SIMILAR PATTERNS OF AMINO ACIDS FOR 4K38_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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 GLN B 115
ARG B 430
LEU B 112
VAL B 121
ILE B 122
 None
 1.48A 4k38A-1a6dB:
undetectable
4k38D-1a6dB:
undetectable		 4k38A-1a6dB:
21.15
4k38D-1a6dB:
5.00
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.
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
 1.36A 4k38A-1ckmA:
undetectable
4k38D-1ckmA:
undetectable		 4k38A-1ckmA:
21.52
4k38D-1ckmA:
5.39
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.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 TYR A 271
GLU A 233
GLN A 258
LEU A 226
ILE A 222
 None
 1.34A 4k38A-1krhA:
1.5
4k38D-1krhA:
undetectable		 4k38A-1krhA:
18.91
4k38D-1krhA:
4.44
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 210
GLN A 213
ARG A 265
VAL A 243
ILE A 220
 None
 1.37A 4k38A-1mnsA:
3.5
4k38D-1mnsA:
undetectable		 4k38A-1mnsA:
21.43
4k38D-1mnsA:
5.36
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.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF01380
(SIS) 		5 GLU A 396
GLN A 408
SER A 303
LEU A 346
LEU A 356
 None
None
G6P  A 609 (-2.7A)
None
None
 1.29A 4k38A-1morA:
undetectable
4k38D-1morA:
undetectable		 4k38A-1morA:
20.00
4k38D-1morA:
3.88
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 TYR A  30
GLU A  76
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.91A 4k38A-1tv8A:
18.9
4k38D-1tv8A:
undetectable		 4k38A-1tv8A:
22.89
4k38D-1tv8A:
5.88
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.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Bacillus
subtilis) 		PF02547
(Queuosine_synth) 		5 TYR A 286
GLU A 227
LEU A 260
ILE A 291
LEU A 312
 None
 1.29A 4k38A-1yy3A:
undetectable
4k38D-1yy3A:
undetectable		 4k38A-1yy3A:
21.53
4k38D-1yy3A:
8.44
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 TYR A 466
LEU A 462
VAL A 464
ILE A 412
LEU A 376
 None
None
None
None
COA  A2600 (-4.9A)
 1.44A 4k38A-2ahwA:
0.8
4k38D-2ahwA:
undetectable		 4k38A-2ahwA:
21.54
4k38D-2ahwA:
4.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2djb POLYCOMB GROUP RING
FINGER PROTEIN 6

(Homo sapiens) 		PF13923
(zf-C3HC4_2) 		5 TYR A  24
SER A  10
LEU A  12
ILE A  16
LEU A  25
 None
 1.27A 4k38A-2djbA:
undetectable
4k38D-2djbA:
undetectable		 4k38A-2djbA:
12.61
4k38D-2djbA:
12.73
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 271
VAL A 357
ILE A 360
LEU A 448
CYH A 268
 None
 1.16A 4k38A-2eu9A:
undetectable
4k38D-2eu9A:
undetectable		 4k38A-2eu9A:
21.31
4k38D-2eu9A:
10.74
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 GLN A 172
GLU B 382
SER A 286
VAL A 243
ILE A 213
 None
 1.48A 4k38A-2fpgA:
undetectable
4k38D-2fpgA:
undetectable		 4k38A-2fpgA:
19.73
4k38D-2fpgA:
5.45
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.
2gjt RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE PTPRO

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 TYR A 997
GLN A1027
LEU A 981
VAL A 979
ILE A 993
 None
 1.25A 4k38A-2gjtA:
undetectable
4k38D-2gjtA:
undetectable		 4k38A-2gjtA:
19.74
4k38D-2gjtA:
6.36
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.
2ijr HYPOTHETICAL PROTEIN
API92

