SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_A_MTXA164

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a3g BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		4 ILE A 225
PHE A 200
ILE A 226
THR A 281
 None
 1.12A 3ia4A-1a3gA:
undetectable		 3ia4A-1a3gA:
18.77
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.
1bc5 CHEMOTAXIS RECEPTOR
METHYLTRANSFERASE

(Salmonella
enterica) 		PF01739
(CheR)
PF03705
(CheR_N) 		4 ILE A  34
PHE A  85
ILE A  30
THR A  90
 None
None
None
SAH  A 287 (-3.5A)
 1.16A 3ia4A-1bc5A:
undetectable		 3ia4A-1bc5A:
20.59
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		4 ILE A 198
PHE A 157
ILE A 197
THR A  64
 None
 1.16A 3ia4A-1cnsA:
undetectable		 3ia4A-1cnsA:
19.35
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.
1d1p TYROSINE PHOSPHATASE

(Saccharomyces
cerevisiae) 		PF01451
(LMWPc) 		4 ILE A 130
PHE A 116
ILE A 148
THR A 128
 None
 1.07A 3ia4A-1d1pA:
undetectable		 3ia4A-1d1pA:
23.96
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.
1g5g FUSION PROTEIN

(Avian
avulavirus 1) 		PF00523
(Fusion_gly) 		4 ILE A 285
PHE A 221
ILE A  61
THR A 231
 None
 1.07A 3ia4A-1g5gA:
undetectable		 3ia4A-1g5gA:
16.53
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.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		4 ILE A 782
PHE A 719
ILE A 735
THR A 731
 None
 1.14A 3ia4A-1gyuA:
undetectable		 3ia4A-1gyuA:
19.30
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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		4 ILE A 331
PHE A 124
ILE A 326
THR A 334
 None
 1.06A 3ia4A-1imvA:
undetectable		 3ia4A-1imvA:
18.67
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Ovis aries) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 ILE A 232
PHE A 219
ILE A 197
THR A 225
 None
 1.04A 3ia4A-1pgpA:
2.6		 3ia4A-1pgpA:
15.55
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		4 ILE A 354
PHE A 358
ILE A 376
THR A 362
 None
 1.13A 3ia4A-1szqA:
undetectable		 3ia4A-1szqA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		4 ILE A 588
PHE A 651
ILE A 611
THR A 581
 None
 1.12A 3ia4A-1uusA:
undetectable		 3ia4A-1uusA:
17.47
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.
1wlt 176AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Sulfurisphaera
tokodaii) 		PF00908
(dTDP_sugar_isom) 		4 ILE A  72
PHE A  36
ILE A  15
THR A 133
 None
 1.12A 3ia4A-1wltA:
undetectable		 3ia4A-1wltA:
24.76
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.
1y3j COPPER-TRANSPORTING
ATPASE 1

(Homo sapiens) 		PF00403
(HMA) 		4 ILE A  61
PHE A  66
ILE A  21
THR A  69
 None
 1.17A 3ia4A-1y3jA:
undetectable		 3ia4A-1y3jA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yub RRNA
METHYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00398
(RrnaAD) 		4 ILE A  97
PHE A  89
ILE A  36
THR A  32
 None
 1.04A 3ia4A-1yubA:
undetectable		 3ia4A-1yubA:
20.16
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) 		4 ILE A   5
PHE A  31
ILE A  96
THR A 115
 None
SO4  A3486 (-4.1A)
None
None
 0.28A 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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		4 ILE A 161
PHE A  90
ILE A  69
THR A 158
 None
 1.17A 3ia4A-2a9vA:
undetectable		 3ia4A-2a9vA:
24.42
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		4 ILE A 528
PHE A 395
ILE A 525
THR A 399
 None
 0.88A 3ia4A-2b0tA:
undetectable		 3ia4A-2b0tA:
13.28
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.
2b9u HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Sulfurisphaera
tokodaii) 		PF00908
(dTDP_sugar_isom) 		4 ILE A  72
PHE A  36
ILE A  15
THR A 133
 None
 1.10A 3ia4A-2b9uA:
undetectable		 3ia4A-2b9uA:
22.11
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		4 ILE A  13
PHE A  57
ILE A 173
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 ( 4.1A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.31A 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.
2ebw DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16589
(BRCT_2) 		4 ILE A  54
PHE A  49
ILE A 114
THR A  88
 None
 1.16A 3ia4A-2ebwA:
undetectable		 3ia4A-2ebwA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		4 ILE A 188
PHE A 164
ILE A 194
THR A 149
 None
 0.96A 3ia4A-2gu0A:
undetectable		 3ia4A-2gu0A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		4 ILE A 233
PHE A 304
ILE A 200
THR A 231
 None
 0.96A 3ia4A-2i7gA:
undetectable		 3ia4A-2i7gA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 278
PHE A 254
ILE A 125
THR A 282
 None
 1.06A 3ia4A-2jamA:
undetectable		 3ia4A-2jamA:
21.66
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 279
PHE A 255
ILE A 125
THR A 283
 None
 1.07A 3ia4A-2jc6A:
undetectable		 3ia4A-2jc6A:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mbg RALA-BINDING PROTEIN
1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 ILE A 322
PHE A 360
ILE A 318
THR A 362
 None
 1.03A 3ia4A-2mbgA:
undetectable		 3ia4A-2mbgA:
19.70
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 304
PHE A 258
ILE A 269
THR A 297
 None
 1.05A 3ia4A-2nq5A:
undetectable		 3ia4A-2nq5A:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		4 ILE A 545
PHE A 580
ILE A 544
THR A 592
 PCG  A 401 ( 4.0A)
None
None
PCG  A 401 (-2.9A)
 0.98A 3ia4A-2q0aA:
undetectable		 3ia4A-2q0aA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		4 ILE A 194
PHE A 107
ILE A 192
THR A 132
 None
 1.16A 3ia4A-2wn4A:
undetectable		 3ia4A-2wn4A:
15.64
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.
2zi8 PROBABLE
BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE BPHC

