
None
 0.67A 3eigA-1u70A:
30.3		 3eigA-1u70A:
88.17
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
SER A  59
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
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
None
 0.58A 3eigA-1u71A:
33.0		 3eigA-1u71A:
98.39
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.
1yd7 2-KETO
ACID:FERREDOXIN
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF01855
(POR_N) 		5 ILE A  15
ALA A  22
GLU A  11
PRO A 193
ASN A 192
 None
 1.35A 3eigA-1yd7A:
undetectable		 3eigA-1yd7A:
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.
1za7 COAT PROTEIN

(Cowpea
chlorotic
mottle virus) 		PF01318
(Bromo_coat) 		5 ILE A 145
ALA A 151
LEU A  74
GLU A 176
PRO A 180
 None
 1.45A 3eigA-1za7A:
undetectable		 3eigA-1za7A:
23.71
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 ILE A   5
ALA A   7
LEU A  20
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.53A 3eigA-1zdrA:
19.7		 3eigA-1zdrA:
33.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 GLU B  45
SER B 126
ASN B  44
LEU B  43
ARG B 215
 None
 1.34A 3eigA-2bg9B:
undetectable		 3eigA-2bg9B:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
LEU A  45
SER A 120
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
NDP  A1239 (-3.6A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.73A 3eigA-2blbA:
21.6		 3eigA-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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 LEU A 134
GLU A  26
SER A 138
PRO A 204
LEU A 182
 None
 1.19A 3eigA-2gs9A:
2.6		 3eigA-2gs9A:
21.00
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.
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
 0.59A 3eigA-2h2qA:
21.5		 3eigA-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.
2j86 PROTEIN
SERINE-THREONINE
PHOSPHATASE

(Synechococcus
elongatus) 		PF13672
(PP2C_2) 		5 ILE A  83
LEU A 163
GLU A  43
SER A 120
ASN A 232
 None
 1.26A 3eigA-2j86A:
undetectable		 3eigA-2j86A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.65A 3eigA-2oipA:
22.0		 3eigA-2oipA:
17.88
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
 0.68A 3eigA-2qk8A:
21.2		 3eigA-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.
2qkd ZINC FINGER PROTEIN
ZPR1

(Mus musculus) 		PF03367
(zf-ZPR1) 		5 ILE A 361
LEU A 325
GLU A 334
SER A 412
ASN A 406
 None
None
FMT  A 778 (-4.4A)
None
FMT  A 778 (-3.8A)
 1.43A 3eigA-2qkdA:
undetectable		 3eigA-2qkdA:
19.43
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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		5 ILE A 207
GLU A 229
SER A 324
PRO A 193
LEU A 188
 None
 1.37A 3eigA-2tohA:
undetectable		 3eigA-2tohA:
19.08
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
PRO A  55
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.76A 3eigA-2w3wA:
21.2		 3eigA-2w3wA:
32.31
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
SER A  53
PRO A  55
LEU A  61
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
 0.67A 3eigA-2w3wA:
21.2		 3eigA-2w3wA:
32.31
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  20
SER A  49
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
None
None
 1.02A 3eigA-2w9sA:
20.1		 3eigA-2w9sA:
32.45
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 ILE A   5
ALA A   7
LEU A  20
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
None
 0.61A 3eigA-2w9sA:
20.1		 3eigA-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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 ILE A 137
ALA A 188
LEU A 186
SER A  73
LEU A 109
 None
 1.41A 3eigA-3bywA:
undetectable		 3eigA-3bywA:
22.00
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) 		6 ALA A   6
LEU A  19
SER A  48
PRO A  50
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.83A 3eigA-3dfrA:
20.8		 3eigA-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) 		8 ILE A  14
ALA A  16
LEU A  46
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
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)
 0.67A 3eigA-3dg8A:
21.9		 3eigA-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.
3ffh HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Listeria
innocua) 		PF00155
(Aminotran_1_2) 		5 ILE A 158
ALA A 111
LEU A 134
PRO A 299
TYR A 118
 None
 1.24A 3eigA-3ffhA:
undetectable		 3eigA-3ffhA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 369
LEU A 402
GLU A  35
GLU A  66
SER A 358
 None
 1.20A 3eigA-3h9uA:
undetectable		 3eigA-3h9uA:
18.01
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.
3hsk ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Candida
albicans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A 150
ALA A 103
LEU A 359
PRO A 126
ASN A 125
 None
 1.44A 3eigA-3hskA:
undetectable		 3eigA-3hskA:
18.87
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
LEU X  20
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
None
None
 0.79A 3eigA-3i8aX:
19.9		 3eigA-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) 		7 ILE A   6
ALA A   8
GLU A  28
SER A  50
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
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
 0.67A 3eigA-3ia4A:
20.2		 3eigA-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.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ILE A 103
GLU A 181
GLU A 174
SER A  94
LEU A  54
 None
 1.16A 3eigA-3itaA:
undetectable		 3eigA-3itaA:
20.17
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) 		6 ILE A   8
ALA A  10
LEU A  23
GLU A  30
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
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)
 0.69A 3eigA-3ix9A:
20.7		 3eigA-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.
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
 0.70A 3eigA-3kjrA:
22.1		 3eigA-3kjrA:
23.02
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
PRO A  74
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.92A 3eigA-3kjrA:
22.1		 3eigA-3kjrA:
23.02
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.
3n2e SHIKIMATE KINASE

