SIMILAR PATTERNS OF AMINO ACIDS FOR 2W3M_B_FOLB1188_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  31
LEU A  55
ARG A  58
THR A 121
 None
 0.54A 2w3mB-1cz3A:
16.1		 2w3mB-1cz3A:
28.12
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) 		10 ILE A   7
ALA A   9
LEU A  22
GLU A  30
PHE A  34
ASN A  64
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.54A 2w3mB-1dr6A:
32.6		 2w3mB-1dr6A:
74.73
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.
1hjq BETA-1,4-GALACTANASE

(Humicola
insolens) 		PF07745
(Glyco_hydro_53) 		5 ILE A 125
ALA A  69
ASN A  58
LEU A  59
ARG A 119
 None
 1.18A 2w3mB-1hjqA:
undetectable		 2w3mB-1hjqA:
18.48
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.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1

(Saccharomyces
cerevisiae) 		PF00378
(ECH_1) 		5 ALA A  32
PHE A  72
ASN A 152
LEU A 153
TYR A  38
 None
 1.15A 2w3mB-1hnoA:
undetectable		 2w3mB-1hnoA:
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ILE A 331
ALA A 348
LEU A 460
PHE A 263
LEU A 158
 None
 1.30A 2w3mB-1hr7A:
undetectable		 2w3mB-1hr7A:
17.93
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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 460
LEU A 375
PHE A 456
PHE A 458
ASN A 131
 None
 1.31A 2w3mB-1jmoA:
undetectable		 2w3mB-1jmoA:
16.46
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 ILE A 354
ALA A 364
PHE A 358
ARG A 375
THR A 362
 None
 1.22A 2w3mB-1szqA:
undetectable		 2w3mB-1szqA:
16.39
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) 		11 ILE A   7
ALA A   9
GLU A  30
PHE A  31
PHE A  34
GLN A  35
ASN A  64
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 (-3.7A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.38A 2w3mB-1u70A:
31.2		 2w3mB-1u70A:
89.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
GLU A  30
GLN A  35
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
None
MXA  A 187 (-4.3A)
 0.94A 2w3mB-1u71A:
32.4		 2w3mB-1u71A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
GLU A  30
PHE A  34
ASN A  64
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.9A)
MXA  A 187 (-4.5A)
None
None
None
MXA  A 187 (-4.3A)
 0.47A 2w3mB-1u71A:
32.4		 2w3mB-1u71A:
99.46
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		5 ILE A 272
ALA A 195
PHE A 327
LEU A 369
THR A 194
 None
 1.32A 2w3mB-1u7wA:
undetectable		 2w3mB-1u7wA:
23.05
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.
1u8s GLYCINE CLEAVAGE
SYSTEM
TRANSCRIPTIONAL
REPRESSOR, PUTATIVE

(Vibrio cholerae) 		PF13740
(ACT_6) 		5 ILE A 143
LEU A 175
PHE A 113
PHE A 110
LEU A 169
 None
 1.29A 2w3mB-1u8sA:
undetectable		 2w3mB-1u8sA:
21.80
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 ILE A  69
ALA A 121
LEU A 341
GLN A  62
LEU A  63
 None
 0.99A 2w3mB-1vgmA:
undetectable		 2w3mB-1vgmA:
21.56
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.
1vkw PUTATIVE
NITROREDUCTASE

(Thermotoga
maritima) 		PF14512
(TM1586_NiRdase) 		5 ILE A 192
GLU A  67
PHE A  70
LEU A 180
THR A  38
 None
 1.32A 2w3mB-1vkwA:
undetectable		 2w3mB-1vkwA:
21.31
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.
1vl1 6-PHOSPHOGLUCONOLACT
ONASE

(Thermotoga
maritima) 		PF01182
(Glucosamine_iso) 		5 ILE A  94
ALA A  53
PHE A  89
ASN A  80
LEU A  66
 None
 1.21A 2w3mB-1vl1A:
undetectable		 2w3mB-1vl1A:
21.85
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) 		7 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.41A 2w3mB-1zdrA:
20.2		 2w3mB-1zdrA:
33.86
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 ILE A 769
ALA A 755
PHE A 725
ASN A 360
ARG A 815
 None
 1.14A 2w3mB-2a3lA:
undetectable		 2w3mB-2a3lA:
14.27
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ILE A 281
LEU A 301
LEU A 318
TYR A 324
THR A 284
 None
 1.29A 2w3mB-2b39A:
undetectable		 2w3mB-2b39A:
8.02
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
LEU A  45
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.37A 2w3mB-2blbA:
21.9		 2w3mB-2blbA:
29.96
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 303
LEU A 164
PHE A 285
PHE A 250
LEU A 351
 None
 1.03A 2w3mB-2f3oA:
undetectable		 2w3mB-2f3oA:
13.91
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
PHE A  52
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.32A 2w3mB-2h2qA:
21.6		 2w3mB-2h2qA:
18.34
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.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		5 ILE A  11
GLU A  52
PHE A  48
LEU A 126
THR A   6
 None
 1.32A 2w3mB-2jhqA:
undetectable		 2w3mB-2jhqA:
20.68
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.
2m1w TIR
DOMAIN-CONTAINING
ADAPTER MOLECULE 2