(Yersinia
pseudotuberculosis) 		PF06924
(DUF1281) 		5 GLN A 134
SER A 185
LEU A 187
VAL A 191
LEU A 177
 None
 1.33A 4k38A-2ijrA:
undetectable
4k38D-2ijrA:
undetectable		 4k38A-2ijrA:
20.97
4k38D-2ijrA:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		5 GLU A 396
GLN A 408
SER A 303
LEU A 346
LEU A 356
 None
None
G6Q  A1610 (-2.6A)
None
None
 1.46A 4k38A-2j6hA:
undetectable
4k38D-2j6hA:
undetectable		 4k38A-2j6hA:
20.42
4k38D-2j6hA:
2.74
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.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLN A 347
GLU A 495
ILE A 370
LEU A 328
CYH A 378
 None
 1.43A 4k38A-2og8A:
undetectable
4k38D-2og8A:
undetectable		 4k38A-2og8A:
20.81
4k38D-2og8A:
8.15
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
 1.39A 4k38A-2qaeA:
undetectable
4k38D-2qaeA:
undetectable		 4k38A-2qaeA:
21.52
4k38D-2qaeA:
4.47
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.
2vfv XYLITOL OXIDASE

(Streptomyces
coelicolor) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLN A 288
GLU A 320
SER A 106
LEU A 107
ILE A 110
 SFD  A1418 (-3.2A)
SFD  A1418 ( 4.7A)
SFD  A1418 (-2.9A)
SFD  A1418 ( 4.3A)
SFD  A1418 (-4.1A)
 1.26A 4k38A-2vfvA:
undetectable
4k38D-2vfvA:
undetectable		 4k38A-2vfvA:
22.15
4k38D-2vfvA:
3.29
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.
2vla RESTRICTION
ENDONUCLEASE R.BPUJI

(Bacillus
pumilus) 		PF11564
(BpuJI_N) 		5 TYR A 140
GLN A 213
VAL A 164
ILE A 160
LEU A 145
 None
 1.37A 4k38A-2vlaA:
undetectable
4k38D-2vlaA:
undetectable		 4k38A-2vlaA:
20.48
4k38D-2vlaA:
5.70
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.
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
 1.21A 4k38A-2z81A:
undetectable
4k38D-2z81A:
undetectable		 4k38A-2z81A:
21.94
4k38D-2z81A:
4.53
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLN A 303
SER A 336
LEU A 299
LEU A 252
CYH A 305
 None
 1.40A 4k38A-3co8A:
3.9
4k38D-3co8A:
undetectable		 4k38A-3co8A:
23.56
4k38D-3co8A:
4.35
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLN A 303
SER A 336
LEU A 299
VAL A 330
CYH A 305
 None
 1.34A 4k38A-3co8A:
3.9
4k38D-3co8A:
undetectable		 4k38A-3co8A:
23.56
4k38D-3co8A:
4.35
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 TYR A 324
GLN A 303
SER A 336
LEU A 299
LEU A 252
 None
 1.38A 4k38A-3co8A:
3.9
4k38D-3co8A:
undetectable		 4k38A-3co8A:
23.56
4k38D-3co8A:
4.35
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.
3cx7 GLUTAMATE
TRANSPORTER
ASSOCIATED PROTEIN
48

(Rattus
norvegicus) 		PF09128
(RGS-like) 		5 GLN B 367
SER B 374
LEU B 377
ILE B 381
LEU B 386
 None
 1.30A 4k38A-3cx7B:
undetectable
4k38D-3cx7B:
undetectable		 4k38A-3cx7B:
21.25
4k38D-3cx7B:
8.76
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.
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 4k38A-3d4jA:
undetectable
4k38D-3d4jA:
undetectable		 4k38A-3d4jA:
21.03
4k38D-3d4jA:
3.78
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.
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
 1.28A 4k38A-3f4sA:
undetectable
4k38D-3f4sA:
undetectable		 4k38A-3f4sA:
21.11
4k38D-3f4sA:
6.67
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLN A 205
LEU A 198
VAL A 130
ILE A 131
LEU A 161
 NDP  A 601 (-3.7A)
None
None
None
None
 1.49A 4k38A-3fr8A:
undetectable
4k38D-3fr8A:
undetectable		 4k38A-3fr8A:
21.40
4k38D-3fr8A:
3.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fys PROTEIN DEGV

