SIMILAR PATTERNS OF AMINO ACIDS FOR 4P68_A_MTXA201_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) 		6 ASP A  27
PHE A  31
ILE A  51
ARG A  58
ILE A 100
THR A 121
 None
 0.48A 4p68A-1cz3A:
19.8		 4p68A-1cz3A:
30.46
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 ILE A   7
PHE A  34
SER A  59
ILE A  60
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
None
HBI  A 198 ( 4.5A)
 0.57A 4p68A-1dr6A:
21.0		 4p68A-1dr6A:
33.16
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.
1fh0 CATHEPSIN V

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 ILE A 211
LYS A 205
SER A 142
ILE A 201
THR A 213
 None
 1.46A 4p68A-1fh0A:
undetectable		 4p68A-1fh0A:
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
LYS A  41
SER A  58
ARG A  66
 None
None
None
NDP  A 194 ( 3.9A)
None
 1.34A 4p68A-1juvA:
17.8		 4p68A-1juvA:
25.91
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
LYS A  41
SER A  58
ILE A 127
 None
None
None
NDP  A 194 ( 3.9A)
None
 0.91A 4p68A-1juvA:
17.8		 4p68A-1juvA:
25.91
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ILE A 128
PHE A  33
SER A  74
ILE A 439
THR A 155
 None
 1.34A 4p68A-1k7hA:
2.1		 4p68A-1k7hA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ILE A  74
SER A  49
ILE A  46
ILE A 355
THR A  28
 None
 1.48A 4p68A-1musA:
undetectable		 4p68A-1musA:
16.00
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 ILE A 354
PHE A 358
ARG A 375
ILE A 376
THR A 362
 None
 1.19A 4p68A-1szqA:
undetectable		 4p68A-1szqA:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
PHE A  34
ILE A  60
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.49A 4p68A-1u70A:
20.4		 4p68A-1u70A:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
PHE A  34
SER A  59
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.58A 4p68A-1u70A:
20.4		 4p68A-1u70A:
32.11
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 ILE A   7
PHE A  34
SER A  59
ILE A  60
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.56A 4p68A-1u71A:
20.6		 4p68A-1u71A:
31.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 MET A 466
PHE A 447
ILE A 452
ARG A 367
ILE A 370
 None
 1.49A 4p68A-1v7vA:
undetectable		 4p68A-1v7vA:
11.72
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.
1wlt 176AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Sulfurisphaera
tokodaii) 		PF00908
(dTDP_sugar_isom) 		5 ILE A  72
PHE A  36
LYS A  32
ILE A  15
THR A 133
 None
 1.38A 4p68A-1wltA:
undetectable		 4p68A-1wltA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdq BACTERIAL SULFITE
OXIDASE

(Escherichia
coli) 		PF00174
(Oxidored_molyb) 		5 ILE A 206
SER A  73
ILE A  72
ILE A 209
THR A 221
 None
 1.14A 4p68A-1xdqA:
undetectable		 4p68A-1xdqA:
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		5 ILE A1397
PHE A1138
ILE A1079
ILE A1398
THR A1170
 None
 1.43A 4p68A-1xv5A:
undetectable		 4p68A-1xv5A:
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.
1yd9 CORE HISTONE
MACRO-H2A.1

(Rattus
norvegicus) 		PF01661
(Macro) 		5 ILE A 151
PHE A 132
SER A 165
ILE A 167
ILE A 155
 None
 1.37A 4p68A-1yd9A:
undetectable		 4p68A-1yd9A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 ILE A  31
ASP A  61
ILE A  95
ILE A  69
THR A  27
 None
 1.40A 4p68A-1ydoA:
undetectable		 4p68A-1ydoA:
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.
1z0k FYVE-FINGER-CONTAINI
NG RAB5 EFFECTOR
PROTEIN RABENOSYN-5
GTP-BINDING PROTEIN

(Homo sapiens) 		PF00071
(Ras)
PF11464
(Rbsn) 		5 ILE B 466
PHE B 469
SER A  22
TYR A  77
THR B 484
 None
None
MG  A1201 ( 2.2A)
None
None
 1.40A 4p68A-1z0kB:
undetectable		 4p68A-1z0kB:
16.13
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) 		8 ILE A   5
ASP A  27
PHE A  31
LYS A  32
ILE A  50
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
None
 0.45A 4p68A-1zdrA:
25.4		 4p68A-1zdrA:
39.88
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ILE C 305
ASP C 291
SER C 360
ILE C 359
ILE C 301
 None
 1.45A 4p68A-1zq1C:
undetectable		 4p68A-1zq1C:
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.
2aye REGULATORY PROTEIN
E2

