SIMILAR PATTERNS OF AMINO ACIDS FOR 6GBN_C_ADNC501

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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 HIS A 150
ASP A 141
LEU A  49
LEU A  36
PHE A 185
 None
 1.21A 6gbnC-1ac5A:
4.3		 6gbnC-1ac5A:
21.43
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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 THR A  25
ASP A  20
LYS A 116
ASP A 117
LEU A  22
 None
 1.28A 6gbnC-1auaA:
undetectable		 6gbnC-1auaA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fb5 ORNITHINE
TRANSCARBAMOYLASE

(Ovis aries) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  59
THR A 343
ASP A  62
LEU A  74
LEU A  76
 None
 1.45A 6gbnC-1fb5A:
5.0		 6gbnC-1fb5A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.22A 6gbnC-1g7rA:
3.5		 6gbnC-1g7rA:
23.10
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.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A 103
HIS A 104
ASP A  33
LEU A   3
HIS A  85
 None
 1.41A 6gbnC-1tj7A:
undetectable		 6gbnC-1tj7A:
23.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
LEU A 392
HIS A 398
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.27A 6gbnC-1v8bA:
54.8		 6gbnC-1v8bA:
49.48
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.
1vma CELL DIVISION
PROTEIN FTSY

(Thermotoga
maritima) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A  79
THR A 256
LEU A 292
LEU A 291
PHE A 282
 None
 1.50A 6gbnC-1vmaA:
undetectable		 6gbnC-1vmaA:
22.00
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 LEU A 103
GLU A 223
LEU A 301
HIS A 272
PHE A 221
 None
 1.33A 6gbnC-2bb0A:
undetectable		 6gbnC-2bb0A:
24.90
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 205
GLU A 201
ASP A 320
LEU A 274
PHE A 236
 None
 1.46A 6gbnC-2eu9A:
undetectable		 6gbnC-2eu9A:
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		5 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
 INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
 1.43A 6gbnC-2huoA:
undetectable		 6gbnC-2huoA:
19.82
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.
2ml8 FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 187
THR A 197
GLU A 202
LEU A 206
LEU A 209
 None
 1.19A 6gbnC-2ml8A:
undetectable		 6gbnC-2ml8A:
17.24
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
 None
 1.40A 6gbnC-2pqdA:
undetectable		 6gbnC-2pqdA:
21.89
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 125
THR A 122
GLU A  96
LEU A  52
LEU A 119
 None
 1.39A 6gbnC-2waaA:
5.8		 6gbnC-2waaA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.15A 6gbnC-3ce6A:
55.7		 6gbnC-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.59A 6gbnC-3ce6A:
55.7		 6gbnC-3ce6A:
54.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  51
ASP A 130
GLU A 155
LEU A 343
HIS A 352
 None
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 3.6A)
 1.35A 6gbnC-3g1uA:
60.1		 6gbnC-3g1uA:
63.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LEU A 343
LEU A 346
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.56A 6gbnC-3g1uA:
60.1		 6gbnC-3g1uA:
63.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 229
ASP A 233
LEU A 388
 RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
 1.39A 6gbnC-3glqA:
58.4		 6gbnC-3glqA:
59.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  67
ASP A 139
ASP A 233
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 (-3.6A)
 1.39A 6gbnC-3glqA:
58.4		 6gbnC-3glqA:
59.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 None
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
 1.26A 6gbnC-3glqA:
58.4		 6gbnC-3glqA:
59.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
LEU A 388
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.39A 6gbnC-3glqA:
58.4		 6gbnC-3glqA:
59.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  52
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
HIS A 352
 ADN  A 439 ( 4.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 3.3A)
 1.44A 6gbnC-3h9uA:
62.1		 6gbnC-3h9uA:
65.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
LEU A 346
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.18A 6gbnC-3h9uA:
62.1		 6gbnC-3h9uA:
65.92
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.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 LEU A  98
LEU A 106
LEU A  67
MET A  13
PHE A  71
 None
 1.49A 6gbnC-3htvA:
undetectable		 6gbnC-3htvA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.31A 6gbnC-3n58A:
59.3		 6gbnC-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.27A 6gbnC-3n58A:
59.3		 6gbnC-3n58A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
HIS A 404
 ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 (-3.4A)
 1.44A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
HIS A  62
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
 None
ADE  A 506 (-4.6A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.34A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.51A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
 None
 0.91A 6gbnC-3pf7A:
undetectable		 6gbnC-3pf7A:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  54
GLU A  50
ASP A 143
LEU A 116
PHE A  79
 None
38R  A 350 ( 4.8A)
NA  A 353 ( 2.5A)
None
38R  A 350 (-4.1A)
 1.44A 6gbnC-3zduA:
undetectable		 6gbnC-3zduA:
21.18
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.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 440
THR A 455
GLU A 366
HIS A 346
PHE A 349
 None
 1.22A 6gbnC-4kc8A:
undetectable		 6gbnC-4kc8A:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  58
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
HIS A 392
 ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.5A)
 1.47A 6gbnC-4lvcA:
58.5		 6gbnC-4lvcA:
60.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
LEU A 386
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.23A 6gbnC-4lvcA:
58.5		 6gbnC-4lvcA:
60.41
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.
5cr9 ABC-TYPE
FE3+-HYDROXAMATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Saccharomonospora
viridis) 		PF01497
(Peripla_BP_2) 		5 LEU A 180
ASP A 130
LEU A  63
LEU A 133
PHE A  54
 None
 1.12A 6gbnC-5cr9A:
undetectable		 6gbnC-5cr9A:
21.35
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.
5ep1 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
 1.48A 6gbnC-5ep1A:
undetectable		 6gbnC-5ep1A:
22.55
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 HIS A 204
THR A 201
ASP A  79
LEU A 222
HIS A 119
 None
None
None
None
ZN  A 401 (-3.3A)
 1.39A 6gbnC-5hifA:
undetectable		 6gbnC-5hifA:
21.14
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.27A 6gbnC-5ks8C:
undetectable		 6gbnC-5ks8C:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		5 LEU A 283
THR A 247
GLU A 280
LEU A 366
PHE A 345
 None
HEM  A 501 ( 4.3A)
None
None
HEM  A 501 (-4.5A)
 1.48A 6gbnC-5l94A:
undetectable		 6gbnC-5l94A:
19.00
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.
5na2 CAPSID PROTEIN (P24)

