SIMILAR PATTERNS OF AMINO ACIDS FOR 4K36_A_SAMA504_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Paramecium
bursaria
Chlorella virus
1) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		5 TYR A 226
LEU A  46
VAL A 149
ILE A 127
LEU A  56
 None
 1.38A 4k36A-1ckmA:
undetectable		 4k36A-1ckmA:
21.08
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.
1eqf RNA POLYMERASE II
TRANSCRIPTION
INITIATION FACTOR

(Homo sapiens) 		PF00439
(Bromodomain) 		5 ASN A1455
SER A1456
LEU A1466
ILE A1469
LEU A1399
 None
 1.30A 4k36A-1eqfA:
undetectable		 4k36A-1eqfA:
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLU A 438
ASN A 436
LEU A 434
ILE A 430
LEU A 426
 None
 1.42A 4k36A-1ozhA:
undetectable		 4k36A-1ozhA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 GLU A 707
ARG A 684
LEU A 685
ILE A 748
LEU A 721
 None
None
None
None
A  T  35 ( 4.6A)
 1.28A 4k36A-1qu2A:
undetectable		 4k36A-1qu2A:
18.46
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		6 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.90A 4k36A-1tv8A:
18.7		 4k36A-1tv8A:
22.17
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.
1vyn ARGONAUTE2

(Drosophila
melanogaster) 		PF02170
(PAZ) 		5 ASN A  21
LEU A  11
ILE A 113
CYH A  99
LEU A 111
 None
 1.47A 4k36A-1vynA:
undetectable		 4k36A-1vynA:
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 ARG A 474
LEU A 475
VAL A 473
ILE A 450
LEU A 469
 None
 1.38A 4k36A-1woyA:
0.8		 4k36A-1woyA:
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.
1xjv PROTECTION OF
TELOMERES 1

(Homo sapiens) 		PF02765
(POT1)
PF16686
(POT1PC) 		5 ASN A 215
SER A 193
ARG A 195
ILE A 220
LEU A 168
 None
 1.47A 4k36A-1xjvA:
undetectable		 4k36A-1xjvA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y89 DEVB PROTEIN

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 ASN A 159
SER A 161
VAL A 174
ILE A 102
CYH A  71
 None
 1.40A 4k36A-1y89A:
1.0		 4k36A-1y89A:
21.36
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.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		5 GLU A 252
ASN A 245
LEU A 240
ILE A 216
LEU A  60
 None
 1.45A 4k36A-2ch1A:
undetectable		 4k36A-2ch1A:
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.
2gn4 UDP-GLCNAC C6
DEHYDRATASE

(Helicobacter
pylori) 		PF02719
(Polysacc_synt_2) 		5 ASN A 107
SER A 148
LEU A 151
ILE A 115
CYH A 118
 None
 1.30A 4k36A-2gn4A:
undetectable		 4k36A-2gn4A:
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.
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		5 TYR A 342
VAL A 486
ILE A 461
CYH A 464
LEU A 339
 None
 0.98A 4k36A-2hjhA:
undetectable		 4k36A-2hjhA:
23.15
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 368
SER A 361
VAL A 359
ILE A 353
LEU A 187
 None
 1.41A 4k36A-2qaeA:
undetectable		 4k36A-2qaeA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rq4 CUG-BP- AND
ETR-3-LIKE FACTOR 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 TYR A 449
GLU A 396
LEU A 476
VAL A 474
ILE A 459
 None
 1.08A 4k36A-2rq4A:
undetectable		 4k36A-2rq4A:
16.45
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 249
LEU A 221
VAL A 224
ILE A 220
LEU A 205
 None
 1.14A 4k36A-2z81A:
undetectable		 4k36A-2z81A:
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.
3cue TRANSPORT PROTEIN
PARTICLE 31 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF04051
(TRAPP) 		5 TYR B 266
LEU B 191
VAL B 233
ILE B 236
CYH B 234
 None
 1.39A 4k36A-3cueB:
undetectable		 4k36A-3cueB:
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		5 TYR A 131
SER A 114
VAL A 112
ILE A  65
LEU A  83
 None
 1.25A 4k36A-3d4jA:
undetectable		 4k36A-3d4jA:
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		5 TYR A 142
GLU A 145
VAL A 151
CYH A  82
LEU A  83
 None
 1.48A 4k36A-3d4jA:
undetectable		 4k36A-3d4jA:
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.
3f4s PUTATIVE
UNCHARACTERIZED
PROTEIN