(Alphapapillomavirus
10) 		PF00511
(PPV_E2_C) 		5 ILE A 350
PHE A 299
SER A 314
ILE A 313
THR A 353
 None
 1.12A 4p68A-2ayeA:
undetectable		 4p68A-2ayeA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9u HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Sulfurisphaera
tokodaii) 		PF00908
(dTDP_sugar_isom) 		5 ILE A  72
PHE A  36
LYS A  32
ILE A  15
THR A 133
 None
 1.36A 4p68A-2b9uA:
undetectable		 4p68A-2b9uA:
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.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
REGULATORY CHAIN

(Moritella
profunda) 		PF01948
(PyrI)
PF02748
(PyrI_C) 		5 ILE D  58
LYS D  27
ILE D  17
TYR D  15
THR D  35
 None
 1.48A 4p68A-2be7D:
undetectable		 4p68A-2be7D:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ASP A  53
PHE A  57
SER A 120
ILE A 121
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.59A 4p68A-2blbA:
20.3		 4p68A-2blbA:
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.
2f7n DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY

(Deinococcus
radiodurans) 		PF00210
(Ferritin) 		5 ILE A 102
PHE A  79
LYS A  78
ILE A 190
ILE A 105
 None
 1.28A 4p68A-2f7nA:
undetectable		 4p68A-2f7nA:
20.64
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.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Staphylococcus
aureus) 		PF01039
(Carboxyl_trans) 		5 ILE B 148
PHE B 159
SER B 212
ILE B 145
THR B 153
 None
 1.49A 4p68A-2f9iB:
undetectable		 4p68A-2f9iB:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjv PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF09646
(Gp37) 		5 ILE A  44
SER A  49
ILE A  66
ILE A   7
THR A  71
 None
 1.42A 4p68A-2gjvA:
undetectable		 4p68A-2gjvA:
23.35
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ASP A  48
PHE A  52
SER A  83
ILE A  84
ARG A  94
ILE A 154
TYR A 160
THR A 178
 None
None
NAP  A 523 ( 4.4A)
None
None
None
None
None
 0.55A 4p68A-2h2qA:
19.9		 4p68A-2h2qA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  32
PHE A  36
SER A  61
ILE A  62
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.56A 4p68A-2oipA:
21.5		 4p68A-2oipA:
16.46
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) 		5 LYS A  33
ILE A  51
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.62A 4p68A-2qk8A:
24.9		 4p68A-2qk8A:
39.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ILE B 310
SER B 330
ILE B 319
ARG B 287
THR B 354
 None
 1.34A 4p68A-2rhqB:
undetectable		 4p68A-2rhqB:
12.23
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) 		7 ASP A  31
PHE A  35
SER A  53
ARG A  64
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.47A 4p68A-2w3wA:
24.7		 4p68A-2w3wA:
34.50
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 PHE A  35
LYS A  36
SER A  53
ARG A  64
ILE A 102
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
 1.04A 4p68A-2w3wA:
24.7		 4p68A-2w3wA:
34.50
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) 		6 ILE A   5
ASP A  27
LYS A  32
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
None
None
TOP  A1160 ( 4.5A)
 0.76A 4p68A-2w9sA:
25.9		 4p68A-2w9sA:
37.89
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 ILE A   5
ASP A  27
SER A  49
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.55A 4p68A-2w9sA:
25.9		 4p68A-2w9sA:
37.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 ILE A 106
LYS A  53
SER A 231
ILE A 232
ILE A   9
 None
WQP  A1350 (-3.2A)
None
None
None
 1.49A 4p68A-2wqpA:
undetectable		 4p68A-2wqpA:
18.37
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.
2zo6 CYAN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN (KCY)

(Verrillofungia
concinna) 		PF01353
(GFP) 		5 ASP A  55
PHE A  54
ILE A  40
ILE A 204
THR A 135
 None
 1.32A 4p68A-2zo6A:
undetectable		 4p68A-2zo6A:
20.16
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.
2zo7 CYAN/GREEN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN MUTANT
(KCY-R1)

(Verrillofungia
concinna) 		PF01353
(GFP) 		5 ASP A  56
PHE A  55
ILE A  41
ILE A 205
THR A 136
 None
None
GYS  A  64 ( 4.8A)
None
None
 1.27A 4p68A-2zo7A:
undetectable		 4p68A-2zo7A:
21.10
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 ILE A 291
PHE A 245
SER A 212
ILE A 171
THR A 289
 None
 1.24A 4p68A-3bilA:
2.1		 4p68A-3bilA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3k ALANINE RACEMASE