(Feline
immunodeficiency
virus) 		no annotation 5 LEU A 129
LEU A  75
LEU A  72
MET A  51
PHE A  39
 None
 1.44A 6gbnC-5na2A:
undetectable		 6gbnC-5na2A:
19.46
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
 None
 1.48A 6gbnC-5okoA:
undetectable		 6gbnC-5okoA:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 123
THR A 124
ASP A 113
LEU A 156
LEU A 150
 None
 1.16A 6gbnC-5tovA:
29.9		 6gbnC-5tovA:
41.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  53
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
HIS A 410
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 3.5A)
 1.50A 6gbnC-5utuA:
52.9		 6gbnC-5utuA:
47.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
LEU A 404
HIS A 410
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.27A 6gbnC-5utuA:
52.9		 6gbnC-5utuA:
47.90
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 HIS A 716
ASP A 363
GLU A 720
LYS A 740
LEU A 681
 PO4  A 812 (-3.8A)
None
None
None
None
 1.48A 6gbnC-5v1wA:
undetectable		 6gbnC-5v1wA:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  59
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
HIS A 395
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 3.4A)
 1.48A 6gbnC-5v96A:
56.7		 6gbnC-5v96A:
54.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
LEU A 389
HIS A 395
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.22A 6gbnC-5v96A:
56.7		 6gbnC-5v96A:
54.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 604
THR A 665
GLU A 567
ASP A 756
HIS A 730
 None
 1.34A 6gbnC-5vywA:
undetectable		 6gbnC-5vywA:
17.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.89A 6gbnC-5w4bA:
52.9		 6gbnC-5w4bA:
65.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.78A 6gbnC-5w4bA:
52.9		 6gbnC-5w4bA:
65.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
LEU A 344
LEU A 347
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 1.01A 6gbnC-5w4bA:
52.9		 6gbnC-5w4bA:
65.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.39A 6gbnC-5w4bA:
52.9		 6gbnC-5w4bA:
65.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 5 LEU A 193
LEU A 235
LEU A 214
MET A 182
PHE A 156
 None
 1.26A 6gbnC-5yq5A:
undetectable		 6gbnC-5yq5A:
11.03
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 LEU A 583
THR A 496
ASP A 609
LEU A 537
LEU A 541
 None
 1.06A 6gbnC-5z0uA:
undetectable		 6gbnC-5z0uA:
13.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
ASP A 136
LYS A 191
ASP A 195
LEU A 352
 ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
 1.39A 6gbnC-6aphA:
66.5		 6gbnC-6aphA:
77.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 None
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 3.5A)
 1.39A 6gbnC-6aphA:
66.5		 6gbnC-6aphA:
77.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
LEU A 352
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.58A 6gbnC-6aphA:
66.5		 6gbnC-6aphA:
77.08
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.
6f3m -