(Wolbachia
endosymbiont of
Drosophila
melanogaster) 		PF13462
(Thioredoxin_4) 		5 TYR A  98
GLU A 102
VAL A 111
ILE A 132
LEU A  94
 None
 1.34A 4k36A-3f4sA:
undetectable		 4k36A-3f4sA:
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.
3gn6 CT0912, ORFAN
PROTEIN WITH A
FERREDOXIN-LIKE
DOMAIN REPEAT

(Chlorobaculum
tepidum) 		no annotation 5 GLU A 191
LEU A 258
VAL A 168
ILE A 257
LEU A 221
 None
 1.41A 4k36A-3gn6A:
undetectable		 4k36A-3gn6A:
20.64
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLU B 482
ASN B 523
VAL B 172
ILE B 189
LEU B 315
 None
 1.31A 4k36A-3hkzB:
undetectable		 4k36A-3hkzB:
15.54
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.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Halorhodospira
halophila) 		PF07883
(Cupin_2) 		5 GLU A  50
SER A 129
VAL A 127
CYH A 125
LEU A 124
 None
 1.36A 4k36A-3ibmA:
undetectable		 4k36A-3ibmA:
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.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Halorhodospira
halophila) 		PF07883
(Cupin_2) 		5 SER A 129
ARG A 131
VAL A 127
CYH A 125
LEU A 124
 None
 1.21A 4k36A-3ibmA:
undetectable		 4k36A-3ibmA:
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.
3ja6 CHEMOTAXIS PROTEIN
CHEW

(Escherichia
coli) 		PF01584
(CheW) 		5 GLU A  17
SER A  15
LEU A 102
ILE A 104
LEU A 109
 None
 1.49A 4k36A-3ja6A:
undetectable		 4k36A-3ja6A:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pj9 NUCLEOSIDE
DIPHOSPHATE KINASE

(Campylobacter
jejuni) 		PF00334
(NDK) 		5 TYR A  49
ASN A 122
SER A 117
LEU A   5
ILE A   7
 SO4  A 138 (-4.7A)
None
None
None
None
 1.41A 4k36A-3pj9A:
undetectable		 4k36A-3pj9A:
18.16
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.
3plx ASPARTATE
1-DECARBOXYLASE

(Campylobacter
jejuni) 		PF02261
(Asp_decarbox) 		5 ASN B 110
LEU B  32
ILE B  28
CYH B  69
LEU B  70
 PEG  B 127 ( 4.8A)
None
None
None
PYR  B  25 ( 4.8A)
 1.35A 4k36A-3plxB:
undetectable		 4k36A-3plxB:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 GLU A 580
ASN A 577
VAL A 461
ILE A 433
LEU A 450
 None
 1.39A 4k36A-3q3hA:
2.5		 4k36A-3q3hA:
20.22
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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis) 		PF00069
(Pkinase) 		5 ASN A 316
SER A 319
LEU A 403
VAL A 605
LEU A 440
 None
 1.34A 4k36A-3qa8A:
undetectable		 4k36A-3qa8A:
18.62
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 GLN A 996
ASN A 989
LEU A1033
ILE A1029
LEU A 980
 None
None
None
CA  A2764 ( 4.7A)
None
 1.06A 4k36A-4amcA:
undetectable		 4k36A-4amcA:
16.42
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.
4arv PHYTASE

(Yersinia
kristensenii) 		PF00328
(His_Phos_2) 		5 GLU A 361
GLN A 358
ASN A 365
LEU A  58
LEU A  48
 None
 1.43A 4k36A-4arvA:
undetectable		 4k36A-4arvA:
21.67
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 TYR A1041
GLU A 996
ASN A 999
LEU A1004
ILE A1022
 None
 1.46A 4k36A-4aygA:
undetectable		 4k36A-4aygA:
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.
4bwe GLYPICAN-1

(Homo sapiens) 		PF01153
(Glypican) 		5 GLU A 289
ASN A 292
SER A 296
LEU A 467
LEU A 104
 None
 1.50A 4k36A-4bweA:
undetectable		 4k36A-4bweA:
22.27
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ARG A 157
LEU A 187
ILE A 189
CYH A 230
LEU A 231
 None
 1.25A 4k36A-4ga6A:
undetectable		 4k36A-4ga6A:
24.62
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ASN A  48
LEU A 139
VAL A  51
CYH A  54
LEU A  60
 None
 1.42A 4k36A-4ggpA:
2.3		 4k36A-4ggpA:
21.25
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.
4gxh PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Xenorhabdus
bovienii) 		PF01470
(Peptidase_C15) 		5 ASN A  36
LEU A  64
VAL A   6
ILE A  66
LEU A 193
 None
 1.43A 4k36A-4gxhA:
undetectable		 4k36A-4gxhA:
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 294
TYR A 130
GLU A 311
VAL A 298
ILE A 299
 None
 1.23A 4k36A-4hfnA:
undetectable		 4k36A-4hfnA:
23.46
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.
4hpf POTASSIUM CHANNEL
SUBFAMILY U MEMBER 1