(Helicobacter
pylori) 		PF01202
(SKI) 		5 ILE A  76
ALA A  18
LEU A  97
GLU A  60
LEU A  88
 None
 1.25A 3eigA-3n2eA:
undetectable		 3eigA-3n2eA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pic CIP2

(Trichoderma
reesei) 		no annotation 5 ILE A 195
GLU A 260
PRO A 152
ARG A 293
TYR A 197
 None
 1.34A 3eigA-3picA:
undetectable		 3eigA-3picA:
17.62
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.
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
 0.69A 3eigA-3rg9A:
21.8		 3eigA-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.
3rrv ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ILE A  86
ALA A 230
LEU A 150
GLU A  91
SER A 117
 None
 1.08A 3eigA-3rrvA:
undetectable		 3eigA-3rrvA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		5 LEU A 183
GLU A 185
GLU A 147
ASN A 149
LEU A 111
 None
 1.32A 3eigA-3rxzA:
undetectable		 3eigA-3rxzA:
20.72
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
LEU A  21
SER A  50
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.77A 3eigA-3tq9A:
20.6		 3eigA-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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 151
ALA A 227
PRO A 215
ASN A 216
LEU A 162
 None
 1.38A 3eigA-3tqpA:
undetectable		 3eigA-3tqpA:
18.60
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
LEU A  46
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 ( 4.4A)
None
None
None
None
 0.66A 3eigA-3um6A:
21.9		 3eigA-3um6A:
13.98
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
 0.51A 3eigA-3vcoA:
24.1		 3eigA-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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		5 ILE A 287
ALA A 281
LEU A 104
GLU A 180
PRO A 134
 None
 1.36A 3eigA-3vusA:
undetectable		 3eigA-3vusA:
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.
3zfc CHROMOSOME-ASSOCIATE
D KINESIN KIF4

(Mus musculus) 		PF00225
(Kinesin) 		5 ALA A 331
LEU A  14
GLU A 323
PRO A 316
LEU A 321
 None
 1.37A 3eigA-3zfcA:
undetectable		 3eigA-3zfcA:
19.54
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.
4boo ACETYLCHOLINE
RECEPTOR BETA
SUBUNIT

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 GLU B  45
SER B 126
ASN B  44
LEU B  43
ARG B 215
 None
 1.34A 3eigA-4booB:
undetectable		 3eigA-4booB:
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		5 ILE A 287
ALA A 281
LEU A 104
GLU A 180
PRO A 134
 None
 1.38A 3eigA-4f9dA:
undetectable		 3eigA-4f9dA:
13.93
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
LEU X  25
GLU X  32
SER X  64
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
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
 0.87A 3eigA-4g8zX:
24.7		 3eigA-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) 		6 ILE A   9
ALA A  11
GLU A  32
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
None
None
None
 0.48A 3eigA-4h96A:
20.4		 3eigA-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 ILE A   9
ALA A  11
PRO A  63
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
None
None
None
 0.89A 3eigA-4h96A:
20.4		 3eigA-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 ILE A   9
SER A  61
PRO A  63
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 (-3.9A)
None
None
None
None
 0.79A 3eigA-4h96A:
20.4		 3eigA-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) 		9 ILE A   9
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 (-4.1A)
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
 0.78A 3eigA-4h98A:
21.1		 3eigA-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.
4iru LEPB