(-) 		no annotation 7 HIS B  61
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
HIS B 382
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 (-3.4A)
 1.44A 6gbnC-6f3mB:
57.6		 6gbnC-6f3mB:
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.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.28A 6gbnC-6f3mB:
57.6		 6gbnC-6f3mB:
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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		4 GLN A   2
THR A   3
HIS A  67
GLY A  83
 CA  A 501 (-3.5A)
None
None
None
 1.19A 6gbnC-1bh6A:
4.7		 6gbnC-1bh6A:
23.47
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.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		4 GLN A 255
THR A  16
HIS A 284
GLY A 247
 None
 1.21A 6gbnC-1bxcA:
2.2		 6gbnC-1bxcA:
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.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		4 GLN A   2
THR A   3
HIS A  67
GLY A  83
 CA  A 282 (-3.3A)
None
None
None
 1.19A 6gbnC-1c3lA:
2.9		 6gbnC-1c3lA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cfr RESTRICTION
ENDONUCLEASE

(Citrobacter
freundii) 		PF07832
(Bse634I) 		4 GLN A 216
THR A 221
HIS A 182
GLY A 226
 None
 1.08A 6gbnC-1cfrA:
undetectable		 6gbnC-1cfrA:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 GLN A 232
THR A 163
HIS A 240
GLY A 317
 None
ACT  A 631 ( 4.9A)
FE2  A 629 (-3.3A)
None
 1.22A 6gbnC-1cjxA:
undetectable		 6gbnC-1cjxA:
21.41
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.14A 6gbnC-1ddkA:
2.8		 6gbnC-1ddkA:
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.
1g3r CELL DIVISION
INHIBITOR

(Pyrococcus
furiosus) 		PF13614
(AAA_31) 		4 GLN A  77
THR A  76
THR A  20
GLY A 210
 None
 1.00A 6gbnC-1g3rA:
2.8		 6gbnC-1g3rA:
20.05
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 GLN A 249
THR A 211
THR A 806
GLY A 402
 None
 1.22A 6gbnC-1hwwA:
undetectable		 6gbnC-1hwwA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ion PROBABLE CELL
DIVISION INHIBITOR
MIND

(Pyrococcus
horikoshii) 		PF13614
(AAA_31) 		4 GLN A  77
THR A  76
THR A  20
GLY A 210
 None
 1.05A 6gbnC-1ionA:
undetectable		 6gbnC-1ionA:
23.43
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.
1kg0 GP42 PROTEIN