(Homo sapiens) 		PF03493
(BK_channel_a) 		5 TYR A 915
ASN A 471
ARG A 444
LEU A 412
ILE A 334
 None
 1.32A 4k36A-4hpfA:
undetectable		 4k36A-4hpfA:
20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		12 TYR A  21
TYR A  24
GLU A  67
GLN A  98
ASN A 100
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
CYH A 194
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SF4  A 503 ( 4.2A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.30A 4k36A-4k37A:
59.7		 4k36A-4k37A:
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.
4m77 U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM8

(Saccharomyces
cerevisiae) 		PF01423
(LSM) 		5 GLN A  54
ASN A  40
ARG A  12
LEU A  38
ILE A  15
 None
 1.19A 4k36A-4m77A:
undetectable		 4k36A-4m77A:
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.
4m7a U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM8

(Saccharomyces
cerevisiae) 		PF01423
(LSM) 		5 GLN A  54
ASN A  40
ARG A  12
LEU A  38
ILE A  15
 None
 1.19A 4k36A-4m7aA:
undetectable		 4k36A-4m7aA:
13.73
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 ASN A 189
VAL A 233
ILE A 231
CYH A 232
LEU A 252
 None
 1.28A 4k36A-4mzuA:
undetectable		 4k36A-4mzuA:
21.23
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		5 ASN A 433
LEU A 471
VAL A 429
ILE A 473
LEU A 450
 None
None
TRS  A 618 (-3.9A)
None
None
 1.47A 4k36A-4pspA:
2.0		 4k36A-4pspA:
21.04
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.
4v19 MITORIBOSOMAL
PROTEIN BL31M,
MRPL55

(Sus scrofa) 		PF09776
(Mitoc_L55) 		5 ARG 4  73
LEU 4  57
VAL 4  55
ILE 4  67
LEU 4  52
 None
 1.25A 4k36A-4v194:
undetectable		 4k36A-4v194:
15.05
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.
4wb0 BROAD SPECIFICITY
AMINOTRANSFERASE

(Leishmania
mexicana) 		PF00155
(Aminotran_1_2) 		5 TYR A  93
ASN A 101
VAL A 249
ILE A 247
LEU A 241
 None
 1.40A 4k36A-4wb0A:
undetectable		 4k36A-4wb0A:
20.88
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		5 TYR A 469
SER A 296
LEU A 220
VAL A 300
LEU A 216
 None
 1.45A 4k36A-4ylrA:
undetectable		 4k36A-4ylrA:
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.
4zu4 WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF05523
(FdtA) 		5 ASN A 189
VAL A 233
ILE A 231
CYH A 232
LEU A 252
 None
 1.25A 4k36A-4zu4A:
undetectable		 4k36A-4zu4A:
18.12
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 ASN A 306
LEU A  66
VAL A  62
ILE A  63
LEU A  56
 None
 1.23A 4k36A-5cerA:
undetectable		 4k36A-5cerA:
22.25
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.
5cmw EPSIN-5

(Saccharomyces
cerevisiae) 		PF01417
(ENTH) 		5 LEU A 116
VAL A 111
ILE A 112
CYH A 108
LEU A  76
 None
 1.40A 4k36A-5cmwA:
undetectable		 4k36A-5cmwA:
20.41
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.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 GLU A 250
ARG A 303
LEU A 308
ILE A 279
LEU A 203
 None
 1.45A 4k36A-5ddsA:
undetectable		 4k36A-5ddsA:
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.
5eh1 INTERFERON GAMMA
RECEPTOR 2

