SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_A_MTXA164_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
 None
 0.94A 3ia4A-1cz3A:
20.2		 3ia4A-1cz3A:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ALA A   9
GLU A  30
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.93A 3ia4A-1dr6A:
21.0		 3ia4A-1dr6A:
32.64
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 LEU A 507
SER A 299
ILE A 298
ARG A 413
LEU A 442
 None
 1.32A 3ia4A-1gz4A:
undetectable		 3ia4A-1gz4A:
15.68
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 MET A 154
LEU A  71
ILE A  91
LEU A  95
ARG A 131
 None
 1.34A 3ia4A-1iy9A:
0.4		 3ia4A-1iy9A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  37
LYS A  41
SER A  58
LEU A  63
ARG A  66
 None
None
NDP  A 194 ( 3.9A)
None
None
 1.23A 3ia4A-1juvA:
18.3		 3ia4A-1juvA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 159
MET A 223
SER A 174
ILE A 173
LEU A 129
 None
 1.03A 3ia4A-1ljyA:
undetectable		 3ia4A-1ljyA:
17.37
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B
CYTOLETHAL
DISTENDING TOXIN
PROTEIN C
CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03372
(Exo_endo_phos)
PF03498
(CDtoxinA) 		5 ALA A 219
LEU C  45
SER B 268
ILE C 166
LEU C  42
 None
 1.31A 3ia4A-1sr4A:
undetectable		 3ia4A-1sr4A:
21.23
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) 		7 ALA A   9
GLU A  30
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.82A 3ia4A-1u70A:
20.7		 3ia4A-1u70A:
31.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
GLU A  30
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
None
 0.82A 3ia4A-1u71A:
20.9		 3ia4A-1u71A:
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.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 ALA A 278
MET A 264
ILE A 190
LEU A 131
TYR A 283
 None
 1.16A 3ia4A-1v0bA:
undetectable		 3ia4A-1v0bA:
21.05
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ALA A 552
LEU A 598
SER A 636
ILE A 639
LEU A 643
 None
 1.16A 3ia4A-1wacA:
undetectable		 3ia4A-1wacA:
13.18
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.
1xx4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 ALA A 139
GLU A 165
LEU A 193
LYS A 177
ILE A 184
 None
 1.35A 3ia4A-1xx4A:
undetectable		 3ia4A-1xx4A:
21.84
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
LYS A  32
LEU A  54
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 3ia4A-1zdrA:
25.1		 3ia4A-1zdrA:
46.99
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
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.62A 3ia4A-1zdrA:
25.1		 3ia4A-1zdrA:
46.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 1.02A 3ia4A-2blbA:
20.3		 3ia4A-2blbA:
24.29
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.57A 3ia4A-2blbA:
20.3		 3ia4A-2blbA:
24.29
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 MET A 254
GLU A 302
LEU A 306
GLN A 305
LEU A 289
 None
 1.44A 3ia4A-2chqA:
undetectable		 3ia4A-2chqA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
None
 0.97A 3ia4A-2h2qA:
19.4		 3ia4A-2h2qA:
17.43
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.
2i71 HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF09455
(Cas_DxTHG) 		5 LYS A 191
SER A 280
ILE A 279
LEU A 223
TYR A 107
 None
 1.39A 3ia4A-2i71A:
undetectable		 3ia4A-2i71A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		5 ALA A 122
LEU A  91
ILE A 106
LEU A  32
TYR A 171
 None
 1.17A 3ia4A-2iy8A:
undetectable		 3ia4A-2iy8A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nnu BROMODOMAIN-CONTAINI
NG PROTEIN 4
REGULATORY PROTEIN
E2

