SIMILAR PATTERNS OF AMINO ACIDS FOR 6J21_A_GBQA1201_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.
1cqi PROTEIN
(SUCCINYL-COA
SYNTHETASE BETA
CHAIN)

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 ASN B 285
PRO B 283
ILE B 259
ILE B 305
VAL B 381
 None
 1.17A 6j21A-1cqiB:
0.0		 6j21A-1cqiB:
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.
1g7o GLUTAREDOXIN 2

(Escherichia
coli) 		PF04399
(Glutaredoxin2_C)
PF13417
(GST_N_3) 		5 ILE A   5
VAL A  48
ILE A 207
VAL A  30
PHE A 110
 None
 1.45A 6j21A-1g7oA:
undetectable		 6j21A-1g7oA:
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.
1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01658
(Inos-1-P_synth) 		5 ILE A 319
VAL A 322
ILE A  93
VAL A  59
PHE A  64
 None
 1.01A 6j21A-1gr0A:
0.0		 6j21A-1gr0A:
20.75
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.
1jc9 TECHYLECTIN-5A

(Tachypleus
tridentatus) 		PF00147
(Fibrinogen_C) 		5 ASN A 225
ILE A  92
ILE A 162
PHE A 143
PHE A 184
 None
 1.45A 6j21A-1jc9A:
0.0		 6j21A-1jc9A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khw RNA-DIRECTED RNA
POLYMERASE

(Rabbit
hemorrhagic
disease virus) 		PF00680
(RdRP_1) 		5 ILE A 221
VAL A 223
ILE A 269
PHE A 205
MET A 310
 None
 1.39A 6j21A-1khwA:
0.0		 6j21A-1khwA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 ASN A 113
ILE A  76
VAL A 104
ILE A 139
HIS A 131
 None
None
None
None
ZN  A 303 (-3.4A)
 1.40A 6j21A-1m68A:
0.0		 6j21A-1m68A:
20.85
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.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		5 ASN A 501
PRO A 557
ILE A 558
VAL A 561
VAL A 610
 None
 1.07A 6j21A-1mqsA:
0.0		 6j21A-1mqsA:
20.67
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ASN A 377
PRO A 376
ILE A 375
ILE A 381
PHE A 156
 None
 1.38A 6j21A-1obbA:
0.0		 6j21A-1obbA:
22.09
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.
1og3 T-CELL
ECTO-ADP-RIBOSYLTRAN
SFERASE 2

(Rattus
norvegicus) 		PF01129
(ART) 		5 PRO A 193
ILE A 192
ILE A 178
HIS A 122
VAL A 124
 None
 1.37A 6j21A-1og3A:
0.0		 6j21A-1og3A:
17.69
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.
1oht CG14704 PROTEIN

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 ILE A 134
VAL A 138
ILE A  82
VAL A  39
PHE A  94
 None
 1.24A 6j21A-1ohtA:
undetectable		 6j21A-1ohtA:
16.71
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASN A 252
VAL A 127
HIS A 236
PHE A 217
PHE A 239
 None
 1.28A 6j21A-1qf7A:
undetectable		 6j21A-1qf7A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 ILE A 120
ILE A 200
VAL A 217
HIS A 292
PHE A 220
 None
 1.32A 6j21A-1qleA:
2.3		 6j21A-1qleA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 ILE A 310
ILE A 356
PHE A 182
HIS A 227
PHE A 348
 None
 1.34A 6j21A-1vrgA:
undetectable		 6j21A-1vrgA:
20.99
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.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase) 		5 ASN A 252
VAL A 127
HIS A 236
PHE A 217
PHE A 239
 None
HDD  E 760 (-4.3A)
None
None
None
 1.32A 6j21A-1ye9A:
undetectable		 6j21A-1ye9A:
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		5 ASN A 483
PRO A 454
ILE A 471
VAL A 456
PHE A 487
 None
 1.22A 6j21A-1yvlA:
1.5		 6j21A-1yvlA:
18.99
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A 167
VAL A 201
VAL A 165
PHE A 233
PHE A 211
 None
 1.30A 6j21A-2avtA:
undetectable		 6j21A-2avtA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ASN A 707
ASN A 509
ILE A 128
ILE A 507
PHE A 154
 None
None
None
SF4  A1000 ( 3.8A)
None
 1.25A 6j21A-2b3xA:
undetectable		 6j21A-2b3xA:
19.30
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ASN A  37
PRO A  70
ILE A  72
VAL A 108
VAL A 100
 None
 1.41A 6j21A-2bufA:
undetectable		 6j21A-2bufA:
20.04
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.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 PRO A 181
ILE A 182
ILE A  93
HIS A 138
VAL A 141
 None
 1.30A 6j21A-2c07A:
undetectable		 6j21A-2c07A:
20.85
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.
2ciy CHLOROPEROXIDASE