(Homo sapiens) 		PF13676
(TIR_2) 		5 ILE A 136
LEU A  99
GLU A 197
PHE A 202
GLN A 205
 None
 1.19A 2w3mB-2m1wA:
undetectable		 2w3mB-2m1wA:
22.77
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.
2oh3 COG1633:
UNCHARACTERIZED
CONSERVED PROTEIN

(Magnetospirillum
magnetotacticum) 		PF02915
(Rubrerythrin) 		5 ILE A  56
ALA A  14
LEU A  68
TYR A 111
THR A  17
 None
 1.16A 2w3mB-2oh3A:
undetectable		 2w3mB-2oh3A:
19.90
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
PHE A  36
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.46A 2w3mB-2oipA:
22.5		 2w3mB-2oipA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ILE A 545
ALA A 593
PHE A 580
LEU A 603
THR A 592
 PCG  A 401 ( 4.0A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.9A)
 1.31A 2w3mB-2q0aA:
undetectable		 2w3mB-2q0aA:
23.18
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) 		7 ALA A   8
LEU A  21
GLU A  28
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.74A 2w3mB-2qk8A:
21.0		 2w3mB-2qk8A:
34.76
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.
2qna IMPORTIN SUBUNIT
BETA-1
SNURPORTIN-1

(Homo sapiens;
Homo sapiens) 		PF13513
(HEAT_EZ)
PF11538
(Snurportin1) 		5 ALA A 742
LEU A 700
PHE A 717
ARG B  55
TYR A 757
 None
 1.31A 2w3mB-2qnaA:
undetectable		 2w3mB-2qnaA:
13.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
PHE A  35
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.53A 2w3mB-2w3wA:
21.8		 2w3mB-2w3wA:
31.63
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
ALA A   7
LEU A  20
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
None
TOP  A1160 ( 4.5A)
 0.63A 2w3mB-2w9sA:
20.4		 2w3mB-2w9sA:
32.80
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.
2y9y ISWI ONE COMPLEX
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF15612
(WHIM1) 		5 LEU B 261
PHE B 196
GLN B 201
ASN B 190
LEU B 554
 None
 1.24A 2w3mB-2y9yB:
undetectable		 2w3mB-2y9yB:
15.02
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.
2yn0 TRANSCRIPTION FACTOR
TAU 55 KDA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		5 ILE A  76
ALA A  44
LEU A 247
LEU A  54
THR A  72
 None
 1.21A 2w3mB-2yn0A:
3.3		 2w3mB-2yn0A:
20.79
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.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 716
LEU A 694
PHE A 706
LEU A 745
THR A 677
 None
 1.00A 2w3mB-3bwtA:
undetectable		 2w3mB-3bwtA:
21.56
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.
3cij UPF0100 PROTEIN
AF_0094

(Archaeoglobus
fulgidus) 		PF13531
(SBP_bac_11) 		5 ILE A 287
PHE A 110
GLN A 312
LEU A 315
THR A 107
 None
 1.31A 2w3mB-3cijA:
undetectable		 2w3mB-3cijA:
21.09
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.
3clo TRANSCRIPTIONAL
REGULATOR