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		4 ILE A 213
PHE A 263
ILE A  11
THR A 209
 None
 1.14A 3ia4A-2zi8A:
undetectable		 3ia4A-2zi8A:
21.97
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.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		4 ILE A  38
PHE A  49
ILE A  21
THR A  93
 None
 1.16A 3ia4A-3ce1A:
undetectable		 3ia4A-3ce1A:
23.46
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.
3dpj TRANSCRIPTION
REGULATOR, TETR
FAMILY

(Ruegeria
pomeroyi) 		PF00440
(TetR_N) 		4 ILE A  10
PHE A  42
ILE A  31
THR A   6
 None
 1.06A 3ia4A-3dpjA:
undetectable		 3ia4A-3dpjA:
20.10
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.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		4 ILE A 366
PHE A 147
ILE A 369
THR A 173
 None
 1.15A 3ia4A-3dzcA:
undetectable		 3ia4A-3dzcA:
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 ILE A  70
PHE A 274
ILE A  74
THR A  66
 None
 0.84A 3ia4A-3ei8A:
undetectable		 3ia4A-3ei8A:
18.63
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.
3f1x SERINE
ACETYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00132
(Hexapep) 		4 ILE A 160
PHE A 203
ILE A 205
THR A 132
 None
 0.95A 3ia4A-3f1xA:
undetectable		 3ia4A-3f1xA:
18.24
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.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ILE A  92
PHE A  85
ILE A   4
THR A  94
 None
 1.16A 3ia4A-3fk4A:
undetectable		 3ia4A-3fk4A:
17.42
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.
3hn6 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Borreliella
burgdorferi) 		PF01182
(Glucosamine_iso) 		4 ILE A 131
PHE A  69
ILE A  36
THR A 192
 None
 1.00A 3ia4A-3hn6A:
undetectable		 3ia4A-3hn6A:
18.64
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.
3ib5 SEX PHEROMONE
PRECURSOR

(Lactobacillus
salivarius) 		PF07537
(CamS) 		4 ILE A 353
PHE A 331
ILE A 318
THR A 375
 None
 0.96A 3ia4A-3ib5A:
undetectable		 3ia4A-3ib5A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kw0 CYSTEINE PEPTIDASE

(Bacillus cereus) 		PF05708
(Peptidase_C92) 		4 ILE A  39
PHE A 178
ILE A 139
THR A  50
 None
 1.11A 3ia4A-3kw0A:
undetectable		 3ia4A-3kw0A:
21.08
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.
3kw8 PUTATIVE COPPER
OXIDASE

