SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKX_A_STRA601_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Bacillus
amyloliquefaciens) 		PF01470
(Peptidase_C15) 		5 LEU A 151
ALA A  84
ILE A  66
ILE A  67
GLY A 116
 None
 0.91A 4nkxA-1augA:
undetectable		 4nkxA-1augA:
17.89
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.
1bs9 ACETYL XYLAN
ESTERASE

(Talaromyces
purpureogenus) 		PF01083
(Cutinase) 		5 ALA A 198
ILE A   5
ILE A 129
VAL A  85
VAL A   7
 None
 0.98A 4nkxA-1bs9A:
undetectable		 4nkxA-1bs9A:
17.86
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.
1fhe GLUTATHIONE
TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 LEU A 136
PHE A 178
ILE A  94
GLY A 144
ILE A 182
VAL A 150
 None
 1.31A 4nkxA-1fheA:
undetectable		 4nkxA-1fheA:
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.
1h7g 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF02348
(CTP_transf_3) 		5 ILE A  91
ILE A  93
GLY A  42
ALA A  41
VAL A 107
 None
 1.02A 4nkxA-1h7gA:
undetectable		 4nkxA-1h7gA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 LEU A 118
ILE A  77
ILE A  76
GLY A  45
ALA A  11
 None
 1.01A 4nkxA-1nnwA:
undetectable		 4nkxA-1nnwA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 LEU A 103
ALA A 113
PHE A 114
GLY A 293
ALA A 294
THR A 298
 DIF  A 501 (-3.9A)
DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
DIF  A 501 (-3.8A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
 1.13A 4nkxA-1nr6A:
44.1		 4nkxA-1nr6A:
32.81
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  81
ILE A 240
GLY A  88
ALA A  89
ILE A 229
 None
 0.82A 4nkxA-1pffA:
undetectable		 4nkxA-1pffA:
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 243
ILE A 202
ALA A  91
VAL A 222
VAL A 204
 None
 0.94A 4nkxA-1pffA:
undetectable		 4nkxA-1pffA:
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.
1qoz ACETYL XYLAN
ESTERASE

(Trichoderma
reesei) 		PF01083
(Cutinase) 		5 ALA A 198
ILE A   5
ILE A 129
VAL A  85
VAL A   7
 None
 0.98A 4nkxA-1qozA:
undetectable		 4nkxA-1qozA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qys TOP7

(-) 		no annotation 5 ILE A  79
ALA A  65
ILE A  52
VAL A  90
VAL A  81
 None
 0.85A 4nkxA-1qysA:
undetectable		 4nkxA-1qysA:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ALA A 970
ILE A1147
GLY A1100
ILE A 959
VAL A1127
 None
 0.85A 4nkxA-1rpmA:
undetectable		 4nkxA-1rpmA:
19.71
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.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ILE A  18
ILE A 146
ALA A 240
VAL A  91
VAL A 144
 None
 0.90A 4nkxA-1spxA:
undetectable		 4nkxA-1spxA:
20.44
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.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 314
PHE A   7
GLY A 350
ALA A 351
VAL A 293
 None
 1.03A 4nkxA-1vrdA:
undetectable		 4nkxA-1vrdA:
23.60
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 394
ILE A 342
ILE A 316
VAL A 331
VAL A 318
 None
 0.88A 4nkxA-1x0uA:
undetectable		 4nkxA-1x0uA:
21.12
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		6 LEU A 394
ILE A 398
ILE A 401
ALA A 305
THR A 308
VAL A 365
 None
 1.25A 4nkxA-1yfmA:
undetectable		 4nkxA-1yfmA:
22.06
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 ASN A 239
ILE A 235
ILE A 238
GLY A 304
VAL A 186
 None
 1.00A 4nkxA-2aniA:
undetectable		 4nkxA-2aniA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c7s RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE KAPPA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ALA A 958
ILE A1135
GLY A1088
ILE A 947
VAL A1115
 None
None
ACT  A2156 (-3.6A)
None
None
 0.85A 4nkxA-2c7sA:
undetectable		 4nkxA-2c7sA:
20.12
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 ASN A 222
GLY A 301
ALA A 300
THR A 305
ILE A 371
 None
 1.04A 4nkxA-2gfiA:
undetectable		 4nkxA-2gfiA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.42A 4nkxA-2hi4A:
41.4		 4nkxA-2hi4A:
32.31
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.
2hq1 GLUCOSE/RIBITOL
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 ALA A  30
GLY A 224
ALA A 227
VAL A  10
VAL A  88
 None
 0.98A 4nkxA-2hq1A:
undetectable		 4nkxA-2hq1A:
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 LEU A 218
PHE A 178
ALA A 234
ILE A 297
VAL A 226
 None
 0.99A 4nkxA-2hruA:
undetectable		 4nkxA-2hruA:
21.49
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.
2kzr UBIQUITIN
THIOESTERASE OTU1