(Alphapapillomavirus
9;
Homo sapiens) 		PF00508
(PPV_E2_N)
PF17105
(BRD4_CDT) 		5 ALA A  69
LEU A  38
SER B1355
ILE B1356
LEU A   4
 None
 1.45A 3ia4A-2nnuA:
undetectable		 3ia4A-2nnuA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.76A 3ia4A-2oipA:
21.2		 3ia4A-2oipA:
15.08
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 107
SER A 287
ILE A 286
ARG A 259
LEU A 255
 None
 1.39A 3ia4A-2qgyA:
undetectable		 3ia4A-2qgyA:
15.71
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) 		10 ALA A   8
GLU A  28
LEU A  29
GLN A  30
LYS A  33
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.60A 3ia4A-2qk8A:
26.0		 3ia4A-2qk8A:
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 ALA A 788
MET A 525
GLU A 790
GLN A 794
ARG A 774
 None
 1.13A 3ia4A-2vf8A:
undetectable		 3ia4A-2vf8A:
11.14
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
LEU A  32
SER A  53
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.99A 3ia4A-2w3wA:
24.5		 3ia4A-2w3wA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.63A 3ia4A-2w9sA:
25.8		 3ia4A-2w9sA:
41.21
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 LYS A  30
ILE A 472
ARG A 469
LEU A 500
TYR A 510
 None
 1.43A 3ia4A-2yheA:
undetectable		 3ia4A-2yheA:
13.60
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		5 ALA A  24
GLU A  58
GLN A 202
ILE A  81
LEU A  37
 None
 1.23A 3ia4A-2ynkA:
undetectable		 3ia4A-2ynkA:
15.35
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 ALA A 640
ILE A 464
ARG A 463
LEU A 630
ARG A 633
 None
 1.34A 3ia4A-2yr5A:
undetectable		 3ia4A-2yr5A:
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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 GLN A  95
SER A 415
ILE A 416
LEU A  70
TYR A 437
 None
 1.09A 3ia4A-3c3vA:
undetectable		 3ia4A-3c3vA:
14.42
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  27
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)
 0.82A 3ia4A-3dfrA:
24.1		 3ia4A-3dfrA:
37.65
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.93A 3ia4A-3dg8A:
20.4		 3ia4A-3dg8A:
24.91
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.
3gcd RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		5 ALA A  47
LEU A 175
SER A 136
ILE A 137
LEU A 142
 AZ0  A 213 (-3.8A)
AZ0  A 213 (-3.4A)
IHP  A 214 (-2.9A)
None
None
 1.18A 3ia4A-3gcdA:
undetectable		 3ia4A-3gcdA:
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.
3hv9 PROTEIN FIMX

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 539
GLN A 577
SER A 595
ILE A 594
LEU A 610
 None
None
GOL  A 903 (-2.5A)
None
None
 1.15A 3ia4A-3hv9A:
undetectable		 3ia4A-3hv9A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A

(Drosophila
melanogaster) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 ALA A 405
LEU A 421
LYS A 422
ILE A 443
LEU A 492
 None
 1.41A 3ia4A-3i2tA:
undetectable		 3ia4A-3i2tA:
14.18
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
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
None
 0.62A 3ia4A-3i8aX:
25.6		 3ia4A-3i8aX:
40.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LYS X  32
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 0.91A 3ia4A-3i8aX:
25.6		 3ia4A-3i8aX:
40.12
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.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 420
GLU A 280
GLN A 266
ILE A 341
LEU A 345
 None
None
EDO  A 558 (-3.1A)
None
None
 1.46A 3ia4A-3ihvA:
undetectable		 3ia4A-3ihvA:
15.44
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
ARG A  56
LEU A  58
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.0A)
 0.97A 3ia4A-3ix9A:
25.2		 3ia4A-3ix9A:
33.85
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 ALA A  10
GLU A  30
LEU A  31
LYS A  35
LEU A  58
ARG A  61
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.34A 3ia4A-3ix9A:
25.2		 3ia4A-3ix9A:
33.85
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.
3jcl SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 ALA A1004
LYS A 770
SER A1071
ILE A1068
LEU A 811
 None
 1.37A 3ia4A-3jclA:
undetectable		 3ia4A-3jclA:
8.70
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
ILE A  73
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.86A 3ia4A-3kjrA:
20.8		 3ia4A-3kjrA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.56A 3ia4A-3kjrA:
20.8		 3ia4A-3kjrA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 ALA A 263
LEU A  12
LYS A  16
SER A 293
ILE A 327
 None
 1.43A 3ia4A-3l0zA:
undetectable		 3ia4A-3l0zA:
19.66
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.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ALA A 298
MET A 284
ILE A 209
LEU A 150
TYR A 303
 None
 1.19A 3ia4A-3nizA:
undetectable		 3ia4A-3nizA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oxp PHOSPHOTRANSFERASE
ENZYME II, A
COMPONENT