(Bacillus
subtilis) 		PF02645
(DegV) 		5 GLN A 123
LEU A 121
ILE A 232
LEU A 269
CYH A 120
 None
None
PLM  A 501 (-4.0A)
PLM  A 501 ( 4.6A)
PLM  A 501 ( 3.9A)
 1.46A 4k38A-3fysA:
undetectable
4k38D-3fysA:
undetectable		 4k38A-3fysA:
22.14
4k38D-3fysA:
6.25
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.
3hp0 PUTATIVE POLYKETIDE
BIOSYNTHESIS
ENOYL-COA HYDRATASE
HOMOLOG PKSH

(Bacillus
subtilis) 		PF00378
(ECH_1) 		5 GLN A  41
VAL A  11
ILE A   9
LEU A  56
CYH A  39
 None
 1.44A 4k38A-3hp0A:
undetectable
4k38D-3hp0A:
undetectable		 4k38A-3hp0A:
20.00
4k38D-3hp0A:
6.61
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.
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
 1.47A 4k38A-3ja6A:
undetectable
4k38D-3ja6A:
undetectable		 4k38A-3ja6A:
17.78
4k38D-3ja6A:
10.10
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.
3jvo GP6

(Escherichia
virus HK97) 		PF05135
(Phage_connect_1) 		5 GLU A  72
GLN A  17
LEU A  64
ILE A   9
LEU A   6
 None
 1.44A 4k38A-3jvoA:
undetectable
4k38D-3jvoA:
undetectable		 4k38A-3jvoA:
13.95
4k38D-3jvoA:
12.99
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.
3ly1 PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Pectobacterium
atrosepticum) 		PF00155
(Aminotran_1_2) 		5 GLN A 347
LEU A 343
VAL A 341
LEU A 325
CYH A 368
 None
 1.38A 4k38A-3ly1A:
undetectable
4k38D-3ly1A:
undetectable		 4k38A-3ly1A:
21.13
4k38D-3ly1A:
4.10
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.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		5 TYR A  95
SER A 101
LEU A 222
ILE A 241
LEU A 214
 None
 1.34A 4k38A-3ptwA:
undetectable
4k38D-3ptwA:
undetectable		 4k38A-3ptwA:
21.59
4k38D-3ptwA:
5.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 GLU A 133
GLN A  85
LEU A 118
ILE A 122
LEU A 147
 None
 1.44A 4k38A-3wvnA:
undetectable
4k38D-3wvnA:
undetectable		 4k38A-3wvnA:
19.19
4k38D-3wvnA:
2.76
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.
4c9b PRE-MRNA-SPLICING
FACTOR CWC22 HOMOLOG

(Homo sapiens) 		PF02854
(MIF4G) 		5 GLN B 228
GLU B 379
SER B 198
VAL B 219
ILE B 222
 None
 1.31A 4k38A-4c9bB:
undetectable
4k38D-4c9bB:
undetectable		 4k38A-4c9bB:
20.85
4k38D-4c9bB:
6.06
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 GLU A 406
ARG A 403
LEU A 410
ILE A 333
LEU A 286
 None
 1.50A 4k38A-4dg8A:
undetectable
4k38D-4dg8A:
undetectable		 4k38A-4dg8A:
19.97
4k38D-4dg8A:
8.28
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.
4fhr FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Thermotoga
maritima) 		PF01706
(FliG_C)
PF14841
(FliG_M) 		5 TYR B 137
GLN B 129
VAL B 173
ILE B 176
LEU B 180
 None
 1.50A 4k38A-4fhrB:
undetectable
4k38D-4fhrB:
undetectable		 4k38A-4fhrB:
23.17
4k38D-4fhrB:
6.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h65 PYRIMIDINE PRECURSOR
BIOSYNTHESIS ENZYME
THI5