(Mus musculus) 		no annotation 5 LEU A  14
ILE A  33
GLY A  28
ILE A  43
VAL A  74
 None
 0.97A 4nkxA-2kzrA:
undetectable		 4nkxA-2kzrA:
12.41
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 ALA A 329
ILE A 235
GLY A 297
ALA A 298
ILE A 346
 None
YE1  A 997 (-3.3A)
None
None
None
 0.86A 4nkxA-2pg8A:
undetectable		 4nkxA-2pg8A:
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.
2pwj MITOCHONDRIAL
PEROXIREDOXIN

(Pisum sativum) 		PF08534
(Redoxin) 		5 ASN A 151
GLY A 163
ALA A 164
ILE A 106
VAL A  47
 None
 1.05A 4nkxA-2pwjA:
undetectable		 4nkxA-2pwjA:
18.10
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.
2pzd SERINE PROTEASE
HTRA2

(Homo sapiens) 		PF13180
(PDZ_2) 		5 ILE A 413
ILE A 393
ALA A 405
VAL A 364
VAL A 396
 None
 0.87A 4nkxA-2pzdA:
undetectable		 4nkxA-2pzdA:
12.16
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.
2q7n LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Mus musculus) 		PF00041
(fn3) 		5 ALA A  98
ILE A 126
ILE A 196
VAL A 170
VAL A 128
 None
 0.84A 4nkxA-2q7nA:
undetectable		 4nkxA-2q7nA:
21.66
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.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		5 LEU A 116
ILE A 186
GLY A 260
VAL A 267
VAL A 266
 None
 1.04A 4nkxA-2r7aA:
undetectable		 4nkxA-2r7aA:
20.12
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.
2ucz UBIQUITIN
CONJUGATING ENZYME

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		5 PHE A  73
ILE A  24
GLY A  43
ILE A  82
VAL A 123
 None
 1.06A 4nkxA-2uczA:
undetectable		 4nkxA-2uczA:
15.67
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.
2z3b ATP-DEPENDENT
PROTEASE HSLV

(Bacillus
subtilis) 		PF00227
(Proteasome) 		6 LEU A 160
ILE A 174
ILE A 175
ALA A  18
ILE A 102
VAL A  40
 None
 1.28A 4nkxA-2z3bA:
undetectable		 4nkxA-2z3bA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 ILE A 234
ILE A 215
GLY A 256
ALA A 255
VAL A 396
 None
None
SO4  A 460 (-3.4A)
SO4  A 460 (-4.6A)
None
 0.96A 4nkxA-3bq9A:
undetectable		 4nkxA-3bq9A:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		5 LEU A 143
ILE A  94
ILE A  93
ALA A 100
VAL A  78
 None
 1.04A 4nkxA-3c1oA:
undetectable		 4nkxA-3c1oA:
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.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 LEU C 162
ALA C 167
ALA C 150
ILE C 179
VAL C 128
 None
 1.02A 4nkxA-3dhwC:
undetectable		 4nkxA-3dhwC:
21.00
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.
3e0g LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Homo sapiens) 		PF00041
(fn3) 		5 ALA A  95
ILE A 123
ILE A 193
VAL A 167
VAL A 125
 None
 0.94A 4nkxA-3e0gA:
undetectable		 4nkxA-3e0gA:
22.74
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 753
ILE A 757
ALA A1038
THR A1041
VAL A1017
 None
 1.06A 4nkxA-3f2bA:
undetectable		 4nkxA-3f2bA:
19.31
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A 285
ASN A 362
ILE A 361
GLY A 263
ALA A 262
 None
 1.06A 4nkxA-3frkA:
undetectable		 4nkxA-3frkA:
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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		5 ILE A   3
ALA A  15
ILE A 103
VAL A  67
VAL A   5
 None
None
NDP  A 301 (-3.7A)
None
None
 0.85A 4nkxA-3h2sA:
undetectable		 4nkxA-3h2sA:
20.32
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.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		5 LEU A 359
ALA A 316
PHE A 330
ILE A 294
THR A  88
 None
 1.01A 4nkxA-3hxwA:
undetectable		 4nkxA-3hxwA:
22.73
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.
3i2d E3 SUMO-PROTEIN
LIGASE SIZ1