(Human
gammaherpesvirus
4) 		no annotation 4 GLN C 219
THR C 100
THR C 104
GLY C 113
 None
 0.93A 6gbnC-1kg0C:
undetectable		 6gbnC-1kg0C:
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.
1mzh DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Aquifex
aeolicus) 		PF01791
(DeoC) 		4 THR A 169
THR A 215
HIS A 220
GLY A 161
 None
 1.17A 6gbnC-1mzhA:
2.8		 6gbnC-1mzhA:
21.38
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		4 GLN A 112
THR A  66
HIS A  62
GLY A  35
 HEM  A 992 (-3.1A)
None
None
None
 1.13A 6gbnC-1pbyA:
undetectable		 6gbnC-1pbyA:
23.09
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		4 GLN A 433
THR A 432
THR A 481
GLY A 504
 None
 1.15A 6gbnC-1q47A:
undetectable		 6gbnC-1q47A:
21.77
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.
1qqh PAPILLOMAVIRUS
TRANSCRIPTION FACTOR
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		4 GLN A 115
THR A 116
THR A 104
GLY A 113
 None
 1.21A 6gbnC-1qqhA:
undetectable		 6gbnC-1qqhA:
16.78
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.
1s7s H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, K-B ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 GLN A 242
THR A 233
THR A  31
GLY A 207
 None
 1.19A 6gbnC-1s7sA:
undetectable		 6gbnC-1s7sA:
20.35
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		4 THR A 329
THR A 226
HIS A 152
GLY A 212
 None
None
None
SO4  A 400 (-3.4A)
 1.15A 6gbnC-1tuuA:
undetectable		 6gbnC-1tuuA:
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		4 GLN A 351
THR A 329
THR A 362
GLY A 157
 None
 1.07A 6gbnC-1u7gA:
undetectable		 6gbnC-1u7gA:
22.13
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.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		4 THR A 203
THR A 157
HIS A 101
GLY A  10
 CTP  A 500 ( 4.6A)
None
None
CTP  A 500 (-3.2A)
 1.20A 6gbnC-1vpaA:
2.3		 6gbnC-1vpaA:
20.09
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 THR A 231
THR A 253
HIS A 215
GLY A 225
 None
None
ZN  A 422 ( 3.3A)
None
 1.16A 6gbnC-1zl6A:
undetectable		 6gbnC-1zl6A:
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		4 THR A 214
THR A  48
HIS A 135
GLY A 267
 ANP  A1304 (-3.4A)
None
None
None
 1.19A 6gbnC-2c49A:
2.4		 6gbnC-2c49A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efl FORMIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00611
(FCH) 		4 GLN A 214
THR A  18
HIS A  17
GLY A   4
 None
 1.21A 6gbnC-2eflA:
undetectable		 6gbnC-2eflA:
21.83
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 GLN A 631
THR A 632
THR A 514
HIS A  25
 None
 0.94A 6gbnC-2iceA:
undetectable		 6gbnC-2iceA:
21.76
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.
2iir ACETATE KINASE

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		4 THR A 329
THR A 225
HIS A 151
GLY A 211
 None
 1.12A 6gbnC-2iirA:
2.3		 6gbnC-2iirA:
21.46
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		4 THR A 164
THR A  73
HIS A  71
GLY A 117
 None
 1.02A 6gbnC-2ilxA:
undetectable		 6gbnC-2ilxA:
18.82
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.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		4 THR A 116
THR A 109
HIS A 335
GLY A 135
 None
 1.04A 6gbnC-2ip1A:
undetectable		 6gbnC-2ip1A:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 THR A 220
THR A 261
HIS A 258
GLY A 200
 None
NAD  A 394 (-4.4A)
NAD  A 394 (-4.4A)
NAD  A 394 (-3.4A)
 1.21A 6gbnC-2nadA:
5.6		 6gbnC-2nadA:
19.74
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		4 THR A 427
THR A  78
HIS A  83
GLY A 424
 None
 1.21A 6gbnC-2nlzA:
undetectable		 6gbnC-2nlzA:
24.05
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.02A 6gbnC-2nvvA:
undetectable		 6gbnC-2nvvA:
23.48
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		4 GLN A  62
THR A 166
HIS A 170
GLY A 307
 None
MG  A1477 ( 4.5A)
PO4  A1474 (-4.5A)
None
 1.17A 6gbnC-2x98A:
undetectable		 6gbnC-2x98A:
22.82
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.
2yew E1 ENVELOPE
GLYCOPROTEIN