(Actinobacillus
succinogenes) 		PF13377
(Peripla_BP_3) 		5 ILE A 130
LYS A 172
SER A 276
ILE A 210
ILE A 188
 None
 1.02A 4p68A-3c3kA:
2.8		 4p68A-3c3kA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ASP A  26
PHE A  30
SER A  48
ARG A  57
THR A 116
 MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.53A 4p68A-3dfrA:
23.7		 4p68A-3dfrA:
28.66
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.47A 4p68A-3dg8A:
20.9		 4p68A-3dg8A:
22.70
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 351
PHE A  11
LYS A 109
ILE A  96
THR A 359
 None
 1.42A 4p68A-3gb0A:
undetectable		 4p68A-3gb0A:
17.26
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 ASP X  27
LYS X  32
SER X  49
ILE X  50
ARG X  57
TYR X  98
THR X 111
 N22  X 219 (-2.8A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.63A 4p68A-3i8aX:
25.9		 4p68A-3i8aX:
36.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		10 ILE A   6
MET A  21
PHE A  32
LYS A  33
SER A  50
ILE A  51
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.52A 4p68A-3ia4A:
28.0		 4p68A-3ia4A:
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.
3iuo ATP-DEPENDENT DNA
HELICASE RECQ

(Porphyromonas
gingivalis) 		no annotation 5 ILE A 641
LYS A 625
SER A 721
ILE A 632
TYR A 670
 None
 1.50A 4p68A-3iuoA:
undetectable		 4p68A-3iuoA:
21.95
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 ILE A   8
PHE A  34
LYS A  35
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.37A 4p68A-3ix9A:
25.1		 4p68A-3ix9A:
35.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  37
SER A  72
ILE A  73
ARG A  83
TYR A 129
THR A 144
 None
NAP  A 512 ( 4.2A)
None
None
None
None
 0.60A 4p68A-3kjrA:
21.1		 4p68A-3kjrA:
15.18
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 ILE A  38
PHE A  28
ARG A 236
ILE A 183
THR A  49
 None
 1.37A 4p68A-3kl7A:
undetectable		 4p68A-3kl7A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxg ADAPTER PROTEIN MECA
1

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		5 ILE a 140
ASP a 135
PHE a 136
ILE a 203
ILE a 212
 None
 1.28A 4p68A-3pxga:
undetectable		 4p68A-3pxga:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxi ADAPTER PROTEIN MECA
1

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE a 140
ASP a 135
PHE a 136
ILE a 203
ILE a 212
 None
 1.28A 4p68A-3pxia:
undetectable		 4p68A-3pxia:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ASP A  54
PHE A  58
SER A  89
ARG A 100
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.41A 4p68A-3rg9A:
19.8		 4p68A-3rg9A:
27.50
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 ILE A 450
LYS A 440
SER A 393
ILE A 395
ILE A 426
 None
 1.32A 4p68A-3sggA:
undetectable		 4p68A-3sggA:
16.23
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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 170
MET A 199
PHE A 146
LYS A 145
ILE A 166
 None
None
None
MG  A 369 ( 3.8A)
None
 1.37A 4p68A-3t8qA:
undetectable		 4p68A-3t8qA:
18.28
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) 		8 ILE A   6
ASP A  28
PHE A  32
LYS A  33
ILE A  51
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.50A 4p68A-3tq9A:
25.4		 4p68A-3tq9A:
43.37
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) 		8 ILE A   6
ASP A  28
PHE A  32
SER A  50
ILE A  51
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.46A 4p68A-3tq9A:
25.4		 4p68A-3tq9A:
43.37
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
ASP A  54
PHE A  58
SER A 111
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 4p68A-3um6A:
21.0		 4p68A-3um6A:
13.23
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
ASP A  54
SER A 111
ILE A 112
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.56A 4p68A-3um6A:
21.0		 4p68A-3um6A:
13.23
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ASP A  28
PHE A  32
LYS A  33
SER A  56
ILE A  57
ARG A  67
ILE A 111
TYR A 117
THR A 133
 None
 0.90A 4p68A-3vcoA:
18.1		 4p68A-3vcoA:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zsc PECTATE
TRISACCHARIDE-LYASE