(Saccharomyces
cerevisiae) 		PF02891
(zf-MIZ)
PF14324
(PINIT) 		5 LEU A 228
ALA A 278
ILE A 189
ILE A 261
VAL A 293
 None
 1.04A 4nkxA-3i2dA:
undetectable		 4nkxA-3i2dA:
23.89
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.
3i5t AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00202
(Aminotran_3) 		5 PHE A 271
ASN A 339
ILE A 340
GLY A 289
ILE A 284
 None
 1.03A 4nkxA-3i5tA:
undetectable		 4nkxA-3i5tA:
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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 LEU A 202
ALA A 189
GLY A 183
ALA A 182
ILE A 152
 None
 0.91A 4nkxA-3iv6A:
undetectable		 4nkxA-3iv6A:
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 PHE A 512
ILE A 474
ALA A 531
VAL A 488
VAL A 491
 None
 1.04A 4nkxA-3k1jA:
undetectable		 4nkxA-3k1jA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		5 LEU A 128
ILE A 192
ILE A 214
ALA A 153
ILE A 143
 None
 1.05A 4nkxA-3k6rA:
undetectable		 4nkxA-3k6rA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 LEU A 119
PHE A 120
ILE A 174
ALA A 134
ILE A 225
 None
 0.98A 4nkxA-3ma6A:
undetectable		 4nkxA-3ma6A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3or5 THIOL:DISULFIDE
INTERCHANGE PROTEIN,
THIOREDOXIN FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF08534
(Redoxin) 		5 ALA A  35
ILE A  94
ILE A 144
VAL A  60
VAL A  92
 None
 0.92A 4nkxA-3or5A:
undetectable		 4nkxA-3or5A:
16.36
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		6 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
ILE A 399
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.0A)
 0.45A 4nkxA-3pm0A:
41.0		 4nkxA-3pm0A:
29.69
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.
3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase) 		5 ALA A 156
ASN A  91
GLY A 239
ILE A 151
VAL A 247
 None
 1.02A 4nkxA-3r6oA:
undetectable		 4nkxA-3r6oA:
20.61
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.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 267
ASN B 326
ILE B 327
GLY B 309
ALA B 308
 None
 0.89A 4nkxA-3sqgB:
undetectable		 4nkxA-3sqgB:
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		5 ASN A  43
ILE A  41
GLY A 144
ILE A 183
VAL A 191
 None
 0.88A 4nkxA-3t7sA:
undetectable		 4nkxA-3t7sA:
22.45
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 ILE A 231
GLY A 253
ALA A 252
THR A 213
VAL A 210
 None
 0.81A 4nkxA-3tbhA:
undetectable		 4nkxA-3tbhA:
23.63
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.
3v9p THYMIDYLATE KINASE