(Legionella
pneumophila) 		no annotation 5 ILE A 584
ALA A 587
GLU A 561
ASN A 563
LEU A 562
 None
None
None
GOL  A 905 ( 4.4A)
K  A 911 (-4.8A)
 1.38A 3eigA-4iruA:
undetectable		 3eigA-4iruA:
17.92
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 5 ILE A 584
ALA A 587
GLU A 561
ASN A 563
LEU A 562
 None
 1.39A 3eigA-4jw1A:
undetectable		 3eigA-4jw1A:
16.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
SER A  49
PRO A  51
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
None
 0.68A 3eigA-4m2xA:
20.5		 3eigA-4m2xA:
32.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  20
LEU A  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.68A 3eigA-4m7vA:
20.0		 3eigA-4m7vA:
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1
GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ALA B 116
GLU A 138
SER B 145
LEU A 135
TYR A 117
 None
 1.26A 3eigA-4mrmB:
2.4		 3eigA-4mrmB:
18.27
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.
4oec GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermococcus
kodakarensis) 		PF03009
(GDPD) 		5 ILE A 130
ALA A 137
GLU A  39
ASN A  22
LEU A  40
 None
None
MG  A 401 (-2.6A)
None
None
 1.37A 3eigA-4oecA:
undetectable		 3eigA-4oecA:
23.33
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 ILE A   5
ALA A   7
SER A  49
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-3.0A)
None
 0.66A 3eigA-4p68A:
20.0		 3eigA-4p68A:
31.91
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A 386
LEU A 275
GLU A 389
PRO A 180
ARG A  89
 None
None
MVL  A 501 (-2.8A)
None
None
 1.27A 3eigA-4re2A:
undetectable		 3eigA-4re2A:
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A2674
LEU A2644
GLU A2713
SER A2650
LEU A2712
 None
None
ADP  A4406 ( 4.3A)
None
None
 1.43A 3eigA-4rh7A:
undetectable		 3eigA-4rh7A:
4.36
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 ALA A 268
LEU A 111
PRO A  32
ASN A  33
LEU A  34
 None
 1.38A 3eigA-4rxmA:
undetectable		 3eigA-4rxmA:
19.72
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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		5 ALA A 144
GLU A 135
SER A 128
PRO A 130
LEU A 405
 None
 1.22A 3eigA-4tpnA:
undetectable		 3eigA-4tpnA:
19.50
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.
4uzg SURFACE PROTEIN SPB1

(Streptococcus
agalactiae) 		no annotation 5 ALA A 318
LEU A 325
GLU A 416
ASN A 453
LEU A 441
 None
 1.34A 3eigA-4uzgA:
undetectable		 3eigA-4uzgA:
21.18
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.
4v23 MATRIX PROTEIN

(Respiratory
syncytial virus) 		PF03393
(Pneumo_matrix) 		5 ILE A 204
LEU A 226
PRO A 196
ASN A   6
LEU A   8
 None
 1.39A 3eigA-4v23A:
undetectable		 3eigA-4v23A:
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.
4y13 TRANSCRIPTIONAL
REGULATOR OF FTSQAZ
GENE CLUSTER

(Escherichia
coli) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		5 ALA A 110
LEU A 106
ASN A  87
LEU A  93
TYR A  63
 GOL  A 304 (-2.8A)
480  A 303 ( 4.5A)
None
None
480  A 303 (-4.3A)
 1.35A 3eigA-4y13A:
undetectable		 3eigA-4y13A:
17.79
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 ALA A 724
GLU A 745
PRO A 736
ASN A 739
LEU A 743
 None
 1.25A 3eigA-4yplA:
undetectable		 3eigA-4yplA:
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 ALA A 724
LEU A 600
GLU A 745
PRO A 736
LEU A 743
 None
 1.20A 3eigA-4yplA:
undetectable		 3eigA-4yplA:
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE B 442
GLU B 117
GLU B 196
PRO B 189
LEU B 179
 SF4  B 502 ( 4.2A)
SF4  B 502 (-2.5A)
None
None
None
 1.42A 3eigA-4yryB:
undetectable		 3eigA-4yryB:
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.
5dmr EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1
REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H P80