(Saccharomyces
cerevisiae) 		PF09084
(NMT1) 		5 GLU A 325
GLN A 165
ARG A 186
ILE A 160
CYH A 162
 None
 1.33A 4k38A-4h65A:
undetectable
4k38D-4h65A:
undetectable		 4k38A-4h65A:
21.50
4k38D-4h65A:
5.36
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.
4h65 PYRIMIDINE PRECURSOR
BIOSYNTHESIS ENZYME
THI5

(Saccharomyces
cerevisiae) 		PF09084
(NMT1) 		5 GLU A 325
GLN A 165
ARG A 186
ILE A 160
LEU A  84
 None
 1.27A 4k38A-4h65A:
undetectable
4k38D-4h65A:
undetectable		 4k38A-4h65A:
21.50
4k38D-4h65A:
5.36
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 294
GLN A 168
GLN A 172
VAL A 298
ILE A 302
 None
 1.36A 4k38A-4hfnA:
undetectable
4k38D-4hfnA:
undetectable		 4k38A-4hfnA:
22.50
4k38D-4hfnA:
5.71
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 4k38A-4hfnA:
undetectable
4k38D-4hfnA:
undetectable		 4k38A-4hfnA:
22.50
4k38D-4hfnA:
5.71
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 TYR A 270
GLN A 290
GLN A 293
ILE A 307
CYH A 289
 None
 1.47A 4k38A-4i8vA:
undetectable
4k38D-4i8vA:
undetectable		 4k38A-4i8vA:
20.28
4k38D-4i8vA:
4.69
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.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 GLN A 369
GLU A 517
ILE A 392
LEU A 350
CYH A 400
 None
 1.43A 4k38A-4k11A:
undetectable
4k38D-4k11A:
undetectable		 4k38A-4k11A:
21.52
4k38D-4k11A:
4.62
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) 		8 GLN A  64
GLU A  67
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 None
SAM  A 504 (-4.1A)
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 (-4.1A)
 0.96A 4k38A-4k37A:
60.5
4k38D-4k37A:
undetectable		 4k38A-4k37A:
100.00
4k38D-4k37A:
5.22
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) 		7 TYR A  21
GLN A  98
GLU A  67
ARG A 134
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 (-4.4A)
SAM  A 504 (-4.1A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 1.32A 4k38A-4k37A:
60.5
4k38D-4k37A:
undetectable		 4k38A-4k37A:
100.00
4k38D-4k37A:
5.22
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) 		7 TYR A  21
GLU A  67
GLN A  98
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 1.12A 4k38A-4k37A:
60.5
4k38D-4k37A:
undetectable		 4k38A-4k37A:
100.00
4k38D-4k37A:
5.22
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) 		9 TYR A  21
TYR A  24
GLU A  67
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
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 (-4.1A)
 0.28A 4k38A-4k37A:
60.5
4k38D-4k37A:
undetectable		 4k38A-4k37A:
100.00
4k38D-4k37A:
5.22
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.
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
 1.30A 4k38A-4v194:
undetectable
4k38D-4v194:
undetectable		 4k38A-4v194:
14.86
4k38D-4v194:
8.73
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 TYR A 170
GLN A 165
SER A 164
VAL A 168
LEU A  81
 None
 1.31A 4k38A-4v39A:
2.6
4k38D-4v39A:
undetectable		 4k38A-4v39A:
23.02
4k38D-4v39A:
3.82
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.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		5 TYR A 199
GLU A 191
LEU A 183
VAL A 203
LEU A 247
 None
 1.37A 4k38A-4x3mA:
undetectable
4k38D-4x3mA:
undetectable		 4k38A-4x3mA:
20.84
4k38D-4x3mA:
6.67
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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLU A 265
ARG A 407
LEU A 284
ILE A 283
LEU A 400
 None
 1.47A 4k38A-4xeaA:
undetectable
4k38D-4xeaA:
undetectable		 4k38A-4xeaA:
22.39
4k38D-4xeaA:
7.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 2

