SIMILAR PATTERNS OF AMINO ACIDS FOR 1U70_A_MTXA187_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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
GLU A  30
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
None
None
None
 0.61A 1u70A-1dr6A:
31.1		 1u70A-1dr6A:
75.81
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.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PHE A 816
PRO A 755
LEU A 760
 None
 1.29A 1u70A-1gyuA:
undetectable		 1u70A-1gyuA:
21.65
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.
1gyv ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PHE A 816
PRO A 755
LEU A 760
 None
 1.36A 1u70A-1gyvA:
undetectable		 1u70A-1gyvA:
22.58
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.
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
 1.19A 1u70A-1hjqA:
undetectable		 1u70A-1hjqA:
18.75
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) 		8 ILE A   7
ALA A   9
ARG A  22
GLU A  30
PRO A  61
ASN A  64
LEU A  67
ARG A  70
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-4.5A)
MXA  A 187 (-2.9A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
 1.18A 1u70A-1u71A:
31.1		 1u70A-1u71A:
89.78
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) 		8 ILE A   7
ALA A   9
GLU A  30
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
None
 0.51A 1u70A-1u71A:
31.1		 1u70A-1u71A:
89.78
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.
1vh1 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF02348
(CTP_transf_3) 		5 ILE A 104
ALA A  37
GLN A 227
ASN A 115
LEU A 126
 None
 1.27A 1u70A-1vh1A:
undetectable		 1u70A-1vh1A:
19.77
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ALA A 318
PHE A 309
GLN A 107
PRO A 268
TYR A 262
 None
 1.45A 1u70A-1xj5A:
undetectable		 1u70A-1xj5A:
20.30
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ILE A  13
ALA A  15
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.55A 1u70A-2blbA:
22.1		 1u70A-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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 ILE A 941
PHE A 914
GLN A 915
PRO A1066
LEU A1046
 None
 1.37A 1u70A-2ec5A:
2.5		 1u70A-2ec5A:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
PRO A  85
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
None
None
None
 0.39A 1u70A-2h2qA:
22.0		 1u70A-2h2qA:
18.55
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 ALA A   8
GLU A  28
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.49A 1u70A-2qk8A:
20.9		 1u70A-2qk8A:
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		5 ALA A 439
ARG A 190
GLN A 418
PRO A 193
TYR A 137
 None
 1.35A 1u70A-2vmfA:
undetectable		 1u70A-2vmfA:
12.08
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.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		5 ILE A  47
ALA A 244
GLN A  50
PRO A  86
ARG A  61
 None
 1.49A 1u70A-2w1vA:
undetectable		 1u70A-2w1vA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
PRO A  55
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.74A 1u70A-2w3wA:
21.2		 1u70A-2w3wA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
None
None
 0.43A 1u70A-2w9sA:
20.3		 1u70A-2w9sA:
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 ILE A 177
ALA A 172
GLN A 420
PRO A 267
ASN A 266
 None
ACA  A 602 (-3.6A)
None
None
None
 1.33A 1u70A-3a2qA:
undetectable		 1u70A-3a2qA:
15.13
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.
3cxm URACIL-DNA
GLYCOSYLASE

(Leishmania
naiffi) 		PF03167
(UDG) 		5 ILE A 292
ALA A 290
PHE A 148
PRO A 300
LEU A 303
 None
 1.49A 1u70A-3cxmA:
undetectable		 1u70A-3cxmA:
18.32
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.43A 1u70A-3dg8A:
22.3		 1u70A-3dg8A:
27.05
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) 		6 ILE A   6
ALA A   8
GLU A  28
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.40A 1u70A-3ia4A:
20.7		 1u70A-3ia4A:
31.91
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
ALA A  10
GLU A  30
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.50A 1u70A-3ix9A:
21.2		 1u70A-3ix9A:
32.18
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.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik) 		no annotation 5 ILE A 127
ALA A 124
ARG A 240
PRO A 348
ARG A 132
 None
 1.29A 1u70A-3j26A:
undetectable		 1u70A-3j26A:
16.34
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.
3j8g GTPASE DER