(Barmah Forest
virus) 		PF01589
(Alpha_E1_glycop) 		4 GLN B 204
THR B  48
THR B  53
GLY B 195
 None
 1.11A 6gbnC-2yewB:
undetectable		 6gbnC-2yewB:
23.02
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 GLN A 198
THR A 197
HIS A 125
GLY A 194
 None
 1.17A 6gbnC-3ak5A:
undetectable		 6gbnC-3ak5A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8p CHAIN LENGTH
DETERMINANT PROTEIN

(Salmonella
enterica) 		PF02706
(Wzz) 		4 GLN A 145
THR A 284
THR A 120
GLY A 143
 None
 1.09A 6gbnC-3b8pA:
undetectable		 6gbnC-3b8pA:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  73
THR A  74
THR A 219
HIS A 363
GLY A 415
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.19A 6gbnC-3ce6A:
55.7		 6gbnC-3ce6A:
54.23
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.
3dci ARYLESTERASE

(Agrobacterium
fabrum) 		PF13472
(Lipase_GDSL_2) 		4 THR A  89
THR A 193
HIS A  23
GLY A   8
 ACY  A 220 ( 4.2A)
None
None
None
 1.15A 6gbnC-3dciA:
5.8		 6gbnC-3dciA:
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.
3dci ARYLESTERASE

(Agrobacterium
fabrum) 		PF13472
(Lipase_GDSL_2) 		4 THR A  89
THR A 193
HIS A  23
GLY A  49
 ACY  A 220 ( 4.2A)
None
None
ACY  A 220 ( 3.8A)
 1.08A 6gbnC-3dciA:
5.8		 6gbnC-3dciA:
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.
3dyj TALIN-1

(Mus musculus) 		no annotation 4 GLN A2077
THR A2076
THR A2140
GLY A2065
 None
 1.19A 6gbnC-3dyjA:
undetectable		 6gbnC-3dyjA:
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		4 GLN A  18
THR A 112
HIS A 116
GLY A 276
 None
MG  A 603 ( 4.8A)
SO4  A 610 ( 4.8A)
None
 1.22A 6gbnC-3e2dA:
undetectable		 6gbnC-3e2dA:
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 GLN A 253
THR A 254
THR A 187
GLY A 251
 None
 1.15A 6gbnC-3fn9A:
undetectable		 6gbnC-3fn9A:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
THR A 156
HIS A 300
GLY A 351
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 3.8A)
 0.19A 6gbnC-3g1uA:
60.1		 6gbnC-3g1uA:
63.88
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 292
THR A  93
HIS A  67
GLY A 155
 NAD  A 500 (-3.6A)
None
None
None
 1.13A 6gbnC-3gfbA:
2.9		 6gbnC-3gfbA:
22.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 200
HIS A 344
GLY A 393
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 3.8A)
 0.17A 6gbnC-3glqA:
58.4		 6gbnC-3glqA:
59.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
THR A 156
HIS A 300
GLY A 351
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
None
ADN  A 439 (-3.5A)
 0.34A 6gbnC-3h9uA:
62.1		 6gbnC-3h9uA:
65.92
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		4 GLN A1056
THR A1057
THR A1004
GLY A1119
 None
 1.08A 6gbnC-3hx6A:
undetectable		 6gbnC-3hx6A:
22.28
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 THR A  21
THR A  50
HIS A 309
GLY A  15
 None
 1.21A 6gbnC-3i3lA:
4.1		 6gbnC-3i3lA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		4 GLN P 215
THR P 214
THR P 252
GLY P 218
 None
 1.22A 6gbnC-3izyP:
undetectable		 6gbnC-3izyP:
22.94
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 THR K 281
THR K 337
HIS K 443
GLY K 425
 None
 1.07A 6gbnC-3jblK:
undetectable		 6gbnC-3jblK:
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.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		4 THR A 320
THR A 218
HIS A 146
GLY A 204
 None
 1.04A 6gbnC-3khyA:
undetectable		 6gbnC-3khyA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkj CD40 LIGAND