(Yersinia pestis) 		PF00359
(PTS_EIIA_2) 		5 ALA A  36
LEU A   5
SER A 110
LEU A 118
TYR A  41
 None
 1.25A 3ia4A-3oxpA:
undetectable		 3ia4A-3oxpA:
24.18
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
SER A  89
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
None
None
 0.80A 3ia4A-3rg9A:
19.2		 3ia4A-3rg9A:
29.22
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.
3rhf PUTATIVE
POLYPHOSPHATE KINASE
2 FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF03976
(PPK2) 		5 ALA A 237
LEU A 171
GLN A 174
SER A 138
LEU A 119
 None
 1.19A 3ia4A-3rhfA:
undetectable		 3ia4A-3rhfA:
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.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		5 ALA A 235
SER A 317
ILE A 201
ARG A 288
LEU A 284
 None
 1.42A 3ia4A-3t32A:
undetectable		 3ia4A-3t32A:
17.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   7
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.85A 3ia4A-3tq9A:
25.8		 3ia4A-3tq9A:
43.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
LYS A  33
SER A  50
ILE A  51
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
 0.56A 3ia4A-3tq9A:
25.8		 3ia4A-3tq9A:
43.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.43A 3ia4A-3tq9A:
25.8		 3ia4A-3tq9A:
43.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
LYS A  33
SER A  56
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.91A 3ia4A-3vcoA:
18.4		 3ia4A-3vcoA:
27.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 ALA A 569
GLU A 570
SER A 729
ILE A 703
LEU A 675
 None
 1.21A 3ia4A-3vtaA:
undetectable		 3ia4A-3vtaA:
14.12
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 5 ALA A 150
LEU A 302
SER A 141
ILE A 138
LEU A 309
 None
 1.43A 3ia4A-3wvrA:
undetectable		 3ia4A-3wvrA:
15.77
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.
4ack TSSL

(Francisella
tularensis) 		PF09850
(DotU) 		5 LEU A  66
GLN A  90
SER A  41
ILE A  38
ARG A  35
 None
None
BR  A1156 (-3.1A)
BR  A1156 ( 4.8A)
None
 1.35A 3ia4A-4ackA:
undetectable		 3ia4A-4ackA:
21.39
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ALA B1750
LEU B1674
SER B1879
ILE B1876
LEU B1770
 None
 1.11A 3ia4A-4bedB:
undetectable		 3ia4A-4bedB:
7.49
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.
4brz HALOALKANE
DEHALOGENASE

(Rhodobacteraceae) 		PF00561
(Abhydrolase_1) 		5 LEU A  42
SER A 176
ILE A 177
ARG A 179
LEU A 181
 None
 1.31A 3ia4A-4brzA:
undetectable		 3ia4A-4brzA:
20.58
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 244
LEU A  61
LYS A 220
ILE A  99
ARG A  98
 None
 1.17A 3ia4A-4c2tA:
undetectable		 3ia4A-4c2tA:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmy FERRITIN

(Chlorobaculum
tepidum) 		PF00210
(Ferritin) 		5 ALA A  18
LEU A  57
LYS A  56
SER A 100
ILE A 101
 None
 1.42A 3ia4A-4cmyA:
undetectable		 3ia4A-4cmyA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ef1 PHEROMONE
COB1/LIPOPROTEIN,
YAEC FAMILY