(Leptoxyphium
fumago) 		PF01328
(Peroxidase_2) 		5 ASN A 181
ASN A 154
VAL A 205
VAL A 142
PHE A 109
 None
None
None
None
HEM  A 396 (-4.5A)
 1.19A 6j21A-2ciyA:
undetectable		 6j21A-2ciyA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix2 DNA POLYMERASE
SLIDING CLAMP B

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N) 		5 ASN A 135
ILE A 231
VAL A 233
ILE A 159
VAL A 209
 None
 1.45A 6j21A-2ix2A:
undetectable		 6j21A-2ix2A:
17.97
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		5 ASN A1037
ILE A1116
VAL A1120
VAL A1091
PHE A1050
 None
 1.40A 6j21A-2ix8A:
undetectable		 6j21A-2ix8A:
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.
2nnf SULFUR
COVALENTLY-BINDING
PROTEIN

(Chlorobium
limicola) 		PF13501
(SoxY) 		5 ASN A  58
ILE A  31
VAL A  49
ILE A  25
PHE A  62
 None
 1.29A 6j21A-2nnfA:
undetectable		 6j21A-2nnfA:
14.12
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 ASN A  28
PRO A 201
VAL A 205
HIS A 288
VAL A 287
 None
 1.08A 6j21A-2nuxA:
undetectable		 6j21A-2nuxA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		5 ILE A 139
VAL A  41
HIS A 283
PHE A  57
PHE A  54
 None
 1.31A 6j21A-2q0xA:
undetectable		 6j21A-2q0xA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 ASN A 446
PRO A 255
ILE A 254
ILE A 410
VAL A 492
 None
 1.33A 6j21A-2qqpA:
undetectable		 6j21A-2qqpA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rb5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 ASN A  69
ILE A  49
ILE A   9
VAL A 131
PHE A 178
 None
None
WO6  A 801 (-3.6A)
None
None
 1.29A 6j21A-2rb5A:
undetectable		 6j21A-2rb5A:
20.49
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ASN A  60
ASN A 267
ILE A 259
VAL A 341
PHE A 322
 None
 1.48A 6j21A-2ww2A:
undetectable		 6j21A-2ww2A:
20.31
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ASN A  54
ASN A 262
ILE A 254
VAL A 335
PHE A 316
 None
 1.48A 6j21A-2wzsA:
undetectable		 6j21A-2wzsA:
19.12
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.
2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF01259
(SAICAR_synt) 		5 ILE A  22
ILE A  92
HIS A  75
VAL A  30
PHE A  34
 ATP  A1527 (-4.4A)
ATP  A1527 (-3.7A)
ATP  A1527 (-4.1A)
None
None
 1.31A 6j21A-2z02A:
undetectable		 6j21A-2z02A:
18.97
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.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 ILE X  24
VAL X  31
ILE X 148
HIS X 108
MET X  95
 None
None
NPO  X1601 (-4.0A)
NPO  X1601 ( 3.7A)
None
 1.45A 6j21A-2zyvX:
undetectable		 6j21A-2zyvX:
19.28
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 ILE A 196
VAL A 199
ILE A 184
VAL A 230
PHE A 214
 PEE  A 311 (-4.8A)
None
PEE  A 311 ( 3.9A)
None
PEE  A 311 ( 4.4A)
 1.42A 6j21A-3b74A:
undetectable		 6j21A-3b74A:
20.13
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ASN A  71
ILE A  44
ILE A  39
VAL A  92
PHE A  17
 None
 1.31A 6j21A-3bc9A:
undetectable		 6j21A-3bc9A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 ASN A 167
VAL A 244
ILE A 195
VAL A 267
PHE A 222
 None
 1.43A 6j21A-3cz8A:
undetectable		 6j21A-3cz8A:
19.69
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.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 ASN A 370
ILE A 372
VAL A 151
HIS A 201
VAL A 198
 None
 1.18A 6j21A-3dkpA:
undetectable		 6j21A-3dkpA:
19.23
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.
3doa FIBRINOGEN BINDING
PROTEIN

