SIMILAR PATTERNS OF AMINO ACIDS FOR 4COX_D_IMND701

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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A  95
LEU A 370
VAL A 345
GLY A 343
ALA A 342
 None
 1.07A 4coxD-1b3bA:
0.1		 4coxD-1b3bA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A  95
LEU A 372
VAL A 347
GLY A 345
ALA A 344
 None
 1.03A 4coxD-1bvuA:
undetectable		 4coxD-1bvuA:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		8 ARG A 120
VAL A 349
SER A 353
TYR A 355
LEU A 384
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 (-3.9A)
SCL  A 700 ( 4.6A)
None
SCL  A 700 (-4.3A)
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.70A 4coxD-1ebvA:
30.8		 4coxD-1ebvA:
64.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 ARG A 120
VAL A 349
SER A 353
TYR A 355
TYR A 385
TRP A 387
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 (-3.9A)
SCL  A 700 ( 4.6A)
None
SCL  A 700 (-4.3A)
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.43A 4coxD-1ebvA:
30.8		 4coxD-1ebvA:
64.08
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.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A  95
LEU A 373
VAL A 348
GLY A 346
ALA A 345
 None
 1.11A 4coxD-1gtmA:
0.1		 4coxD-1gtmA:
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.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 267
GLY A 189
ALA A 188
SER A 187
LEU A 127
 None
 1.04A 4coxD-1h4lA:
undetectable		 4coxD-1h4lA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 SER A 369
VAL A 427
GLY A 429
ALA A 430
LEU A 116
 None
 1.09A 4coxD-1hrdA:
0.0		 4coxD-1hrdA:
21.82
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A 121
LEU A 457
VAL A 382
GLY A 380
ALA A 379
 None
 1.16A 4coxD-1l1fA:
0.0		 4coxD-1l1fA:
20.42
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 VAL A 495
TYR A 335
LEU A 447
GLY A 378
ALA A 377
 MAY  A 600 (-4.8A)
None
None
None
MAY  A 600 (-3.7A)
 1.02A 4coxD-1mt5A:
0.0		 4coxD-1mt5A:
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 VAL A 332
VAL A 173
GLY A 175
ALA A 174
LEU A 369
 None
None
OMN  A 601 (-3.6A)
None
OMN  A 601 (-3.7A)
 1.07A 4coxD-1sezA:
undetectable		 4coxD-1sezA:
21.51
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 LEU A 341
VAL A 133
GLY A 136
ALA A 137
LEU A  38
 None
 1.04A 4coxD-1umfA:
undetectable		 4coxD-1umfA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  74
GLY A   8
ALA A   9
SER A  34
LEU A  55
 None
 1.08A 4coxD-1vknA:
undetectable		 4coxD-1vknA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 225
VAL A 289
GLY A 320
ALA A 321
LEU A 231
 None
 1.07A 4coxD-1w5eA:
undetectable		 4coxD-1w5eA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 LEU A 236
VAL A 153
GLY A 149
ALA A 148
LEU A 142
 None
 1.15A 4coxD-1wz8A:
undetectable		 4coxD-1wz8A:
19.08
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 VAL A 179
TYR A 294
GLY A 163
ALA A 164
LEU A 168
 None
 1.04A 4coxD-2a0uA:
undetectable		 4coxD-2a0uA:
20.70
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ARG A 125
LEU A 137
VAL A 118
GLY A 120
ALA A 121
 None
 1.05A 4coxD-2cukA:
undetectable		 4coxD-2cukA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej5 ENOYL-COA HYDRATASE
SUBUNIT II

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 VAL A  99
VAL A  50
GLY A  45
ALA A  44
LEU A  41
 None
 1.08A 4coxD-2ej5A:
undetectable		 4coxD-2ej5A:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		5 SER A  75
LEU A 121
VAL A 113
GLY A 111
LEU A 106
 None
 1.09A 4coxD-2ejbA:
undetectable		 4coxD-2ejbA:
16.04
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 TYR A 238
LEU A  74
GLY A 290
ALA A 289
LEU A 285
 None
 1.06A 4coxD-2elcA:
undetectable		 4coxD-2elcA:
19.72
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.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 ARG A 360
SER A 345
LEU A 354
GLY A 355
ALA A 356
 None
None
HEM  A 412 ( 4.2A)
HEM  A 412 (-3.5A)
None
 1.13A 4coxD-2jjpA:
undetectable		 4coxD-2jjpA:
21.58
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.
2pe4 HYALURONIDASE-1