(Streptomyces
coelicolor) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A 193
PHE A 233
ILE A 221
THR A 225
 None
 1.02A 3ia4A-3kw8A:
undetectable		 3ia4A-3kw8A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		4 ILE A 146
PHE A 181
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
None
None
CMP  A 250 (-2.9A)
 1.04A 3ia4A-3ogjA:
undetectable		 3ia4A-3ogjA:
23.46
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ILE A 230
PHE A  29
ILE A 196
THR A 245
 None
 1.05A 3ia4A-3ooxA:
undetectable		 3ia4A-3ooxA:
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.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A 171
PHE A 211
ILE A 146
THR A 169
 None
 1.01A 3ia4A-3pxlA:
undetectable		 3ia4A-3pxlA:
13.56
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.
3rh2 HYPOTHETICAL
TETR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Shewanella
amazonensis) 		PF00440
(TetR_N)
PF13972
(TetR) 		4 ILE A   7
PHE A  43
ILE A   8
THR A  25
 None
 0.90A 3ia4A-3rh2A:
undetectable		 3ia4A-3rh2A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		4 ILE A 130
PHE A 165
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
None
None
CMP  A 401 (-2.8A)
 1.14A 3ia4A-3shrA:
undetectable		 3ia4A-3shrA:
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		4 ILE A 248
PHE A 289
ILE A 247
THR A 301
 None
 0.73A 3ia4A-3shrA:
undetectable		 3ia4A-3shrA:
18.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		4 ILE A   6
PHE A  32
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.19A 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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A  14
PHE A  58
ILE A 164
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.34A 3ia4A-3um6A:
20.3		 3ia4A-3um6A:
13.31
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.
3vu9 CHROMOSOME
SEGREGATION IN
MEIOSIS PROTEIN 2

(Saccharomyces
cerevisiae) 		PF16834
(CSM2) 		4 ILE B 112
PHE B  38
ILE B  90
THR B 161
 None
 1.03A 3ia4A-3vu9B:
undetectable		 3ia4A-3vu9B:
22.12
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		4 ILE A 197
PHE A 156
ILE A 196
THR A  65
 None
 1.13A 3ia4A-3w3eA:
undetectable		 3ia4A-3w3eA:
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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 4 ILE B 170
PHE B 171
ILE B 193
THR B 138
 None
 1.05A 3ia4A-3wlxB:
2.6		 3ia4A-3wlxB:
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ILE A 700
PHE A 709
ILE A 778
THR A 687
 None
 1.16A 3ia4A-4a2lA:
undetectable		 3ia4A-4a2lA:
12.45
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ILE A 466
PHE A 605
ILE A 518
THR A 525
 None
 1.13A 3ia4A-4arxA:
undetectable		 3ia4A-4arxA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		4 ILE A 329
PHE A 366
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
None
None
PCG  A1423 (-3.0A)
 0.91A 3ia4A-4d7sA:
undetectable		 3ia4A-4d7sA:
19.70
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.
4dbh 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Corynebacterium
glutamicum) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 ILE A 104
PHE A 169
ILE A 106
THR A  98
 None
 1.14A 3ia4A-4dbhA:
undetectable		 3ia4A-4dbhA:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 ILE A 251
PHE A 282
ILE A 239
THR A 243
 None
 1.03A 3ia4A-4e3aA:
undetectable		 3ia4A-4e3aA:
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.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A  31
PHE A  67
ILE A  73
THR A  77
 None
 1.13A 3ia4A-4emwA:
undetectable		 3ia4A-4emwA:
16.43
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.
4evf GIARDIN SUBUNIT
ALPHA-1

(Giardia
intestinalis) 		PF00191
(Annexin) 		4 ILE A 205
PHE A 178
ILE A 201
THR A 216
 None
 1.16A 3ia4A-4evfA:
undetectable		 3ia4A-4evfA:
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.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ILE A  51
PHE A 117
ILE A 104
THR A 108
 None
 0.78A 3ia4A-4f2gA:
2.4		 3ia4A-4f2gA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6o METACASPASE-1

(Saccharomyces
cerevisiae) 		PF00656
(Peptidase_C14) 		4 ILE A 140
PHE A 163
ILE A 177
THR A 181
 None
 1.04A 3ia4A-4f6oA:
undetectable		 3ia4A-4f6oA:
17.09
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 276
PHE A 252
ILE A 122
THR A 280
 None
 1.02A 3ia4A-4fg8A:
undetectable		 3ia4A-4fg8A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 ILE A  84
PHE A 288
ILE A  88
THR A  80
 None
 0.90A 3ia4A-4fl0A:
undetectable		 3ia4A-4fl0A:
16.08
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.
4flm S-FORMYLGLUTATHIONE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF00756
(Esterase) 		4 ILE A  32
PHE A 141
ILE A  15
THR A  51
 None
 1.08A 3ia4A-4flmA:
undetectable		 3ia4A-4flmA:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		4 ILE X  10
PHE X  36
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.18A 3ia4A-4g8zX:
20.2		 3ia4A-4g8zX:
29.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 ILE A 217
PHE A 231
ILE A 257
THR A 215
 None
 0.89A 3ia4A-4gaaA:
undetectable		 3ia4A-4gaaA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 ILE A 109
PHE A 247
ILE A  11
THR A 267
 None
 1.11A 3ia4A-4gcmA:
undetectable		 3ia4A-4gcmA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ILE A 494
PHE A 324
ILE A 353
THR A 497
 None
 1.17A 3ia4A-4gw9A:
undetectable		 3ia4A-4gw9A:
13.32
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.
4gyb COPPER OXIDASE