(Staphylococcus
aureus) 		PF05833
(FbpA) 		5 ILE A 129
VAL A 131
ILE A  51
HIS A 143
VAL A 154
 None
 1.47A 6j21A-3doaA:
undetectable		 6j21A-3doaA:
18.39
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 ASN A 230
ILE A 248
VAL A 265
ILE A 139
VAL A 210
 None
 1.14A 6j21A-3dwzA:
undetectable		 6j21A-3dwzA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni) 		PF00866
(Ring_hydroxyl_B) 		5 ASN B 181
VAL B 143
HIS B 110
PHE B 146
PHE B 186
 None
 1.49A 6j21A-3gzyB:
undetectable		 6j21A-3gzyB:
17.73
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.
3h2t BASEPLATE STRUCTURAL
PROTEIN GP6

(Escherichia
virus T4) 		no annotation 5 PRO A 378
ILE A 357
ILE A 392
VAL A 349
PHE A 455
 None
 1.46A 6j21A-3h2tA:
undetectable		 6j21A-3h2tA:
20.99
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.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		5 ASN A 288
ILE A  81
VAL A 267
ILE A  96
VAL A 259
 None
None
None
None
SO4  A 433 (-4.0A)
 1.43A 6j21A-3hyvA:
undetectable		 6j21A-3hyvA:
21.13
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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 ILE A  49
VAL A  69
ILE A 117
VAL A 111
PHE A  36
 None
 1.31A 6j21A-3iv6A:
undetectable		 6j21A-3iv6A:
20.73
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.
3j9o INTRACELLULAR GROWTH
LOCUS PROTEIN A
INTRACELLULAR GROWTH
LOCUS PROTEIN B