(Enterococcus
faecalis) 		PF03180
(Lipoprotein_9) 		5 ALA A 217
LEU A 122
GLN A 123
ILE A 131
TYR A 191
 None
 1.41A 3ia4A-4ef1A:
undetectable		 3ia4A-4ef1A:
23.53
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
GLU X  32
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.75A 3ia4A-4g8zX:
20.1		 3ia4A-4g8zX:
29.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ALA A  11
MET A  25
GLU A  32
LYS A  37
SER A  61
ILE A  62
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
None
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
 1.13A 3ia4A-4h96A:
18.0		 3ia4A-4h96A:
35.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ALA A  11
MET A  25
GLU A  32
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.93A 3ia4A-4h96A:
18.0		 3ia4A-4h96A:
35.60
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) 		7 ALA A  11
GLU A  32
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
 0.69A 3ia4A-4h98A:
19.3		 3ia4A-4h98A:
32.65
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) 		5 ALA A   7
SER A  49
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.6A)
None
None
None
 0.69A 3ia4A-4m2xA:
22.9		 3ia4A-4m2xA:
35.50
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.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 ALA A 109
SER A  70
ILE A  73
LEU A  85
TYR A 125
 None
 1.28A 3ia4A-4m3nA:
undetectable		 3ia4A-4m3nA:
21.92
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.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 ALA A 256
LEU A 274
SER A  38
ILE A  33
ARG A 222
 None
 0.95A 3ia4A-4mjzA:
undetectable		 3ia4A-4mjzA:
15.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
MET A  20
LYS A  32
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 ( 3.9A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.57A 3ia4A-4p68A:
28.0		 3ia4A-4p68A:
55.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		5 LEU A 227
GLN A 228
SER A 265
ILE A 378
LEU A 279
 None
 1.45A 3ia4A-4ru4A:
undetectable		 3ia4A-4ru4A:
14.55
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 ALA A 130
LEU A 121
GLN A 122
ILE A 189
LEU A 154
 None
 1.45A 3ia4A-4rxlA:
2.4		 3ia4A-4rxlA:
23.65
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.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		5 ALA B 302
GLN B 133
SER B 208
ILE B 212
LEU B 216
 None
 1.37A 3ia4A-4tyhB:
undetectable		 3ia4A-4tyhB:
17.28
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 279
LEU A 275
ILE A 309
LEU A 267
TYR A 463
 None
 1.13A 3ia4A-4ud8A:
undetectable		 3ia4A-4ud8A:
16.47
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.
4xbk DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Lactobacillus
brevis) 		PF01791
(DeoC) 		5 ALA A 206
GLN A   7
SER A 194
ILE A 217
LEU A 218
 None
 1.43A 3ia4A-4xbkA:
undetectable		 3ia4A-4xbkA:
20.15
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU A 323
SER A 256
ILE A 356
LEU A 184
ARG A 187
 None
 1.13A 3ia4A-5bz4A:
undetectable		 3ia4A-5bz4A:
18.38
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.
5cv1 P GRANULE
ABNORMALITY PROTEIN
1