(Bacteroides
thetaiotaomicron) 		PF00196
(GerE) 		5 ILE A  47
ALA A  45
PHE A  33
GLN A  29
THR A  58
 None
 1.25A 2w3mB-3cloA:
undetectable		 2w3mB-3cloA:
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		5 LEU A 242
PHE A 339
GLN A 336
ARG A 287
THR A 349
 None
 1.26A 2w3mB-3cwvA:
undetectable		 2w3mB-3cwvA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
PHE A  30
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.59A 2w3mB-3dfrA:
21.1		 2w3mB-3dfrA:
31.05
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
LEU A  46
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.37A 2w3mB-3dg8A:
22.6		 2w3mB-3dg8A:
25.81
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.08A 2w3mB-3dwoX:
undetectable		 2w3mB-3dwoX:
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 228
LEU A 128
PHE A  42
GLN A  38
TYR A 226
 None
 1.22A 2w3mB-3fcjA:
undetectable		 2w3mB-3fcjA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ALA A 233
GLU A 264
PHE A 263
PHE A 260
LEU A 182
 None
 1.22A 2w3mB-3fefA:
undetectable		 2w3mB-3fefA:
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.
3hrg UNCHARACTERIZED
PROTEIN BT_3980 WITH
ACTIN-LIKE ATPASE
FOLD

(Bacteroides
thetaiotaomicron) 		PF12864
(DUF3822) 		5 ILE A  70
GLN A 142
ASN A 246
TYR A 134
THR A 126
 None
 1.24A 2w3mB-3hrgA:
undetectable		 2w3mB-3hrgA:
20.47
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
LEU A1622
PHE A1617
THR A1590
 None
 1.23A 2w3mB-3hrrA:
undetectable		 2w3mB-3hrrA:
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.
3hym CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG

(Homo sapiens) 		PF13424
(TPR_12) 		5 ILE B 338
PHE B 344
ASN B 316
LEU B 310
THR B 359
 None
 1.22A 2w3mB-3hymB:
undetectable		 2w3mB-3hymB:
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.81A 2w3mB-3i8aX:
20.0		 2w3mB-3i8aX:
29.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
GLU A  28
PHE A  32
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.52A 2w3mB-3ia4A:
20.5		 2w3mB-3ia4A:
31.55
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.
3ifw UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L1

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 LEU A 114
PHE A 133
GLN A  84
LEU A   3
THR A 121
 None
 1.26A 2w3mB-3ifwA:
undetectable		 2w3mB-3ifwA:
22.63
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) 		8 ILE A   8
ALA A  10
LEU A  23
GLU A  30
PHE A  34
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.67A 2w3mB-3ix9A:
21.1		 2w3mB-3ix9A:
31.16
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.37A 2w3mB-3kjrA:
23.0		 2w3mB-3kjrA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ILE A 351
LEU A 397
PHE A 383
PHE A 364
LEU A 430
 None
 1.30A 2w3mB-3l44A:
undetectable		 2w3mB-3l44A:
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 ILE A 240
LEU A 281
PHE A 175
GLN A 178
THR A 244
 None
 1.21A 2w3mB-3lx6A:
undetectable		 2w3mB-3lx6A:
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.
3onk EPSIN-3

(Saccharomyces
cerevisiae) 		PF01417
(ENTH) 		5 ILE A  87
ALA A  90
PHE A  73
ASN A 114
THR A  40
 None
 1.01A 2w3mB-3onkA:
undetectable		 2w3mB-3onkA:
21.88
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
None
None
WRA  A 602 (-4.2A)
 0.47A 2w3mB-3rg9A:
21.5		 2w3mB-3rg9A:
29.27
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) 		7 ILE A   6
ALA A   8
LEU A  21
PHE A  32
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.49A 2w3mB-3tq9A:
21.0		 2w3mB-3tq9A:
30.35
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 LEU A 117
GLN A 257
LEU A 166
TYR A 247
THR A  76
 CRK  A 214 ( 4.2A)
NFA  A 213 ( 3.8A)
NFA  A 213 ( 3.7A)
None
CRK  A 214 ( 4.6A)
 0.99A 2w3mB-3u0kA:
undetectable		 2w3mB-3u0kA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ALA A 542
LEU A 538
GLN A 489
LEU A 375
THR A 546
 None
 1.17A 2w3mB-3ulzA:
undetectable		 2w3mB-3ulzA:
21.85
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
LEU A  46
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.38A 2w3mB-3um6A:
22.4		 2w3mB-3um6A:
14.14
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
PHE A 360
ASN A  31
TYR A 228
 None
 1.11A 2w3mB-3ut3A:
undetectable		 2w3mB-3ut3A:
18.31
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
PHE A 360
GLN A 375
TYR A 228
 None
 1.14A 2w3mB-3ut3A:
undetectable		 2w3mB-3ut3A:
18.31
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.
3v7n THREONINE SYNTHASE