(Francisella
tularensis;
Francisella
tularensis) 		PF05591
(T6SS_VipA)
PF05943
(VipB) 		5 ASN B  89
VAL A  81
ILE B  92
VAL A 109
PHE B 271
 None
 1.39A 6j21A-3j9oB:
undetectable		 6j21A-3j9oB:
20.38
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.
3l60 BRANCHED-CHAIN
ALPHA-KETO ACID
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00198
(2-oxoacid_dh) 		5 ASN A 233
ILE A 235
VAL A 366
VAL A 251
PHE A 309
 None
 1.27A 6j21A-3l60A:
undetectable		 6j21A-3l60A:
19.42
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 VAL A 345
HIS A 101
VAL A 264
PHE A 338
MET A 335
 None
 1.41A 6j21A-3m9vA:
3.5		 6j21A-3m9vA:
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ASN A 236
PRO A 153
ILE A 156
VAL A 155
VAL A 112
 None
CL  A2004 (-3.7A)
None
None
None
 1.18A 6j21A-3myrA:
undetectable		 6j21A-3myrA:
19.24
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.
3oft CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 PRO A 145
ILE A 148
VAL A 117
PHE A 140
PHE A 358
 None
 1.28A 6j21A-3oftA:
0.4		 6j21A-3oftA:
21.56
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 ASN A 121
PRO A 125
ILE A 128
VAL A 225
PHE A 228
 None
 1.19A 6j21A-3omnA:
6.3		 6j21A-3omnA:
22.10
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 PRO A 125
ILE A 128
VAL A 225
PHE A 228
HIS A 300
 None
 1.17A 6j21A-3omnA:
6.3		 6j21A-3omnA:
22.10
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00171
(Aldedh) 		5 ASN A 233
ILE A 270
ILE A 407
VAL A 371
PHE A 357
 None
 1.46A 6j21A-3rosA:
undetectable		 6j21A-3rosA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A 448
ILE A  83
ILE A 465
HIS A 452
HIS A  65
 None
None
None
CU  A 503 ( 3.3A)
CU  A 504 (-3.1A)
 1.48A 6j21A-3t6wA:
undetectable		 6j21A-3t6wA:
22.80
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.
3t79 KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		5 ASN A 311
PRO A 198
ILE A 199
ILE A 307
PHE A 185
 None
 1.47A 6j21A-3t79A:
undetectable		 6j21A-3t79A:
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.
3tpc SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 ASN A  87
ILE A  11
VAL A  34
ILE A 124
VAL A  82
 None
 1.29A 6j21A-3tpcA:
undetectable		 6j21A-3tpcA:
21.84
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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		5 PRO A 148
ILE A 183
ILE A 115
HIS A 181
HIS A 175
 None
 1.46A 6j21A-3zs7A:
undetectable		 6j21A-3zs7A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		5 PRO A 110
ILE A 111
ILE A 116
VAL A 326
HIS A 305
 None
None
None
None
NAP  A1403 (-3.7A)
 1.09A 6j21A-4aovA:
undetectable		 6j21A-4aovA:
20.97
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.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PRO A 255
ILE A 279
VAL A 253
ILE A 275
VAL A 286
 None
 1.42A 6j21A-4bgvA:
undetectable		 6j21A-4bgvA:
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.
4cs6 AMINOGLYCOSIDE
ADENYLTRANSFERASE

(Salmonella
enterica) 		PF01909
(NTP_transf_2)
PF13427
(DUF4111) 		5 ILE A  20
VAL A  23
ILE A  48
VAL A  52
PHE A 109
 None
 1.11A 6j21A-4cs6A:
undetectable		 6j21A-4cs6A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 ASN A 591
PRO A 794
ILE A 793
VAL A 796
PHE A 621
 None
 1.47A 6j21A-4d72A:
undetectable		 6j21A-4d72A:
20.99
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.
4dns FAD-LINKED
OXIDOREDUCTASE BG60

(Cynodon
dactylon) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASN A 333
PRO A 317
ILE A 316
VAL A 313
ILE A 370
 None
 1.40A 6j21A-4dnsA:
undetectable		 6j21A-4dnsA:
22.09
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.
4dyo ASPARTYL
AMINOPEPTIDASE

(Homo sapiens) 		PF02127
(Peptidase_M18) 		5 ILE A 337
HIS A 291
VAL A 292
PHE A 461
PHE A 465
 None
 1.35A 6j21A-4dyoA:
undetectable		 6j21A-4dyoA:
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.
4ejs ELONGATOR COMPLEX
PROTEIN 6

(Saccharomyces
cerevisiae) 		no annotation 5 PRO C  99
ILE C  98
HIS C  53
VAL C  50
HIS C  76
 None
 1.28A 6j21A-4ejsC:
undetectable		 6j21A-4ejsC:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ASN B1692
PRO B1520
ILE B1331
VAL B1518
ILE B1358
 None
 1.41A 6j21A-4f92B:
undetectable		 6j21A-4f92B:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 ILE A  59
VAL A  95
ILE A 205
HIS A 158
PHE A 226
 None
 1.49A 6j21A-4fx5A:
undetectable		 6j21A-4fx5A:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 PRO A  32
HIS A  12
VAL A  13
PHE A   5
MET A 444
 None
 1.15A 6j21A-4gr4A:
undetectable		 6j21A-4gr4A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 PRO A  32
HIS A  12
VAL A  13
PHE A   5
MET A 444
 None
 1.17A 6j21A-4gr5A:
undetectable		 6j21A-4gr5A:
21.13
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		5 ILE A 469
ILE A 599
PHE A 405
PHE A 409
MET A 401
 None
 1.35A 6j21A-4j5tA:
undetectable		 6j21A-4j5tA:
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 ASN A  11
ILE A 550
ILE A 515
VAL A 530
PHE A 580
 None
 1.42A 6j21A-4jclA:
undetectable		 6j21A-4jclA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 ASN A  94
PRO A 122
ILE A 121
VAL A 124
VAL A 133
 None
 1.39A 6j21A-4l7zA:
undetectable		 6j21A-4l7zA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzl RESTRICTION
ENDONUCLEASE LPNPI