(Caenorhabditis
elegans) 		no annotation 5 ALA A 432
LEU A 314
GLN A 358
SER A 398
ILE A 399
 None
 1.42A 3ia4A-5cv1A:
undetectable		 3ia4A-5cv1A:
22.86
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   6
SER A  66
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 0.94A 3ia4A-5dxvA:
16.3		 3ia4A-5dxvA:
42.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.73A 3ia4A-5dxvA:
16.3		 3ia4A-5dxvA:
42.31
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
LEU A  71
ARG A  74
TYR A 117
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
 1.01A 3ia4A-5dxvA:
16.3		 3ia4A-5dxvA:
42.31
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 ALA A   8
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.88A 3ia4A-5fdaA:
19.0		 3ia4A-5fdaA:
57.06
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.
5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Cyanothece sp.
ATCC 51142) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ALA A  43
MET A  64
GLN A  86
ILE A  77
LEU A  82
 None
 1.38A 3ia4A-5gr1A:
undetectable		 3ia4A-5gr1A:
11.45
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.
5jd0 ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 987
GLN A1065
ILE A 922
ARG A 958
LEU A 954
 None
 1.44A 3ia4A-5jd0A:
undetectable		 3ia4A-5jd0A:
18.75
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 LEU A  17
LYS A  15
ILE A 779
LEU A 877
TYR A 595
 None
G  B   0 ( 2.8A)
None
None
None
 1.28A 3ia4A-5kk5A:
undetectable		 3ia4A-5kk5A:
7.65
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.
5mlc 50S RIBOSOMAL
PROTEIN L23,
CHLOROPLASTIC
50S RIBOSOMAL
PROTEIN L29,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00276
(Ribosomal_L23)
PF00831
(Ribosomal_L29) 		5 ALA V 174
LEU V 115
GLN V 113
ILE V 191
LEU Z  92
 None
 1.28A 3ia4A-5mlcV:
undetectable		 3ia4A-5mlcV:
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 5 ALA A  60
GLN A  25
ILE A 241
LEU A 249
TYR A  63
 None
None
None
None
1Y8  A 301 ( 3.6A)
 1.20A 3ia4A-5nxyA:
undetectable		 3ia4A-5nxyA:
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.
5o60 50S RIBOSOMAL
PROTEIN L5

(Mycolicibacterium
smegmatis) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		5 ALA F 167
LEU F 177
ILE F  19
ARG F  14
TYR F  29
 None
 1.44A 3ia4A-5o60F:
undetectable		 3ia4A-5o60F:
18.78
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.
5oj7 NAD-DEPENDENT
PROTEIN DEACYLASE

(Xenopus
tropicalis) 		no annotation 5 LEU A 262
GLN A 263
ILE A 281
LEU A 294
TYR A 246
 None
 1.36A 3ia4A-5oj7A:
undetectable		 3ia4A-5oj7A:
19.51
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
SER A  86
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
NDP  A 702 (-3.8A)
None
None
None
 0.68A 3ia4A-5t0lA:
20.5		 3ia4A-5t0lA:
15.96
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLU B  40
LEU B  39
ILE B 317
LEU B 168
TYR B 336
 None
 1.37A 3ia4A-5thzB:
undetectable		 3ia4A-5thzB:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ujs UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF00275
(EPSP_synthase) 		5 ALA A  71
SER A  31
ILE A  33
ARG A 104
LEU A  78
 None
 1.44A 3ia4A-5ujsA:
undetectable		 3ia4A-5ujsA:
17.63
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.
5wuq ECF RNA POLYMERASE
SIGMA FACTOR SIGW

(Bacillus
subtilis) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 ALA A  52
LEU A  34
GLN A  33
ILE A 161
LEU A 153
 None
 1.12A 3ia4A-5wuqA:
undetectable		 3ia4A-5wuqA:
24.38
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.
5wuq ECF RNA POLYMERASE
SIGMA FACTOR SIGW

(Bacillus
subtilis) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 ALA A  52
LEU A  34
GLN A  33
LYS A  30
ILE A 161
 None
 1.29A 3ia4A-5wuqA:
undetectable		 3ia4A-5wuqA:
24.38
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.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 ALA M 520
SER M 701
ILE M 700
ARG M 301
LEU M 297
 None
 1.42A 3ia4A-5xtbM:
undetectable		 3ia4A-5xtbM:
13.68
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
LEU A  29
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 1.04A 3ia4A-6cxmA:
21.4		 3ia4A-6cxmA:
29.08
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.77A 3ia4A-6cxmA:
21.4		 3ia4A-6cxmA:
29.08
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.47A 3ia4A-6e4eA:
25.7		 3ia4A-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
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.67A 3ia4A-6e4eA:
25.7		 3ia4A-6e4eA:
undetectable