(Burkholderia
thailandensis) 		PF02223
(Thymidylate_kin) 		5 PHE A  24
GLY A 201
ILE A   7
VAL A 135
VAL A 184
 None
None
None
None
GOL  A 252 ( 3.8A)
 0.98A 4nkxA-3v9pA:
undetectable		 4nkxA-3v9pA:
18.22
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 376
PHE A 380
ILE A 402
GLY A 397
VAL A 340
 None
 1.04A 4nkxA-3w9hA:
2.2		 4nkxA-3w9hA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 ALA A 242
PHE A 529
ILE A 196
ILE A 199
GLY A 382
 None
 1.04A 4nkxA-4ainA:
undetectable		 4nkxA-4ainA:
22.78
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 LEU A 182
ILE A 192
ILE A 162
GLY A 165
ILE A 394
 None
 0.87A 4nkxA-4fixA:
undetectable		 4nkxA-4fixA:
21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 123
ASN A 222
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 ( 3.8A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 1.00A 4nkxA-4i8vA:
42.2		 4nkxA-4i8vA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 123
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 0.43A 4nkxA-4i8vA:
42.2		 4nkxA-4i8vA:
33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		5 ALA A 148
GLY A 189
ALA A 190
THR A 434
ILE A 164
 None
 1.04A 4nkxA-4impA:
undetectable		 4nkxA-4impA:
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 LEU D 232
ALA D 208
PHE D 230
ILE D 109
GLY D 202
 None
 0.96A 4nkxA-4jrmD:
undetectable		 4nkxA-4jrmD:
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.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 LEU A 141
ILE A  74
ILE A 144
GLY A 103
ILE A  61
 None
 1.02A 4nkxA-4m0dA:
undetectable		 4nkxA-4m0dA:
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 PHE A 411
ILE A 365
GLY A 108
THR A 370
VAL A 273
 None
 1.00A 4nkxA-4m8jA:
undetectable		 4nkxA-4m8jA:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-3.8A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.21A 4nkxA-4nkyA:
63.6		 4nkxA-4nkyA:
100.00
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 LEU A 500
ALA A 195
ILE A 154
GLY A 149
ALA A 148
 None
 1.04A 4nkxA-4pz2A:
undetectable		 4nkxA-4pz2A:
21.24
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.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		5 LEU A 173
ILE A  15
ILE A  16
ALA A 242
VAL A  21
 None
 0.83A 4nkxA-4q16A:
undetectable		 4nkxA-4q16A:
19.68
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.
4qhq LIPOPROTEIN

(Burkholderia
cenocepacia) 		PF03180
(Lipoprotein_9) 		5 LEU A 148
ALA A 198
ASN A 175
ILE A 154
ALA A 130
 None
 1.01A 4nkxA-4qhqA:
undetectable		 4nkxA-4qhqA:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 ALA A 126
GLY A 312
ALA A 313
ILE A 382
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
None
 1.01A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 ALA A 126
ILE A 218
GLY A 312
ALA A 313
ILE A 382
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
 1.06A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.40A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.58A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		6 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
 0.58A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
ASN A 209
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
AER  A 602 (-4.5A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 1.07A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		8 ALA A 120
ASN A 209
ILE A 212
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.65A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.96A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.52A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.79A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 LEU A 112
ILE A 212
GLY A 301
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.80A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 LEU A 112
PHE A 121
GLY A 301
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.70A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
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.
4uu5 MAGUK P55 SUBFAMILY
MEMBER 5

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 321
ALA A 269
ASN A 305
ILE A 280
VAL A 301
 None
 0.95A 4nkxA-4uu5A:
undetectable		 4nkxA-4uu5A:
13.83
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		5 ILE A 274
ILE A 275
GLY A 358
VAL A 331
VAL A 332
 None
 1.05A 4nkxA-4wbdA:
undetectable		 4nkxA-4wbdA:
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ILE A 170
ILE A 167
GLY A 268
ALA A 242
ILE A 230
 None
 0.93A 4nkxA-4wzzA:
undetectable		 4nkxA-4wzzA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		5 LEU A  41
ILE A  32
ILE A  28
ALA A  15
ILE A  61
 None
 1.05A 4nkxA-4zhtA:
undetectable		 4nkxA-4zhtA:
22.74
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.
5b0u OPLOPHORUS-LUCIFERIN
2-MONOOXYGENASE
CATALYTIC SUBUNIT