(Homo sapiens) 		PF01630
(Glyco_hydro_56) 		5 SER A 310
LEU A 382
VAL A 351
GLY A 354
ALA A 355
 None
NAG  A 550 (-4.4A)
None
None
None
 1.13A 4coxD-2pe4A:
undetectable		 4coxD-2pe4A:
20.55
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A1538
SER A1640
GLY A1595
ALA A1596
LEU A1600
 None
 1.02A 4coxD-2pffA:
undetectable		 4coxD-2pffA:
14.44
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.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 LEU A 209
VAL A 176
GLY A 178
ALA A 180
SER A 182
 None
None
CA  A 478 ( 4.9A)
None
None
 0.90A 4coxD-2pplA:
undetectable		 4coxD-2pplA:
21.73
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.
2ru4 ARMADILLO REPEAT
PROTEIN, C-TERMINAL
FRAGMENT, MAII
ARMADILLO REPEAT
PROTEIN, N-TERMINAL
FRAGMENT, YIIM2

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 SER A 110
VAL B 123
GLY B 127
ALA B 128
LEU B 132
 None
 0.88A 4coxD-2ru4A:
undetectable		 4coxD-2ru4A:
11.87
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 103
VAL A 475
GLY A 478
ALA A 479
LEU A 483
 None
 0.99A 4coxD-2vosA:
undetectable		 4coxD-2vosA:
22.50
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.
2w9z G1/S-SPECIFIC
CYCLIN-D1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 SER A 111
LEU A  85
GLY A 103
ALA A 104
LEU A 137
 None
 1.16A 4coxD-2w9zA:
1.7		 4coxD-2w9zA:
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 SER A 421
TRP A 579
GLY A 412
ALA A 413
LEU A 409
 None
 0.95A 4coxD-2wskA:
0.0		 4coxD-2wskA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 VAL A 107
VAL A 117
GLY A 120
ALA A 121
LEU A 136
 None
 1.09A 4coxD-3aamA:
undetectable		 4coxD-3aamA:
17.12
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.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 LEU A 244
GLY A 192
ALA A 191
SER A 190
LEU A 130
 None
 1.07A 4coxD-3dfaA:
undetectable		 4coxD-3dfaA:
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 VAL A 219
LEU A 117
GLY A 224
ALA A 226
LEU A 229
 None
 1.07A 4coxD-3dqqA:
undetectable		 4coxD-3dqqA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ele AMINO TRANSFERASE

([Eubacterium]
rectale) 		PF00155
(Aminotran_1_2) 		5 TYR A 219
GLY A 106
ALA A 107
SER A 110
LEU A 111
 PLP  A 500 (-4.4A)
PLP  A 500 (-3.6A)
PLP  A 500 (-3.2A)
None
None
 1.09A 4coxD-3eleA:
undetectable		 4coxD-3eleA:
18.68
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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 LEU A 263
GLY A 211
ALA A 210
SER A 209
LEU A 149
 None
 1.04A 4coxD-3f3zA:
undetectable		 4coxD-3f3zA:
19.15
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 272
LEU A 191
GLY A 226
ALA A 228
LEU A 231
 None
 1.11A 4coxD-3g1uA:
undetectable		 4coxD-3g1uA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 235
VAL A 267
GLY A 270
SER A 274
LEU A 275
 None
NAD  A 601 (-3.7A)
None
None
None
 1.02A 4coxD-3glqA:
undetectable		 4coxD-3glqA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 316
LEU A 235
GLY A 270
ALA A 272
LEU A 275
 None
 1.10A 4coxD-3glqA:
undetectable		 4coxD-3glqA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 272
LEU A 191
GLY A 226
ALA A 228
LEU A 231
 None
 1.11A 4coxD-3h9uA:
undetectable		 4coxD-3h9uA:
20.77
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 VAL A 301
TYR A 348
ALA A 385
SER A 388
LEU A 389
 None
 1.15A 4coxD-3hz6A:
undetectable		 4coxD-3hz6A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 313
GLY A 261
ALA A 260
SER A 259
LEU A 199
 None
 1.10A 4coxD-3igoA:
undetectable		 4coxD-3igoA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 SER A  19
LEU A 175
VAL A  10
GLY A 177
ALA A 178
 None
 1.16A 4coxD-3ihgA:
undetectable		 4coxD-3ihgA:
22.36
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.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.02A 4coxD-3ikfA:
undetectable		 4coxD-3ikfA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 LEU A 374
GLY A 323
ALA A 322
SER A 321
LEU A 261
 None
 1.00A 4coxD-3is5A:
undetectable		 4coxD-3is5A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A  49
SER A  51
GLY A  65
ALA A  66
LEU A  70
 None
 0.82A 4coxD-3khnA:
undetectable		 4coxD-3khnA:
15.21
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		5 LEU A 141
TYR A 144
ALA A  93
SER A  95
LEU A  96
 None
 1.13A 4coxD-3mq3A:
undetectable		 4coxD-3mq3A:
22.68
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 322
LEU A 241
GLY A 276
ALA A 278
LEU A 281
 None
 1.08A 4coxD-3oneA:
undetectable		 4coxD-3oneA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 LEU A 300
GLY A 220
ALA A 219
SER A 218
LEU A 159
 None
 1.11A 4coxD-3pg1A:
undetectable		 4coxD-3pg1A:
21.64
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.
3t34 DYNAMIN-RELATED
PROTEIN 1A, LINKER,
DYNAMIN-RELATED
PROTEIN 1A