(Homo sapiens) 		PF00229
(TNF) 		4 GLN A 160
THR A 254
HIS A 249
GLY A 158
 None
 1.10A 6gbnC-3lkjA:
undetectable		 6gbnC-3lkjA:
15.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  59
THR A  60
THR A 193
HIS A 337
GLY A 386
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.17A 6gbnC-3n58A:
59.3		 6gbnC-3n58A:
60.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		4 GLN A 516
THR A 314
THR A 506
GLY A 502
 None
 1.11A 6gbnC-3ohnA:
undetectable		 6gbnC-3ohnA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 206
HIS A 350
GLY A 403
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 3.6A)
 0.15A 6gbnC-3oneA:
55.4		 6gbnC-3oneA:
58.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 THR A 286
THR A 210
HIS A 212
GLY A  78
 None
 1.13A 6gbnC-3pxnA:
undetectable		 6gbnC-3pxnA:
20.09
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.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 THR A 331
THR A 228
HIS A 154
GLY A 214
 None
 1.08A 6gbnC-3slcA:
undetectable		 6gbnC-3slcA:
23.44
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.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 4 GLN A  55
THR A  56
THR A 148
GLY A 187
 None
 1.23A 6gbnC-3uxfA:
undetectable		 6gbnC-3uxfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9r ABSCISIC ACID
RECEPTOR PYL9

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		4 THR A 127
THR A  35
HIS A  25
GLY A  14
 None
 1.16A 6gbnC-3w9rA:
undetectable		 6gbnC-3w9rA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		4 GLN A  18
THR A 112
HIS A 116
GLY A 272
 None
MG  A 501 ( 4.8A)
None
None
 1.21A 6gbnC-3wbhA:
undetectable		 6gbnC-3wbhA:
22.18
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.
3zi5 RESTRICTION
ENDONUCLEASE

(Bacillus firmus) 		no annotation 4 GLN A 223
THR A 219
THR A 293
GLY A 224
 None
 1.12A 6gbnC-3zi5A:
undetectable		 6gbnC-3zi5A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		4 THR A 102
THR A  47
HIS A  48
GLY A 128
 None
None
ZN  A 301 (-3.2A)
None
 1.10A 6gbnC-4axvA:
undetectable		 6gbnC-4axvA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLN A  45
THR A  42
THR A  69
GLY A  14
 None
 1.14A 6gbnC-4bguA:
6.3		 6gbnC-4bguA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		4 GLN A 391
THR A 449
HIS A 330
GLY A 352
 None
 1.05A 6gbnC-4ccdA:
undetectable		 6gbnC-4ccdA:
19.73
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.17A 6gbnC-4cnkA:
2.1		 6gbnC-4cnkA:
23.98
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.
4e2c CHIMERIC WZZB CHAIN
LENGTH DETERMINANT
PROTEIN

(Salmonella
enterica;
Shigella
flexneri) 		no annotation 4 GLN A 145
THR A 284
THR A 120
GLY A 143
 None
 1.11A 6gbnC-4e2cA:
undetectable		 6gbnC-4e2cA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 THR A 324
THR A 221
HIS A 147
GLY A 207
 None
None
None
ATP  A 405 ( 3.4A)
 1.08A 6gbnC-4fwmA:
2.4		 6gbnC-4fwmA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		4 THR A 321
THR A 217
HIS A 146
GLY A 203
 None
 1.18A 6gbnC-4h0oA:
undetectable		 6gbnC-4h0oA:
21.96
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		4 THR B 162
THR B 170
HIS B 224
GLY B 190
 None
 1.22A 6gbnC-4hstB:
undetectable		 6gbnC-4hstB:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 GLN A 251
THR A 252
THR A 289
GLY A 338
 None
None
None
0J9  A 601 (-4.0A)
 1.14A 6gbnC-4k11A:
undetectable		 6gbnC-4k11A:
21.76
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.
4loa DE-NOVO DESIGN
AMIDASE