(Thermotoga
maritima) 		PF00544
(Pec_lyase_C) 		5 ILE A  95
SER A 148
ILE A 144
ILE A 119
THR A  71
 None
 1.33A 4p68A-3zscA:
undetectable		 4p68A-3zscA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 ILE A 750
SER A 652
ILE A 524
ILE A 707
TYR A 727
 None
 1.11A 4p68A-4am6A:
undetectable		 4p68A-4am6A:
12.25
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		5 ILE A 894
ASP A 889
ILE A 841
ILE A 870
THR A 891
 None
 1.36A 4p68A-4ecnA:
undetectable		 4p68A-4ecnA:
10.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
PHE X  36
SER X  64
ILE X  65
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 4p68A-4g8zX:
20.4		 4p68A-4g8zX:
30.05
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) 		10 ILE A   9
MET A  25
PHE A  36
LYS A  37
SER A  61
ILE A  62
ARG A  72
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.70A 4p68A-4h96A:
18.3		 4p68A-4h96A:
31.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
PHE A  36
SER A  61
ILE A  62
ARG A  72
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.35A 4p68A-4h98A:
19.1		 4p68A-4h98A:
29.03
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.
4j8p FLAVODOXIN

(Bacteroides
uniformis) 		PF12682
(Flavodoxin_4) 		5 ILE A 156
PHE A 126
ILE A  56
ILE A 121
THR A 130
 None
 1.45A 4p68A-4j8pA:
undetectable		 4p68A-4j8pA:
17.51
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.
4jmq BACTERIOPHAGE T5
DISTAL TAIL PROTEIN

(Escherichia
virus T5) 		no annotation 5 ILE A 138
PHE A 127
LYS A 128
ILE A 100
ILE A 150
 None
 1.47A 4p68A-4jmqA:
undetectable		 4p68A-4jmqA:
22.43
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) 		8 ILE A   5
ASP A  27
PHE A  31
SER A  49
ARG A  60
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.41A 4p68A-4m2xA:
22.9		 4p68A-4m2xA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ASP A  27
PHE A  31
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.49A 4p68A-4m7vA:
24.4		 4p68A-4m7vA:
37.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 ILE A1129
MET A1273
PHE A1112
ILE A1308
ILE A1092
 None
 1.49A 4p68A-4n1aA:
undetectable		 4p68A-4n1aA:
14.24
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.
4pl9 ETHYLENE RECEPTOR 1

(Arabidopsis
thaliana) 		PF02518
(HATPase_c) 		5 ILE A 518
ASP A 513
SER A 551
ILE A 562
ILE A 526
 ADP  A 613 ( 4.8A)
CD  A 603 ( 2.1A)
None
None
ADP  A 613 (-4.1A)
 1.30A 4p68A-4pl9A:
undetectable		 4p68A-4pl9A:
20.65
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.
4rvo PHENYLACETATE-COENZY
ME A LIGASE

(Bacteroides
thetaiotaomicron) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		5 ASP A 331
PHE A 333
ILE A 404
ILE A 361
TYR A 359
 None
 1.41A 4p68A-4rvoA:
undetectable		 4p68A-4rvoA:
15.70
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.
4u6u COG5

(Kluyveromyces
lactis) 		PF10392
(COG5) 		5 PHE B 329
LYS B 330
ILE B 354
ILE B 266
THR B 258
 None
 1.36A 4p68A-4u6uB:
undetectable		 4p68A-4u6uB:
18.80
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I, RESTRICTION
SUBUNIT

(Escherichia
coli) 		PF04851
(ResIII) 		5 ILE C 223
PHE C 244
LYS C 243
ILE C 167
ILE C 111
 None
 1.39A 4p68A-4zcfC:
undetectable		 4p68A-4zcfC:
10.42
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 ILE A 243
SER A 109
ARG A 234
ILE A 103
THR A 149
 None
 1.18A 4p68A-5cerA:
undetectable		 4p68A-5cerA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cs4 ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ILE A1425
PHE A1407
ILE A1368
ILE A1387
THR A1454
 None
 1.35A 4p68A-5cs4A:
undetectable		 4p68A-5cs4A:
15.95
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) 		8 ILE A   5
PHE A  48
SER A  66
ILE A  67
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.54A 4p68A-5dxvA:
17.3		 4p68A-5dxvA:
67.42
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.
5fa1 PUTATIVE N-ACETYL
GLUCOSAMINYL
TRANSFERASE