(Burkholderia
thailandensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 ALA A 189
LEU A 459
GLU A 457
PHE A 453
TYR A 164
 None
 1.23A 2w3mB-3v7nA:
2.1		 2w3mB-3v7nA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  32
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
 0.58A 2w3mB-3vcoA:
23.4		 2w3mB-3vcoA:
37.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 ILE A 295
ALA A 292
LEU A 290
PHE A 311
GLN A 310
 None
 1.31A 2w3mB-3vcyA:
undetectable		 2w3mB-3vcyA:
18.89
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.
3wya ELONGATION FACTOR
1-ALPHA

(Pyrococcus
horikoshii) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A 139
ALA A 109
LEU A 207
PHE A  12
ASN A 144
 None
None
None
None
GDP  A 500 (-3.0A)
 1.19A 2w3mB-3wyaA:
undetectable		 2w3mB-3wyaA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2q ATP SYNTHASE SUBUNIT
BETA, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE D  62
LEU D 234
PHE D 261
GLN D 282
ARG D 274
 None
 1.27A 2w3mB-4b2qD:
undetectable		 2w3mB-4b2qD:
16.31
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
LEU A 389
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.22A 2w3mB-4d7sA:
undetectable		 2w3mB-4d7sA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 ILE A 215
ALA A 270
LEU A 293
GLN A 208
LEU A 209
 None
 1.08A 2w3mB-4fnvA:
undetectable		 2w3mB-4fnvA:
15.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		10 ILE X  10
ALA X  12
LEU X  25
GLU X  32
PHE X  36
ASN X  69
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
None
None
None
None
TOP  X 301 (-4.5A)
 0.54A 2w3mB-4g8zX:
25.2		 2w3mB-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
GLU A  32
PHE A  36
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
None
None
None
14Q  A 202 ( 4.6A)
 0.47A 2w3mB-4h96A:
21.5		 2w3mB-4h96A:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
LEU A  25
GLU A  32
PHE A  36
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
None
None
None
14Q  A 302 (-4.2A)
 0.51A 2w3mB-4h98A:
21.9		 2w3mB-4h98A:
38.22
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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 ILE A 126
ALA A 124
LEU A  80
GLN A 104
LEU A  54
 None
None
None
None
NA  A 405 ( 3.9A)
 1.27A 2w3mB-4immA:
undetectable		 2w3mB-4immA:
18.25
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 ALA A  23
PHE A 215
GLN A 135
ARG A 131
THR A  20
 None
 1.25A 2w3mB-4j9uA:
undetectable		 2w3mB-4j9uA:
15.24
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.
4jpd PROTEIN CYAY

(Burkholderia
cenocepacia) 		PF01491
(Frataxin_Cyay) 		5 ILE A  51
ALA A  65
PHE A  44
ASN A  25
LEU A  33
 None
None
ACT  A 201 (-4.7A)
None
None
 1.28A 2w3mB-4jpdA:
undetectable		 2w3mB-4jpdA:
18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
None
None
None
TMQ  A 202 (-4.2A)
 0.47A 2w3mB-4m2xA:
20.6		 2w3mB-4m2xA:
32.98
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) 		7 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.69A 2w3mB-4m7vA:
20.0		 2w3mB-4m7vA:
32.47
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 399
GLU A 345
PHE A 344
LEU A 417
THR A 397
 None
 1.23A 2w3mB-4oc9A:
undetectable		 2w3mB-4oc9A:
18.98
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) 		6 ILE A   5
ALA A   7
PHE A  31
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.28A 2w3mB-4p68A:
20.6		 2w3mB-4p68A:
32.28
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.
4pfi TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Marinobacter
hydrocarbonoclasticus) 		PF03480
(DctP) 		5 LEU A 219
PHE A 188
ASN A 175
LEU A 177
THR A 210
 None
 1.17A 2w3mB-4pfiA:
undetectable		 2w3mB-4pfiA:
18.55
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.
4u65 PUTATIVE CYSTINE
PROTEASE

(Pseudomonas
fluorescens) 		PF06035
(Peptidase_C93) 		5 ALA E 141
LEU E 128
PHE E 101
GLN E  86
ASN E  81
 None
 0.92A 2w3mB-4u65E:
undetectable		 2w3mB-4u65E:
21.78
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 ALA E 321
LEU E 310
GLN E 377
ASN E 370
TYR E 276
 None
 1.32A 2w3mB-4whbE:
undetectable		 2w3mB-4whbE:
18.43
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.
4wvm STONUSTOXIN SUBUNIT
ALPHA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		5 ILE A 536
ALA A 549
LEU A 702
PHE A 689
ARG A 603
 None
 1.29A 2w3mB-4wvmA:
undetectable		 2w3mB-4wvmA:
14.92
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.
4y13 TRANSCRIPTIONAL
REGULATOR OF FTSQAZ
GENE CLUSTER