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF00004
(AAA)
PF09079
(Cdc6_C)
PF04084
(ORC2) 		5 GLU A 851
LEU B 567
ILE B 533
LEU B 578
CYH B 562
 None
 1.25A 4k38A-4xgcA:
undetectable
4k38D-4xgcA:
undetectable		 4k38A-4xgcA:
22.46
4k38D-4xgcA:
4.62
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.
5aiw TRAH

(Enterococcus
faecalis) 		no annotation 5 GLU A 134
GLN A 141
LEU A 164
ILE A 178
LEU A 180
 None
 1.49A 4k38A-5aiwA:
undetectable
4k38D-5aiwA:
undetectable		 4k38A-5aiwA:
17.20
4k38D-5aiwA:
7.14
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.
5cdh MAJOR ACID
PHOSPHATASE

(Legionella
pneumophila) 		PF00328
(His_Phos_2) 		5 GLU A 241
SER A 251
LEU A 254
ILE A 258
LEU A 343
 None
 1.45A 4k38A-5cdhA:
undetectable
4k38D-5cdhA:
undetectable		 4k38A-5cdhA:
18.58
4k38D-5cdhA:
6.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 GLN A 557
SER A 577
LEU A 357
VAL A 599
LEU A 380
 None
 1.41A 4k38A-5iheA:
undetectable
4k38D-5iheA:
undetectable		 4k38A-5iheA:
21.53
4k38D-5iheA:
2.62
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.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 GLN A  24
ARG A   7
VAL A 232
ILE A 236
CYH A  26
 None
 1.23A 4k38A-5nthA:
undetectable
4k38D-5nthA:
undetectable		 4k38A-5nthA:
22.06
4k38D-5nthA:
3.49
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.
5omm CAPSID PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 GLU A 255
GLN A 410
ARG A 443
ILE A 446
LEU A 448
 None
 1.50A 4k38A-5ommA:
undetectable
4k38D-5ommA:
undetectable		 4k38A-5ommA:
20.90
4k38D-5ommA:
5.63
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.
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
 1.42A 4k38A-5um6A:
undetectable
4k38D-5um6A:
undetectable		 4k38A-5um6A:
16.87
4k38D-5um6A:
1.50
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 GLU A  25
SER A 463
LEU A 130
ILE A 394
LEU A 355
 None
 1.49A 4k38A-5z0uA:
3.6
4k38D-5z0uA:
undetectable		 4k38A-5z0uA:
undetectable
4k38D-5z0uA:
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.
6b7p SDED

(Legionella
pneumophila) 		no annotation 5 GLU A 242
LEU A 193
VAL A 202
ILE A 213
LEU A 217
 None
 1.37A 4k38A-6b7pA:
undetectable
4k38D-6b7pA:
undetectable		 4k38A-6b7pA:
undetectable
4k38D-6b7pA:
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.
6bwy PROTECTION OF
TELOMERES PROTEIN 1,
DNA DC->
DU-EDITING ENZYME
APOBEC-3G FUSION

(Schizosaccharomyces
pombe;
Homo sapiens) 		no annotation 5 TYR A  40
GLN A  48
SER A  52
ARG A  51
LEU A 185
 None
 1.37A 4k38A-6bwyA:
undetectable
4k38D-6bwyA:
undetectable		 4k38A-6bwyA:
undetectable
4k38D-6bwyA:
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.
6c08 ANTIBODY FAB LIGHT
CHAIN

(Mus musculus) 		no annotation 5 GLN B  40
GLU B  90
LEU B  76
VAL B  19
ILE B  78
 None
 1.41A 4k38A-6c08B:
undetectable
4k38D-6c08B:
undetectable		 4k38A-6c08B:
undetectable
4k38D-6c08B:
undetectable