(Arabidopsis
thaliana) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 VAL A  50
SER A 280
VAL A 238
GLY A 208
LEU A 178
 None
 1.16A 4coxD-3t34A:
undetectable		 4coxD-3t34A:
19.06
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.
3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 VAL A  11
TYR A  36
TYR A  50
GLY A  57
ALA A  58
 None
 0.95A 4coxD-3tfyA:
undetectable		 4coxD-3tfyA:
15.03
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.
3uko ALCOHOL
DEHYDROGENASE
CLASS-3

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 268
LEU A 183
VAL A 210
GLY A 213
ALA A 214
 None
 1.10A 4coxD-3ukoA:
undetectable		 4coxD-3ukoA:
19.60
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A 338
TRP A 337
VAL A  82
ALA A  86
LEU A  91
 None
 1.05A 4coxD-3uw2A:
undetectable		 4coxD-3uw2A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 LEU A  93
TYR A  96
GLY A 164
ALA A 165
LEU A 171
 None
FMN  A 500 (-3.4A)
None
None
None
 0.99A 4coxD-3x0yA:
undetectable		 4coxD-3x0yA:
19.44
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 SER A 217
LEU A  93
GLY A 164
ALA A 165
LEU A 171
 None
 1.16A 4coxD-3x0yA:
undetectable		 4coxD-3x0yA:
19.44
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.
3zhy 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		6 VAL A 138
SER A 136
LEU A 221
ALA A 133
SER A 130
LEU A 110
 None
 1.15A 4coxD-3zhyA:
undetectable		 4coxD-3zhyA:
20.55
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		6 ARG A 635
LEU A 843
GLY A 633
ALA A 632
SER A 630
LEU A 631
 None
 1.38A 4coxD-4ammA:
undetectable		 4coxD-4ammA:
19.02
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 LEU A 591
VAL A 570
ALA A 574
SER A 577
LEU A 578
 None
 1.11A 4coxD-4bb9A:
undetectable		 4coxD-4bb9A:
21.47
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.
4bxi ACCESSORY GENE
REGULATOR PROTEIN C