(Legionella
pneumophila) 		no annotation 5 PRO A 123
ILE A 124
VAL A 146
ILE A  40
PHE A 141
 None
 1.32A 6j21A-4rzlA:
undetectable		 6j21A-4rzlA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tns PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
NIMA-INTERACTING 1

(Homo sapiens) 		PF00639
(Rotamase) 		5 ASN A  90
ILE A  93
VAL A  62
HIS A  64
PHE A 151
 None
 1.45A 6j21A-4tnsA:
undetectable		 6j21A-4tnsA:
13.72
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 5 ASN A 415
ILE A 417
VAL A 385
PHE A 424
PHE A 464
 None
 1.18A 6j21A-4xn3A:
undetectable		 6j21A-4xn3A:
21.74
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 PRO A 829
ILE A1278
VAL A1282
HIS A1105
PHE A 130
 None
 1.29A 6j21A-5a22A:
2.1		 6j21A-5a22A:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7o PROLIFERATING CELL
NUCLEAR ANTIGEN

(Leishmania
donovani) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A  19
VAL A  23
ILE A 274
HIS A  49
VAL A  37
 None
 1.45A 6j21A-5b7oA:
undetectable		 6j21A-5b7oA:
21.62
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.
5j1b CELL WALL ASSEMBLY
REGULATOR SMI1

(Saccharomyces
cerevisiae) 		PF09346
(SMI1_KNR4) 		5 PRO A 239
ILE A 238
VAL A 251
VAL A 130
PHE A 140
 None
 1.38A 6j21A-5j1bA:
undetectable		 6j21A-5j1bA:
22.72
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.
5m8i CUGBP ELAV-LIKE
FAMILY MEMBER 2

(Homo sapiens) 		no annotation 5 ILE A  33
VAL A  75
ILE A  95
VAL A 102
PHE A  52
 None
 1.29A 6j21A-5m8iA:
undetectable		 6j21A-5m8iA:
12.76
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.
5utt SORTASE

(Actinomyces
oris) 		PF04203
(Sortase) 		5 ASN A 142
ILE A 168
VAL A 181
ILE A 114
VAL A 101
 None
 1.41A 6j21A-5uttA:
undetectable		 6j21A-5uttA:
15.84
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.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE G 418
VAL G 417
ILE G 465
HIS G 481
HIS G 486
 None
 1.46A 6j21A-5x6oG:
undetectable		 6j21A-5x6oG:
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		5 VAL A 143
ILE A 166
PHE A 151
PHE A1081
MET A 154
 None
 1.45A 6j21A-5xeiA:
undetectable		 6j21A-5xeiA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xya -

(-) 		no annotation 5 VAL A 769
ILE A 660
VAL A 692
PHE A 712
PHE A 813
 None
 1.33A 6j21A-5xyaA:
0.8		 6j21A-5xyaA:
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.
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ASN A 181
PRO A 183
ILE A 260
VAL A 168
HIS A 174
 None
 1.33A 6j21A-5y2wA:
undetectable		 6j21A-5y2wA:
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ASN A 352
ILE A 521
ILE A 301
VAL A 475
PHE A 524
 None
 1.03A 6j21A-6b6lA:
undetectable		 6j21A-6b6lA:
19.85
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ASN A 352
ILE A 521
VAL A 514
ILE A 301
PHE A 524
 None
 1.18A 6j21A-6b6lA:
undetectable		 6j21A-6b6lA:
19.85
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.
6g42 MINOR CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 ASN A 205
ILE A 202
VAL A 201
ILE A  32
VAL A  49
 None
 1.24A 6j21A-6g42A:
undetectable		 6j21A-6g42A:
undetectable