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 ILE X 292
ALA X 294
GLU X 332
PHE X 352
ASN X 363
 None
None
None
None
G  B1845 ( 3.2A)
 1.49A 1u70A-3j8gX:
undetectable		 1u70A-3j8gX:
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 ILE A 422
GLN A 541
ASN A 412
LEU A 413
ARG A 549
 None
 1.45A 1u70A-3j9dA:
undetectable		 1u70A-3j9dA:
11.51
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.
3k6h NITROREDUCTASE
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF00881
(Nitroreductase) 		5 ILE A 129
ALA A 131
PRO A  27
LEU A  24
TYR A  12
 None
 1.24A 1u70A-3k6hA:
undetectable		 1u70A-3k6hA:
19.63
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
PRO A  74
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
None
None
None
 0.78A 1u70A-3kjrA:
22.8		 1u70A-3kjrA:
20.78
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.
3put HYPOTHETICAL
CONSERVED PROTEIN

(Rhizobium etli) 		PF08327
(AHSA1) 		5 ALA A  75
GLU A  59
PHE A  38
ASN A 145
LEU A 143
 None
HEZ  A 167 ( 4.3A)
HEZ  A 167 ( 4.2A)
None
HEZ  A 167 (-4.5A)
 1.35A 1u70A-3putA:
undetectable		 1u70A-3putA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
PRO A  91
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-4.3A)
None
None
None
 0.54A 1u70A-3rg9A:
21.9		 1u70A-3rg9A:
31.90
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 151
ALA A 227
PRO A 215
ASN A 216
LEU A 162
 None
 1.22A 1u70A-3tqpA:
undetectable		 1u70A-3tqpA:
16.90
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
None
None
None
None
 0.49A 1u70A-3um6A:
22.3		 1u70A-3um6A:
15.22
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) 		5 ALA A   8
PRO A  58
LEU A  64
ARG A  67
TYR A 117
 None
 0.63A 1u70A-3vcoA:
24.4		 1u70A-3vcoA:
40.93
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ILE A 385
ALA A 387
ARG A 334
GLN A 302
ARG A 345
 None
 1.47A 1u70A-3vtfA:
2.1		 1u70A-3vtfA:
19.23
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 ARG A 647
GLN A 656
ASN A 572
LEU A 576
TYR A 385
 None
 1.42A 1u70A-3wrfA:
undetectable		 1u70A-3wrfA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 ILE A 565
ALA A 504
PHE A 156
GLN A 157
PRO A 560
 None
 1.44A 1u70A-4fzhA:
undetectable		 1u70A-4fzhA:
16.57
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
ALA X  12
GLU X  32
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.45A 1u70A-4g8zX:
24.9		 1u70A-4g8zX:
36.89
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 ILE A   9
ALA A  11
GLU A  32
PRO A  63
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
None
None
None
None
 0.71A 1u70A-4h96A:
21.2		 1u70A-4h96A:
35.71
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 ILE A   9
ALA A  11
GLU A  32
PRO A  63
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.4A)
None
None
None
 0.44A 1u70A-4h98A:
22.0		 1u70A-4h98A:
38.64
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.
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
 1.29A 1u70A-4jpdA:
undetectable		 1u70A-4jpdA:
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.
4kk7 ESX-1 SECRETION
SYSTEM PROTEIN ECCB1

(Mycobacterium
tuberculosis) 		PF05108
(T7SS_ESX1_EccB) 		5 ILE A 441
ALA A 235
GLN A 349
PRO A 180
LEU A 172
 None
 1.23A 1u70A-4kk7A:
undetectable		 1u70A-4kk7A:
18.80
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) 		6 ILE A   5
ALA A   7
PRO A  51
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.2A)
None
None
None
 0.60A 1u70A-4m2xA:
20.2		 1u70A-4m2xA:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LYS A  55
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
XCN  A  54 ( 3.1A)
MTX  A 201 (-3.0A)
None
 1.11A 1u70A-4p68A:
20.4		 1u70A-4p68A:
32.11
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.
4qgr DEGT/DNRJ/ERYC1/STRS
AMINOTRANSFERASE