(Staphylococcus
aureus) 		PF14501
(HATPase_c_5) 		5 VAL A 425
LEU A 296
GLY A 334
SER A 332
LEU A 400
 None
 1.14A 4coxD-4bxiA:
undetectable		 4coxD-4bxiA:
13.94
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.96A 4coxD-4c13A:
undetectable		 4coxD-4c13A:
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 VAL A 278
SER A 280
LEU A 270
VAL A 244
LEU A 335
 None
 1.15A 4coxD-4c4aA:
undetectable		 4coxD-4c4aA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c8g 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.07A 4coxD-4c8gA:
undetectable		 4coxD-4c8gA:
16.51
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.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 VAL A  28
VAL A 112
GLY A 110
ALA A 109
LEU A  90
 None
 1.09A 4coxD-4czpA:
undetectable		 4coxD-4czpA:
22.63
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		5 LEU A 346
VAL A 284
GLY A 287
ALA A 288
LEU A 292
 None
 1.10A 4coxD-4doeA:
undetectable		 4coxD-4doeA:
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A  31
LEU A 134
VAL A 137
GLY A 139
ALA A 140
 None
 1.00A 4coxD-4ej6A:
undetectable		 4coxD-4ej6A:
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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 VAL A2229
TYR A2203
GLY A2133
ALA A2132
LEU A2056
 None
 1.06A 4coxD-4f6cA:
undetectable		 4coxD-4f6cA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 TYR A 543
VAL A 493
ALA A 497
SER A 500
LEU A 458
 None
 1.15A 4coxD-4fgvA:
undetectable		 4coxD-4fgvA:
20.70
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		6 LEU A 109
VAL A  79
GLY A  81
ALA A  83
SER A  85
LEU A  86
 None
 1.43A 4coxD-4j9uA:
3.3		 4coxD-4j9uA:
21.79
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.
4k2p T-LYMPHOMA INVASION
AND
METASTASIS-INDUCING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH) 		5 SER A 456
LEU A 521
GLY A 522
ALA A 664
LEU A 665
 None
 1.12A 4coxD-4k2pA:
undetectable		 4coxD-4k2pA:
17.77
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.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 TYR A  68
VAL A  31
GLY A   8
ALA A   9
SER A  10
 None
None
NDP  A 500 (-2.9A)
NDP  A 500 (-3.6A)
NDP  A 500 (-3.9A)
 1.11A 4coxD-4koaA:
undetectable		 4coxD-4koaA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 233
VAL A 265
GLY A 268
SER A 272
LEU A 273
 None
NAD  A 503 (-3.6A)
None
None
None
 0.92A 4coxD-4lvcA:
undetectable		 4coxD-4lvcA:
20.36
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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  21
VAL A  98
GLY A 100
ALA A 101
LEU A  28
 None
 1.09A 4coxD-4nefA:
undetectable		 4coxD-4nefA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 LEU A 181
VAL A 175
GLY A 177
ALA A 176
LEU A 252
 None
 1.07A 4coxD-4p6vA:
undetectable		 4coxD-4p6vA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.70A 4coxD-4ph9A:
62.8		 4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.59A 4coxD-4ph9A:
62.8		 4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 VAL A 350
SER A 354
TYR A 356
LEU A 526
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 1.27A 4coxD-4ph9A:
62.8		 4coxD-4ph9A:
99.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pht TYPE II SECRETION
SYSTEM PROTEIN L

(Vibrio
vulnificus) 		PF05134
(T2SSL) 		5 LEU X  96
VAL X  62
GLY X 112
SER X  99
LEU X 101
 None
 0.97A 4coxD-4phtX:
undetectable		 4coxD-4phtX:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
 None
 1.08A 4coxD-4q0cA:
undetectable		 4coxD-4q0cA:
23.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8u GLOBIN A CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		5 VAL A 124
LEU A  68
VAL A  36
GLY A  34
ALA A  35
 None
 1.16A 4coxD-4u8uA:
undetectable		 4coxD-4u8uA:
12.95
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.
4u9o NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 LEU A 181
VAL A 175
GLY A 177
ALA A 176
LEU A 252
 None
 1.09A 4coxD-4u9oA:
undetectable		 4coxD-4u9oA:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.99A 4coxD-4ubtA:
undetectable		 4coxD-4ubtA:
19.33
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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 VAL A 344
LEU A 375
VAL A 426
GLY A 429
ALA A 430
 None
None
HEM  A 501 ( 4.5A)
None
None
 1.08A 4coxD-4xydA:
undetectable		 4coxD-4xydA:
21.11
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.
4zqb NADP-DEPENDENT
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF02826
(2-Hacid_dh_C) 		5 VAL A 176
LEU A 198
GLY A 149
ALA A 150
LEU A 154
 None
 1.06A 4coxD-4zqbA:
undetectable		 4coxD-4zqbA:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 SER A1428
LEU A1405
GLY A1467
SER A1471
LEU A1472
 None
 1.15A 4coxD-5a31A:
undetectable		 4coxD-5a31A:
17.32
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.
5ay6 FLAGELLAR HOOK
PROTEIN FLGE