(Streptomyces
lividans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A 193
PHE A 233
ILE A 221
THR A 225
 None
 1.01A 3ia4A-4gybA:
undetectable		 3ia4A-4gybA:
19.87
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) 		4 ILE A   9
PHE A  36
ILE A 112
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.2A)
14Q  A 202 ( 4.6A)
 0.29A 3ia4A-4h96A:
18.1		 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) 		4 ILE A   9
PHE A  36
ILE A 121
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 ( 4.0A)
14Q  A 302 (-4.2A)
 0.28A 3ia4A-4h98A:
19.3		 3ia4A-4h98A:
32.65
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.
4k4k PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
uniformis) 		PF13149
(Mfa_like_1) 		4 ILE A 169
PHE A 241
ILE A 274
THR A 219
 None
 0.96A 3ia4A-4k4kA:
undetectable		 3ia4A-4k4kA:
18.44
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 ILE A 246
PHE A 227
ILE A 250
THR A 244
 None
 0.96A 3ia4A-4lxlA:
undetectable		 3ia4A-4lxlA:
18.08
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) 		4 ILE A   5
PHE A  31
ILE A  94
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.8A)
TMQ  A 202 (-4.2A)
 0.22A 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.
4ofg CGMP-DEPENDENT
PROTEIN KINASE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		4 ILE A 446
PHE A 481
ILE A 445
THR A 493
 PCG  A 601 ( 4.4A)
None
None
PCG  A 601 (-2.7A)
 0.96A 3ia4A-4ofgA:
undetectable		 3ia4A-4ofgA:
22.62
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.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		4 ILE A 168
PHE A  38
ILE A  92
THR A 334
 None
 1.06A 3ia4A-4p0fA:
undetectable		 3ia4A-4p0fA:
15.08
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) 		4 ILE A   5
PHE A  31
ILE A  94
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 4.3A)
MTX  A 201 ( 4.5A)
 0.18A 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.
4pl9 ETHYLENE RECEPTOR 1

(Arabidopsis
thaliana) 		PF02518
(HATPase_c) 		4 ILE A 467
PHE A 577
ILE A 464
THR A 574
 None
 1.10A 3ia4A-4pl9A:
undetectable		 3ia4A-4pl9A:
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.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		4 ILE A 264
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
None
None
CMP  A 401 (-2.9A)
 0.91A 3ia4A-4qx5A:
undetectable		 3ia4A-4qx5A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk6 GLUCOSE-RESISTANCE
AMYLASE REGULATOR

(Weissella
paramesenteroides) 		PF13377
(Peripla_BP_3) 		4 ILE A 244
PHE A 199
ILE A 179
THR A 246
 None
 1.00A 3ia4A-4rk6A:
2.5		 3ia4A-4rk6A:
20.75
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.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila) 		PF03313
(SDH_alpha)
PF03315
(SDH_beta) 		4 ILE A 214
PHE A   6
ILE A 211
THR A 287
 None
 1.05A 3ia4A-4rqoA:
undetectable		 3ia4A-4rqoA:
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.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		4 ILE A 242
PHE A 201
ILE A 241
THR A 109
 None
 1.16A 3ia4A-4tx7A:
undetectable		 3ia4A-4tx7A:
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.
4w7g DYNEIN LIGHT
INTERMEDIATE CHAIN