(synthetic
construct) 		PF01202
(SKI) 		4 THR A  80
THR A 134
HIS A 130
GLY A  14
 None
None
None
CL  A 201 ( 4.7A)
 1.12A 6gbnC-4loaA:
undetectable		 6gbnC-4loaA:
16.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 198
HIS A 342
GLY A 391
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.6A)
 0.10A 6gbnC-4lvcA:
58.5		 6gbnC-4lvcA:
60.41
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		4 GLN A 583
THR A 561
THR A 547
GLY A 606
 None
 1.21A 6gbnC-4n4rA:
undetectable		 6gbnC-4n4rA:
19.92
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.
4nar PUTATIVE URONATE
ISOMERASE

(Thermotoga
maritima) 		PF09861
(DUF2088) 		4 THR A 157
THR A 284
HIS A  73
GLY A 150
 None
None
SO4  A 501 (-4.6A)
ACT  A 504 (-4.2A)
 1.15A 6gbnC-4narA:
2.6		 6gbnC-4narA:
22.98
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.16A 6gbnC-4ubqA:
undetectable		 6gbnC-4ubqA:
20.24
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		4 THR A  47
THR A 333
HIS A 280
GLY A  43
 None
None
None
FAD  A 503 (-3.2A)
 0.96A 6gbnC-4x4jA:
3.0		 6gbnC-4x4jA:
22.37
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		4 THR A 346
THR A 661
HIS A 411
GLY A 360
 None
 1.08A 6gbnC-4xjxA:
2.7		 6gbnC-4xjxA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 THR A 633
THR A 670
HIS A 119
GLY A 561
 None
 1.11A 6gbnC-4zgvA:
undetectable		 6gbnC-4zgvA:
18.50
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.
4zud CHIMERA PROTEIN OF
SOLUBLE CYTOCHROME
B562 AND TYPE-1
ANGIOTENSIN II
RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		4 THR A  88
THR A 287
HIS A 256
GLY A  22
 OLM  A1201 ( 4.6A)
None
None
None
 1.21A 6gbnC-4zudA:
undetectable		 6gbnC-4zudA:
22.38
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.
5ams RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A 144
THR A  93
HIS A  95
GLY A 141
 None
 1.09A 6gbnC-5amsA:
undetectable		 6gbnC-5amsA:
22.14
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 230
THR A 227
THR A 158
HIS A  95
 None
None
None
ZN  A2001 ( 3.4A)
 1.17A 6gbnC-5b3rA:
2.7		 6gbnC-5b3rA:
20.37
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.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		4 GLN A  88
THR A  56
THR A  17
GLY A  90
 None
 1.03A 6gbnC-5d6oA:
4.8		 6gbnC-5d6oA:
22.60
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Symbiobacterium
thermophilum) 		PF00282
(Pyridoxal_deC) 		4 GLN A 333
THR A 349
THR A 309
GLY A 162
 None
 1.21A 6gbnC-5eueA:
2.5		 6gbnC-5eueA:
22.55
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		4 GLN A   6
THR A   5
HIS A  75
GLY A  84
 None
 1.18A 6gbnC-5ffnA:
3.3		 6gbnC-5ffnA:
24.43
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.
5h0k UNCHARACTERIZED
PROTEIN