(Brucella
abortus) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A 309
GLN A 359
PRO A 277
ASN A 267
LEU A 270
 None
 1.17A 1u70A-4qgrA:
undetectable		 1u70A-4qgrA:
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A1012
ARG A1014
PHE A1034
LEU A 854
TYR A 978
 None
 1.47A 1u70A-4rcnA:
undetectable		 1u70A-4rcnA:
10.26
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 191
ALA A 140
PHE A 129
GLN A 131
TYR A 204
 None
 1.45A 1u70A-4um8A:
undetectable		 1u70A-4um8A:
13.50
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		5 ILE A 397
GLN A 459
PRO A 191
LEU A 463
TYR A 265
 None
 1.50A 1u70A-4wj3A:
undetectable		 1u70A-4wj3A:
17.99
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.
5byu THIOESTERASE

(Legionella
pneumophila) 		PF13279
(4HBT_2) 		5 ILE A  77
ALA A 103
PHE A  32
GLN A  36
ARG A  39
 None
 1.41A 1u70A-5byuA:
undetectable		 1u70A-5byuA:
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
None
None
None
 0.30A 1u70A-5dxvA:
12.5		 1u70A-5dxvA:
29.23
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.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		5 ILE A 100
ALA A 104
GLN A  66
PRO A  52
ASN A  53
 None
 1.23A 1u70A-5f1yA:
undetectable		 1u70A-5f1yA:
20.36
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) 		5 ILE A   6
ALA A   8
LEU A  55
ARG A  58
TYR A 101
 None
 1.23A 1u70A-5fdaA:
14.6		 1u70A-5fdaA:
31.25
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 ILE A 822
PHE A1306
GLN A1311
ASN A1304
LEU A1294
 None
None
PC1  A1915 (-3.7A)
None
None
 1.45A 1u70A-5gjvA:
undetectable		 1u70A-5gjvA:
8.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 ALA C 134
PHE C  80
GLN C  78
LEU C  69
ARG C  42
 None
None
None
URA  C 301 (-3.9A)
None
 1.35A 1u70A-5gnwC:
undetectable		 1u70A-5gnwC:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mll DNA PROCESSING CHAIN
A (DPRA)

(Helicobacter
pylori) 		no annotation 5 ILE A  76
ALA A  47
ARG A 143
PRO A 109
ASN A 112
 None
 1.39A 1u70A-5mllA:
undetectable		 1u70A-5mllA:
22.79
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.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		5 ILE A 172
ALA A 164
ARG A 219
ASN A  12
LEU A  13
 None
 1.43A 1u70A-5ocsA:
undetectable		 1u70A-5ocsA:
17.74
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.
5ohs -

(-) 		no annotation 5 ILE A 257
ALA A 240
ARG A 518
GLN A 530
ARG A 253
 None
 1.47A 1u70A-5ohsA:
undetectable		 1u70A-5ohsA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
PHE A  32
PRO A  88
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-4.7A)
73X  A 704 (-4.0A)
None
None
None
 0.51A 1u70A-5t0lA:
23.8		 1u70A-5t0lA:
15.52
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.
5vgc NLEG5-1 EFFECTOR

(Enterobacteria
phage YYZ-2008) 		no annotation 5 ILE A 189
ALA A 181
GLN A 113
ASN A 111
LEU A 114
 None
CL  A 306 ( 4.6A)
None
None
None
 1.47A 1u70A-5vgcA:
undetectable		 1u70A-5vgcA:
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.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 5 ILE A  99
ALA A 250
PRO A 206
ASN A 209
LEU A 210
 None
 1.39A 1u70A-5wa0A:
undetectable		 1u70A-5wa0A:
18.06
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.
5wtk CRISPR-ASSOCIATED
ENDORIBONUCLEASE
C2C2

(Leptotrichia
shahii) 		no annotation 5 ILE A 707
ALA A 705
PHE A 795
ASN A 687
LEU A 683
 None
 1.44A 1u70A-5wtkA:
undetectable		 1u70A-5wtkA:
8.66
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 ILE A 822
PHE A1306
GLN A1311
ASN A1304
LEU A1294
 None
 1.45A 1u70A-6byoA:
undetectable		 1u70A-6byoA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ALA A   8
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.53A 1u70A-6cxmA:
19.8		 1u70A-6cxmA:
20.25
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.
6f5u 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
 None
 1.43A 1u70A-6f5uA:
undetectable		 1u70A-6f5uA:
21.02
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.
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
 1.38A 1u70A-6f6sA:
undetectable		 1u70A-6f6sA:
21.02