(Chaetomium
thermophilum) 		PF05783
(DLIC) 		4 ILE A  50
PHE A  63
ILE A 283
THR A  94
 None
 1.09A 3ia4A-4w7gA:
undetectable		 3ia4A-4w7gA:
13.56
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ILE A 466
PHE A 605
ILE A 518
THR A 525
 None
 1.13A 3ia4A-4w8jA:
undetectable		 3ia4A-4w8jA:
9.32
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.
4y81 PROTEASOME SUBUNIT
BETA TYPE-6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 ILE L 111
PHE L  68
ILE L  50
THR L 109
 None
 1.00A 3ia4A-4y81L:
undetectable		 3ia4A-4y81L:
23.25
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		4 ILE A 264
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
None
None
PCG  A 402 (-2.7A)
 1.02A 3ia4A-4z07A:
undetectable		 3ia4A-4z07A:
18.70
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.
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo sapiens) 		PF00027
(cNMP_binding) 		4 ILE A 196
PHE A 231
ILE A 195
THR A 243
 PCG  A 302 ( 4.1A)
None
None
PCG  A 302 ( 2.8A)
 1.00A 3ia4A-5c8wA:
undetectable		 3ia4A-5c8wA:
24.24
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) 		4 ILE A   5
PHE A  48
ILE A 111
THR A 130
 None
PEG  A 202 ( 3.7A)
None
CME  A 140 ( 4.5A)
 0.20A 3ia4A-5dxvA:
16.3		 3ia4A-5dxvA:
42.31
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.
5edj FRPC OPERON PROTEIN

(Neisseria
meningitidis) 		PF06901
(FrpC) 		4 ILE A 145
PHE A  65
ILE A 103
THR A 232
 None
 1.15A 3ia4A-5edjA:
undetectable		 3ia4A-5edjA:
19.47
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		4 ILE A 116
PHE A  61
ILE A   4
THR A 227
 None
 1.11A 3ia4A-5f9pA:
undetectable		 3ia4A-5f9pA:
20.08
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.
5j48 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		4 ILE A 264
PHE A 305
ILE A 263
THR A 317
 6FW  A 404 (-3.5A)
None
None
6FW  A 404 ( 2.8A)
 0.99A 3ia4A-5j48A:
undetectable		 3ia4A-5j48A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbd TUMOR PROTEIN P73

(Homo sapiens) 		PF00870
(P53) 		4 ILE A 175
PHE A 127
ILE A 275
THR A 173
 None
 1.07A 3ia4A-5kbdA:
undetectable		 3ia4A-5kbdA:
18.47
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.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 4 ILE A 194
PHE A 234
ILE A 222
THR A 226
 None
 1.03A 3ia4A-5mkmA:
undetectable		 3ia4A-5mkmA:
17.72
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.
5w7z DNA POLYMERASE III
SUBUNIT BETA

(Rickettsia
conorii) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 ILE A 217
PHE A 228
ILE A 219
THR A 234
 None
 1.13A 3ia4A-5w7zA:
undetectable		 3ia4A-5w7zA:
16.75
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.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 4 ILE A 146
PHE A 217
ILE A 158
THR A 162
 None
 1.12A 3ia4A-5wjcA:
undetectable		 3ia4A-5wjcA:
19.75
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE

(Cyanobacteria) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		4 ILE A   7
PHE A  47
ILE A  45
THR A   5
 None
 1.15A 3ia4A-5x4tA:
undetectable		 3ia4A-5x4tA:
20.22
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.
5xsq NUCLEOPROTEIN

(Marburg
marburgvirus) 		PF05505
(Ebola_NP) 		4 ILE A  75
PHE A  10
ILE A   8
THR A  12
 None
 1.17A 3ia4A-5xsqA:
undetectable		 3ia4A-5xsqA:
18.77
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.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		4 ILE C 208
PHE C 213
ILE C 239
THR C 336
 None
 1.16A 3ia4A-5y10C:
undetectable		 3ia4A-5y10C:
18.94
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.
6aqj KETOL-ACID
REDUCTOISOMERASE
(NADP(+))

(Staphylococcus
aureus) 		no annotation 4 ILE A 111
PHE A 105
ILE A 116
THR A 187
 None
 1.17A 3ia4A-6aqjA:
undetectable		 3ia4A-6aqjA:
19.45
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ILE A   6
PHE A  32
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.25A 3ia4A-6cxmA:
21.5		 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.
6d46 BETA SLIDING CLAMP

(Rickettsia
typhi) 		no annotation 4 ILE A 217
PHE A 228
ILE A 219
THR A 234
 None
 1.14A 3ia4A-6d46A:
undetectable		 3ia4A-6d46A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens) 		no annotation 4 ILE E  62
PHE E 227
ILE E  74
THR E 193
 None
 1.13A 3ia4A-6d6uE:
undetectable		 3ia4A-6d6uE:
21.01