(Pedobacter
heparinus) 		PF16265
(DUF4918) 		4 GLN A  37
THR A  72
THR A  84
GLY A  92
 None
 1.18A 6gbnC-5h0kA:
undetectable		 6gbnC-5h0kA:
18.72
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 THR A 270
THR A 565
HIS A 309
GLY A 427
 None
 1.07A 6gbnC-5i68A:
undetectable		 6gbnC-5i68A:
20.91
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.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		4 THR A 144
THR A 176
HIS A 175
GLY A  69
 None
None
ZN  A 302 (-3.3A)
None
 1.06A 6gbnC-5k0wA:
undetectable		 6gbnC-5k0wA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5z PARA

(Sulfolobus sp.
NOB8H2) 		PF13614
(AAA_31) 		4 THR A 206
THR A 142
HIS A   9
GLY A 202
 None
 1.20A 6gbnC-5k5zA:
3.7		 6gbnC-5k5zA:
22.94
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.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5

(Homo sapiens) 		no annotation 4 GLN A  65
THR A  60
HIS A 107
GLY A 127
 None
 1.23A 6gbnC-5o8fA:
undetectable		 6gbnC-5o8fA:
21.77
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 THR B 372
THR B 114
HIS B 290
GLY D  81
 None
MGD  B 503 ( 3.9A)
MGD  B 504 (-3.5A)
None
 1.09A 6gbnC-5t5iB:
undetectable		 6gbnC-5t5iB:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u5i HTPA REDUCTASE

(Selaginella
moellendorffii) 		no annotation 4 GLN A 172
THR A 181
HIS A 244
GLY A 223
 None
 1.22A 6gbnC-5u5iA:
8.2		 6gbnC-5u5iA:
11.76
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		4 GLN A 179
THR A 139
HIS A 145
GLY A 219
 None
 1.11A 6gbnC-5uc7A:
undetectable		 6gbnC-5uc7A:
20.89
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 THR A 253
THR A 307
HIS A 147
GLY A 220
 None
 1.16A 6gbnC-5xh9A:
undetectable		 6gbnC-5xh9A:
20.87
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 4 GLN A 586
THR A 492
THR A 541
GLY A 563
 None
 1.06A 6gbnC-5xiiA:
2.7		 6gbnC-5xiiA:
11.86
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 4 GLN A 506
THR A 412
THR A 461
GLY A 483
 None
 1.21A 6gbnC-5xipA:
undetectable		 6gbnC-5xipA:
10.78
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Homo sapiens) 		PF01370
(Epimerase) 		4 GLN J 341
THR J 343
HIS J  72
GLY J 339
 None
 1.15A 6gbnC-5xtdJ:
undetectable		 6gbnC-5xtdJ:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 162
HIS A 306
GLY A 357
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.6A)
 0.11A 6gbnC-6aphA:
66.5		 6gbnC-6aphA:
77.08
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A  35
THR A  32
THR A 348
GLY A  96
 None
 1.19A 6gbnC-6c6lA:
undetectable		 6gbnC-6c6lA:
9.58
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.
6con COA-TRANSFERASE
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		no annotation 4 GLN B 222
THR B 223
HIS B 141
GLY B 200
 None
 1.19A 6gbnC-6conB:
2.8		 6gbnC-6conB:
11.44
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.
6dw1 -

(-) 		no annotation 4 GLN E  65
THR E  60
HIS E 107
GLY E 127
 None
 1.15A 6gbnC-6dw1E:
undetectable		 6gbnC-6dw1E:
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.
6eub ANGIOPOIETIN-RELATED
PROTEIN 4

(Homo sapiens) 		no annotation 4 THR A 393
THR A 382
HIS A 356
GLY A 377
 None
None
1PE  A 501 ( 4.3A)
None
 1.21A 6gbnC-6eubA:
undetectable		 6gbnC-6eubA:
10.86
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.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
THR B 165
HIS B 323
GLY B 381
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 ( 3.7A)
 0.16A 6gbnC-6f3mB:
57.6		 6gbnC-6f3mB:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 GLN A 318
THR A 315
HIS A 592
GLY A  90
 None
 1.05A 6gbnC-6f8zA:
undetectable		 6gbnC-6f8zA:
10.92