(Raoultella
terrigena) 		PF05159
(Capsule_synth) 		5 ILE A 236
PHE A 102
SER A 136
ILE A 137
TYR A 238
 None
 1.20A 4p68A-5fa1A:
undetectable		 4p68A-5fa1A:
17.36
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) 		6 ILE A   6
SER A  50
ILE A  51
ARG A  58
TYR A 101
THR A 114
 None
 1.15A 4p68A-5fdaA:
20.0		 4p68A-5fdaA:
80.00
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP4
EXOSOME COMPLEX
COMPONENT RRP42

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF14382
(ECR1_N)
PF15985
(KH_6) 		5 ILE E  50
SER H   2
ILE H   5
ILE E  34
THR E  38
 None
 1.23A 4p68A-5g06E:
undetectable		 4p68A-5g06E:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h4e BETA 1-3 GLUCANASE

(Clostridium
beijerinckii) 		no annotation 5 ILE A 382
ILE A 248
ILE A 589
TYR A 380
THR A 578
 None
 1.36A 4p68A-5h4eA:
undetectable		 4p68A-5h4eA:
15.30
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.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 ILE A 137
PHE A 209
SER A 104
ILE A 102
ILE A 126
 None
 1.31A 4p68A-5i08A:
undetectable		 4p68A-5i08A:
7.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ILE A1664
PHE A1627
LYS A1626
SER A1560
ILE A1557
 None
 1.33A 4p68A-5i6hA:
undetectable		 4p68A-5i6hA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF13656
(RNA_pol_L_2) 		5 ASP K  39
PHE K  71
SER C 257
ILE C 258
ILE K  46
 None
 1.46A 4p68A-5ip7K:
undetectable		 4p68A-5ip7K:
20.81
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.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 ILE A  54
ASP A  59
PHE A  34
LYS A  35
ILE A   7
 None
 1.19A 4p68A-5jt8A:
undetectable		 4p68A-5jt8A:
17.70
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.
5kew VTRC PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 ILE B  54
SER B 123
ILE B 124
ILE B  67
TYR B  39
 None
6SB  B 301 (-2.3A)
6SB  B 301 (-4.2A)
6SB  B 301 ( 4.0A)
None
 1.32A 4p68A-5kewB:
undetectable		 4p68A-5kewB:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnc VACUOLAR TRANSPORTER
CHAPERONE 4,CORE
HISTONE MACRO-H2A.1

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF01661
(Macro)
PF03105
(SPX) 		5 ILE A 328
PHE A 309
SER A 342
ILE A 344
ILE A 332
 None
 1.33A 4p68A-5lncA:
undetectable		 4p68A-5lncA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 PHE A 251
SER A 277
ILE A 276
ILE A 237
TYR A 241
 None
 1.37A 4p68A-5od2A:
undetectable		 4p68A-5od2A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sz8 HEMOLYSIN

(Proteus
mirabilis) 		PF05860
(Haemagg_act) 		5 ILE A  32
PHE A  71
SER A  64
ILE A 109
ILE A  53
 None
 1.23A 4p68A-5sz8A:
undetectable		 4p68A-5sz8A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  31
PHE A  35
SER A  86
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
None
73X  A 704 (-4.2A)
 0.48A 4p68A-5t0lA:
21.4		 4p68A-5t0lA:
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.
5wez TIR CHAPERONE
TRANSLOCATED INTIMIN
RECEPTOR TIR

(Escherichia
coli) 		no annotation 5 ILE A  39
PHE A  31
SER B  40
ILE A  16
ILE A 113
 None
 1.33A 4p68A-5wezA:
undetectable		 4p68A-5wezA:
20.92
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.
6avw CARBOXYLESTERASE
SOBER1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 206
PHE A  26
SER A 195
ILE A 194
ILE A 202
 None
 1.25A 4p68A-6avwA:
undetectable		 4p68A-6avwA:
16.56
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.
6b48 ANTI-CRISPR PROTEIN
ACRF10

(Shewanella
xiamenensis) 		no annotation 5 ILE K   7
PHE K  23
SER K  54
ILE K  56
ILE K  88
 None
 1.41A 4p68A-6b48K:
undetectable		 4p68A-6b48K:
18.35
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 ILE A 184
PHE A 193
ILE A 226
ILE A 209
THR A 215
 None
 1.37A 4p68A-6b5iA:
undetectable		 4p68A-6b5iA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ASP A  28
PHE A  32
LYS A  33
SER A  50
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 4p68A-6cxmA:
21.7		 4p68A-6cxmA:
29.29
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.
6fl0 -

(-) 		no annotation 5 ILE A  77
ASP A  36
PHE A  42
ILE A 101
ILE A  66
 None
 1.37A 4p68A-6fl0A:
undetectable		 4p68A-6fl0A:
undetectable