(Escherichia
coli) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		5 ALA A 110
LEU A 106
ASN A  87
LEU A  93
TYR A  63
 GOL  A 304 (-2.8A)
480  A 303 ( 4.5A)
None
None
480  A 303 (-4.3A)
 1.20A 2w3mB-4y13A:
undetectable		 2w3mB-4y13A:
19.37
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 ILE A 136
ALA A 118
GLN A 104
ASN A 148
THR A 116
 None
 1.09A 2w3mB-4yhsA:
undetectable		 2w3mB-4yhsA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		5 ILE A 243
LEU A 389
ARG A 354
TYR A 262
THR A 254
 None
None
UNL  A 601 ( 3.0A)
None
None
 1.16A 2w3mB-4yycA:
undetectable		 2w3mB-4yycA:
16.44
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.51A 2w3mB-5dxvA:
12.5		 2w3mB-5dxvA:
28.35
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
None
None
 0.84A 2w3mB-5ecxA:
20.1		 2w3mB-5ecxA:
27.96
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
5N1  A 202 ( 4.7A)
None
 0.75A 2w3mB-5ecxA:
20.1		 2w3mB-5ecxA:
27.96
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.
5ed1 DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Homo sapiens) 		PF02137
(A_deamin) 		5 ILE A 425
LEU A 415
PHE A 434
PHE A 426
LEU A 533
 None
 1.32A 2w3mB-5ed1A:
undetectable		 2w3mB-5ed1A:
18.66
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.
5f5v PRP38
ZINC FINGER
DOMAIN-CONTAINING
PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF03371
(PRP38)
no annotation 		5 ILE A  61
ALA A  59
LEU C 148
GLN A  52
TYR A 105
 None
 1.21A 2w3mB-5f5vA:
undetectable		 2w3mB-5f5vA:
21.59
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
ALA A   8
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.14A 2w3mB-5fdaA:
14.3		 2w3mB-5fdaA:
32.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ILE B  20
ALA B  32
LEU B  59
PHE B  24
ASN B  73
 None
 1.25A 2w3mB-5hzlB:
undetectable		 2w3mB-5hzlB:
21.94
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.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1

(Zaire
ebolavirus) 		PF01611
(Filo_glycop) 		5 ALA A  82
GLU A 178
PHE A 160
PHE A 176
TYR A 232
 None
 1.28A 2w3mB-5kenA:
undetectable		 2w3mB-5kenA:
19.58
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 ALA A 416
LEU A 460
PHE A 407
ASN A 481
THR A 415
 None
 1.22A 2w3mB-5ng6A:
undetectable		 2w3mB-5ng6A:
8.99
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
LEU A  23
PHE A  32
PHE A  35
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
None
None
None
73X  A 704 (-4.2A)
 0.37A 2w3mB-5t0lA:
23.9		 2w3mB-5t0lA:
16.02
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		5 ALA A 199
GLU A 148
GLN A 162
LEU A 161
TYR A 213
 None
 1.17A 2w3mB-5ts5A:
undetectable		 2w3mB-5ts5A:
18.33
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.
5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X

(Homo sapiens) 		no annotation 5 ILE A1744
ALA A1948
PHE A1921
PHE A1816
GLN A1748
 None
 1.05A 2w3mB-5wchA:
undetectable		 2w3mB-5wchA:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 ILE A 101
LEU A 107
GLU A 105
ASN A  50
THR A 132
 SAM  A 800 (-4.3A)
None
None
None
None
 1.22A 2w3mB-5wy0A:
2.5		 2w3mB-5wy0A:
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.
5z2e DIHYDRODIPICOLINATE
REDUCTASE

(Paenisporosarcina
sp. TG-14) 		no annotation 5 ALA A  17
LEU A  75
PHE A 127
PHE A 239
THR A  20
 None
 1.19A 2w3mB-5z2eA:
undetectable		 2w3mB-5z2eA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.43A 2w3mB-6cxmA:
20.2		 2w3mB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  20
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
None
None
MMV  A 202 (-4.3A)
 0.64A 2w3mB-6e4eA:
20.2		 2w3mB-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.
6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 ALA A  82
GLU A 178
PHE A 160
LEU A 122
TYR A 232
 GOL  A 506 ( 4.7A)
GOL  A 506 (-4.0A)
None
None
None
 1.30A 2w3mB-6f6sA:
undetectable		 2w3mB-6f6sA:
undetectable