(Oplophorus
gracilirostris) 		no annotation 5 LEU A  30
ILE A  76
GLY A  71
VAL A  90
VAL A  80
 None
 0.87A 4nkxA-5b0uA:
undetectable		 4nkxA-5b0uA:
18.29
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ASN A 186
ILE A 189
GLY A 182
VAL A 202
VAL A 253
 None
None
PLP  A 401 (-3.4A)
None
None
 1.05A 4nkxA-5c3uA:
undetectable		 4nkxA-5c3uA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		5 PHE A 191
ILE A   9
GLY A  12
ALA A  41
ILE A 162
 None
 0.91A 4nkxA-5diyA:
undetectable		 4nkxA-5diyA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 ASN A  74
ILE A  76
ALA A  67
VAL A  44
VAL A  78
 None
 1.03A 4nkxA-5dnyA:
undetectable		 4nkxA-5dnyA:
22.24
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.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA E 180
ILE E 148
ALA E 128
VAL E 187
VAL E 146
 None
 0.89A 4nkxA-5f7rE:
undetectable		 4nkxA-5f7rE:
23.14
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 ALA A 415
ASN A 480
ILE A 481
GLY A 478
ALA A 477
 None
 1.05A 4nkxA-5f7uA:
undetectable		 4nkxA-5f7uA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ALA A 202
ILE A 143
GLY A 167
ILE A   6
VAL A  24
 None
 1.06A 4nkxA-5habA:
undetectable		 4nkxA-5habA:
21.44
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		5 LEU A 317
PHE A 321
GLY A 261
ALA A 260
VAL A 116
 None
None
PLP  A 501 ( 4.1A)
None
None
 0.93A 4nkxA-5hh9A:
undetectable		 4nkxA-5hh9A:
22.53
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.
5i5o MATRIX PROTEIN

(Thogoto
thogotovirus) 		PF17536
(Mx_ML) 		5 ILE A  23
ILE A  22
THR A  51
ILE A  40
VAL A  55
 None
 1.04A 4nkxA-5i5oA:
undetectable		 4nkxA-5i5oA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		5 ILE A 179
ILE A 183
ALA A 161
VAL A 167
VAL A 166
 None
 1.06A 4nkxA-5mlzA:
undetectable		 4nkxA-5mlzA:
21.20
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.
5oom 39S RIBOSOMAL
PROTEIN L30,
MITOCHONDRIAL

(Homo sapiens) 		PF00327
(Ribosomal_L30) 		5 PHE Z  46
ILE Z 119
ILE Z 117
ILE Z  41
VAL Z 113
 None
 0.93A 4nkxA-5oomZ:
undetectable		 4nkxA-5oomZ:
15.75
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 LEU A 122
ALA A 222
ILE A 134
ILE A 118
ILE A 244
 None
 1.02A 4nkxA-5vpuA:
undetectable		 4nkxA-5vpuA:
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 LEU A 309
ALA A 281
ILE A 318
ILE A 256
VAL A 325
 None
 0.94A 4nkxA-5xn8A:
undetectable		 4nkxA-5xn8A:
20.72
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		5 ASN A 181
ILE A 185
GLY A 247
ALA A 248
THR A 252
 None
None
None
HEM  A 501 (-3.4A)
HEM  A 501 (-3.9A)
 1.02A 4nkxA-5y1iA:
30.5		 4nkxA-5y1iA:
24.75
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 ASN A  97
ILE A  70
ILE A  98
ALA A  64
VAL A 109
 None
None
PO4  A 301 ( 4.3A)
SAM  A 302 (-3.6A)
PO4  A 301 (-4.3A)
 1.02A 4nkxA-5zw4A:
undetectable		 4nkxA-5zw4A:
11.50
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.52A 4nkxA-6b82A:
48.6		 4nkxA-6b82A:
9.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.62A 4nkxA-6b82A:
48.6		 4nkxA-6b82A:
9.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 8 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.60A 4nkxA-6b82A:
48.6		 4nkxA-6b82A:
9.72
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 PHE A 145
ILE A 176
ILE A 175
GLY A 167
ALA A 168
 None
 1.06A 4nkxA-6bk7A:
undetectable		 4nkxA-6bk7A:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ASN 0 477
ILE 0 480
ILE 0 481
ALA 0 514
VAL 0 511
 None
 0.89A 4nkxA-6ct00:
undetectable		 4nkxA-6ct00:
8.18
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A1633
PHE A1634
ILE A1575
ALA A1607
ILE A1675
 None
 0.88A 4nkxA-6ez8A:
undetectable		 4nkxA-6ez8A:
7.57