(Murine leukemia
virus;
Mus musculus) 		PF00075
(RNase_H)
PF03465
(eRF1_3) 		5 ILE B 294
ALA A 591
LEU A 621
GLU B 398
TYR A 586
 None
 1.43A 3eigA-5dmrB:
undetectable		 3eigA-5dmrB:
21.24
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
 0.62A 3eigA-5dxvA:
12.0		 3eigA-5dxvA:
27.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A 288
ALA A 291
LEU A 336
PRO A 674
ASN A 649
 None
 1.30A 3eigA-5e9aA:
undetectable		 3eigA-5e9aA:
14.42
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.
5ewp ARO (ARMADILLO
REPEATS ONLY
PROTEIN)

(Plasmodium
falciparum) 		no annotation 5 ILE A  81
ALA A  83
LEU A 117
GLU A  53
ARG A  41
 None
 1.33A 3eigA-5ewpA:
undetectable		 3eigA-5ewpA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
LEU A  55
ARG A  58
TYR A 101
 None
 1.19A 3eigA-5fdaA:
14.5		 3eigA-5fdaA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
SER A  50
LEU A  55
TYR A 101
 None
 0.59A 3eigA-5fdaA:
14.5		 3eigA-5fdaA:
31.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ALA A2018
SER A2052
PRO A2050
ASN A2196
TYR A1982
 None
 1.42A 3eigA-5i6hA:
undetectable		 3eigA-5i6hA:
8.15
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 453
GLU L 126
GLU L 210
PRO L 203
LEU L 193
 SF4  L 501 ( 4.4A)
SF4  L 501 (-2.3A)
None
None
None
 1.29A 3eigA-5jfcL:
undetectable		 3eigA-5jfcL:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 ILE A 698
LEU A 478
GLU A 683
SER A 472
PRO A 536
 None
 1.16A 3eigA-5l46A:
undetectable		 3eigA-5l46A:
12.22
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ILE A 158
LEU A 202
GLU A 256
PRO A 178
ARG A 259
 None
 0.83A 3eigA-5li8A:
undetectable		 3eigA-5li8A:
17.46
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 557
ALA A 590
LEU A 454
GLU A 537
SER A 471
 None
 1.45A 3eigA-5neuA:
undetectable		 3eigA-5neuA:
15.57
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.
5o2d POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		no annotation 5 ILE A1112
LEU A1137
GLU A1146
PRO A1140
ASN A1142
 None
 1.32A 3eigA-5o2dA:
undetectable		 3eigA-5o2dA:
23.73
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.
5oge GDP-MANNOSE
TRANSPORTER 1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 265
SER A 102
ASN A  51
LEU A  55
TYR A 281
 None
 1.00A 3eigA-5ogeA:
undetectable		 3eigA-5ogeA:
18.21
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
LEU A  23
SER A  86
PRO A  88
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
None
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
None
 0.60A 3eigA-5t0lA:
23.6		 3eigA-5t0lA:
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.
5vfe SYNAPTOTAGMIN-1

(Mus musculus) 		no annotation 5 ILE A 162
ALA A 227
GLU A 258
PRO A 246
LEU A 149
 None
 1.24A 3eigA-5vfeA:
undetectable		 3eigA-5vfeA:
17.20
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.
5xd6 PROTEIN KINASE
SUPERFAMILY PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ILE A 215
LEU A 266
GLU A 185
PRO A 336
ASN A 337
 None
 1.23A 3eigA-5xd6A:
undetectable		 3eigA-5xd6A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 5 ILE A 506
ALA A 530
SER A 441
LEU A 410
ARG A 413
 None
None
MG  A 802 ( 3.6A)
None
None
 1.19A 3eigA-5yjjA:
undetectable		 3eigA-5yjjA:
22.03
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 5 ILE A 298
ALA A 292
LEU A 243
GLU A 283
PRO A 246
 None
 1.28A 3eigA-6b2wA:
undetectable		 3eigA-6b2wA:
24.84
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 5 ILE A 298
ALA A 292
LEU A 243
PRO A 246
ASN A 281
 None
 1.19A 3eigA-6b2wA:
undetectable		 3eigA-6b2wA:
24.84
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 5 LEU A 539
GLU A 550
PRO A 518
ASN A 519
LEU A 555
 None
 1.39A 3eigA-6b3bA:
undetectable		 3eigA-6b3bA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
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
 0.66A 3eigA-6cxmA:
19.6		 3eigA-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.
6gy6 -

(-) 		no annotation 5 ILE B  16
ALA B 301
LEU B 132
SER B  63
LEU B 339
 None
 1.09A 3eigA-6gy6B:
undetectable		 3eigA-6gy6B:
undetectable