(Caulobacter
vibrioides) 		PF07559
(FlaE) 		5 LEU A 308
TRP A 314
VAL A 304
GLY A 306
ALA A 305
 None
 1.15A 4coxD-5ay6A:
undetectable		 4coxD-5ay6A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		5 LEU A 447
VAL A 434
GLY A 437
ALA A 438
SER A 441
 None
 0.91A 4coxD-5b1qA:
undetectable		 4coxD-5b1qA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 240
LEU A 234
GLY A 253
ALA A 252
SER A 255
 None
 1.04A 4coxD-5bz4A:
undetectable		 4coxD-5bz4A:
22.46
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.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 LEU A  77
VAL A 103
GLY A 101
ALA A 102
SER A  98
 None
 1.15A 4coxD-5cbkA:
undetectable		 4coxD-5cbkA:
18.91
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.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 TYR A 324
TYR A  83
GLY A  78
ALA A  79
LEU A 100
 HEM  A 501 (-4.6A)
None
None
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
 1.14A 4coxD-5dqnA:
undetectable		 4coxD-5dqnA:
22.50
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		5 SER A 149
VAL A 199
ALA A 203
SER A 206
LEU A 186
 None
 1.05A 4coxD-5ejyA:
undetectable		 4coxD-5ejyA:
22.71
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		5 VAL A 293
LEU A 695
TYR A 692
VAL A 699
LEU A 622
 None
 1.15A 4coxD-5gl7A:
undetectable		 4coxD-5gl7A:
22.35
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 VAL C 100
TYR C  27
LEU C  69
GLY C  55
LEU C 141
 None
None
URA  C 301 (-3.9A)
URA  C 301 ( 3.9A)
None
 1.14A 4coxD-5gnwC:
0.4		 4coxD-5gnwC:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 ARG A 120
VAL A 349
SER A 353
TYR A 355
LEU A 384
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
 ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 4.8A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.64A 4coxD-5ikrA:
33.8		 4coxD-5ikrA:
87.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 ARG A 120
VAL A 349
SER A 353
TYR A 355
TYR A 385
TRP A 387
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
 ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.50A 4coxD-5ikrA:
33.8		 4coxD-5ikrA:
87.70
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 LEU A 512
VAL A 371
ALA A 336
SER A 334
LEU A 327
 None
 1.14A 4coxD-5infA:
undetectable		 4coxD-5infA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 SER A 408
LEU A 384
VAL A 406
GLY A 424
ALA A 423
 None
 1.06A 4coxD-5ivaA:
undetectable		 4coxD-5ivaA:
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 VAL A 205
LEU A 244
VAL A 120
GLY A 122
LEU A 128
 None
 1.04A 4coxD-5jfmA:
undetectable		 4coxD-5jfmA:
19.94
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		5 VAL A 156
VAL A 141
GLY A 137
ALA A 138
SER A 135
 None
 1.15A 4coxD-5mlzA:
undetectable		 4coxD-5mlzA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 SER A 216
GLY A 224
ALA A 225
SER A 223
LEU A 195
 None
 1.09A 4coxD-5oe5A:
undetectable		 4coxD-5oe5A:
21.50
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.
5ol2 ACYL-COA
DEHYDROGENASE

(Clostridioides
difficile) 		no annotation 5 TYR C  68
VAL C  84
ALA C  88
SER C  91
LEU C  92
 None
 1.08A 4coxD-5ol2C:
undetectable		 4coxD-5ol2C:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 VAL A  92
VAL A 225
GLY A 227
ALA A 226
LEU A  29
 None
 1.16A 4coxD-5tiiA:
undetectable		 4coxD-5tiiA:
18.28
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 ARG A 580
LEU A 564
GLY A 575
ALA A 576
LEU A 701
 None
 1.16A 4coxD-5vvoA:
undetectable		 4coxD-5vvoA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 VAL A 273
LEU A 192
GLY A 227
ALA A 229
LEU A 232
 None
 1.04A 4coxD-5w4bA:
undetectable		 4coxD-5w4bA:
19.33
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 SER A  40
LEU A 251
GLY A  66
ALA A  72
SER A  75
 None
None
None
None
ACP  A 500 (-3.0A)
 1.11A 4coxD-6ci7A:
0.0		 4coxD-6ci7A:
9.77