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 TYR A 235
ASN A 231
VAL A 148
ILE A 157
LEU A 199
 None
 1.37A 4k36A-5eh1A:
undetectable		 4k36A-5eh1A:
18.83
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		5 TYR A 483
LEU A 190
VAL A 161
ILE A 188
CYH A 186
 None
 1.14A 4k36A-5gtkA:
undetectable		 4k36A-5gtkA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 TYR A1362
GLN A 881
ASN A 953
LEU A 956
ILE A 878
 None
 1.50A 4k36A-5ip9A:
undetectable		 4k36A-5ip9A:
11.45
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLN B  47
ASN B  52
SER B  50
LEU B 408
LEU B 416
 None
 1.28A 4k36A-5ip9B:
undetectable		 4k36A-5ip9B:
14.89
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 GLU A 151
SER A 159
LEU A 182
VAL A 163
LEU A 414
 None
 1.47A 4k36A-5livA:
undetectable		 4k36A-5livA:
21.86
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.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 GLN A1082
ASN A1078
LEU A1074
ILE A 976
LEU A1000
 None
 1.24A 4k36A-5n0cA:
undetectable		 4k36A-5n0cA:
14.95
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 ASN A 720
ARG A 727
LEU A 783
ILE A 778
LEU A 712
 None
 1.36A 4k36A-5n2gA:
undetectable		 4k36A-5n2gA:
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 TYR A 697
TYR A 550
ASN A 785
VAL A 782
ILE A 778
 None
 1.47A 4k36A-5n2gA:
undetectable		 4k36A-5n2gA:
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		5 ASN A 333
SER A 334
ARG A 275
LEU A 336
ILE A 337
 None
 1.38A 4k36A-5u22A:
3.2		 4k36A-5u22A:
22.52
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 TYR A  81
SER A 358
LEU A  48
VAL A  50
LEU A  83
 None
 1.38A 4k36A-5um6A:
undetectable		 4k36A-5um6A:
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.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		5 ASN A 125
LEU A 131
VAL A  65
ILE A  68
LEU A  79
 None
 1.48A 4k36A-5vpqA:
undetectable		 4k36A-5vpqA:
18.86
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		6 GLU A 127
ASN A 158
SER A 180
VAL A 224
CYH A 251
LEU A 252
 SAH  A 402 (-4.3A)
SF4  A 401 ( 4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-3.8A)
SAH  A 402 (-4.5A)
 0.43A 4k36A-5vslA:
19.2		 4k36A-5vslA:
23.23
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		5 SER A 180
ARG A 194
VAL A 224
CYH A 251
LEU A 252
 SAH  A 402 (-2.4A)
SAH  A 402 ( 3.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-3.8A)
SAH  A 402 (-4.5A)
 0.81A 4k36A-5vslA:
19.2		 4k36A-5vslA:
23.23
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.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 TYR A 110
GLU A 155
ASN A 188
SER A 210
ARG A 222
 SAM  A 504 (-4.8A)
SAM  A 504 (-3.7A)
SF4  A 502 ( 4.3A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
 0.18A 4k36A-5wggA:
31.0		 4k36A-5wggA:
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.
5xyu 30S RIBOSOMAL
PROTEIN S7

(Mycolicibacterium
smegmatis) 		PF00177
(Ribosomal_S7) 		5 ASN G 106
SER G 108
LEU G 120
ILE G  42
LEU G  38
 C  A 922 ( 4.9A)
None
None
U  A1221 ( 3.6A)
G  A1222 ( 4.1A)
 1.34A 4k36A-5xyuG:
undetectable		 4k36A-5xyuG:
17.42
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 TYR E1293
GLN E 444
LEU E 586
ILE E 585
LEU E1288
 None
 1.45A 4k36A-6c3pE:
undetectable		 4k36A-6c3pE:
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 5 GLN A 251
ASN A 257
LEU A 264
ILE A 279
LEU A 277
 None
 1.34A 4k36A-6c9mA:
undetectable		 4k36A-6c9mA:
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.
6cdd NPL4 ZINC FINGER

(Chaetomium
thermophilum) 		no annotation 5 GLU A 374
GLN A 281
SER A 407
LEU A 349
VAL A 360
 None
 1.40A 4k36A-6cddA:
undetectable		 4k36A-6cddA:
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.
6f1y CYTOPLASMIC DYNEIN 1
LIGHT INTERMEDIATE
CHAIN 2

(Homo sapiens) 		no annotation 5 ASN j 105
LEU j 132
VAL j  59
ILE j 134
LEU j  70
 None
 1.05A 4k36A-6f1yj:
undetectable		 4k36A-6f1yj:
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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 GLU A 101
SER A 109
LEU A 132
VAL A 113
LEU A 364
 None
 1.40A 4k36A-6f85A:
undetectable		 4k36A-6f85A:
undetectable