SIMILAR PATTERNS OF AMINO ACIDS FOR 1XL6_B_SPMB3001_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dyo ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		PF02018
(CBM_4_9) 		4 ALA A  56
TYR A 136
ALA A  28
GLN A 101
 None
 1.12A 1xl6A-1dyoA:
1.0
1xl6B-1dyoA:
0.6		 1xl6A-1dyoA:
18.73
1xl6B-1dyoA:
18.73
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.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ALA B 177
TYR B 178
ALA B 173
TYR B 175
 None
 1.15A 1xl6A-1h4vB:
0.0
1xl6B-1h4vB:
0.0		 1xl6A-1h4vB:
21.33
1xl6B-1h4vB:
21.33
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 ALA A 109
TYR A 111
ALA A 105
TYR A 107
 None
 0.93A 1xl6A-1hkhA:
undetectable
1xl6B-1hkhA:
0.0		 1xl6A-1hkhA:
23.55
1xl6B-1hkhA:
23.55
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 ALA A 182
TYR A 186
ALA A 226
TYR A 232
 None
 1.09A 1xl6A-1js4A:
0.7
1xl6B-1js4A:
3.3		 1xl6A-1js4A:
19.28
1xl6B-1js4A:
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 ALA A 294
TYR A 290
ALA A 239
TYR A 235
 None
 1.06A 1xl6A-1nl3A:
2.6
1xl6B-1nl3A:
undetectable		 1xl6A-1nl3A:
15.60
1xl6B-1nl3A:
15.60
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.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 ALA A  29
ALA A  25
TYR A  27
GLN A 218
 None
 1.06A 1xl6A-1pk9A:
0.0
1xl6B-1pk9A:
0.0		 1xl6A-1pk9A:
20.20
1xl6B-1pk9A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryq DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
E''

(Pyrococcus
furiosus) 		PF06093
(Spt4) 		4 ALA A   5
TYR A  11
ALA A  57
TYR A  56
 None
 1.10A 1xl6A-1ryqA:
undetectable
1xl6B-1ryqA:
undetectable		 1xl6A-1ryqA:
11.76
1xl6B-1ryqA:
11.76
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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		4 ALA A  96
TYR A  98
ALA A  92
GLN A  67
 None
 0.97A 1xl6A-1sbzA:
undetectable
1xl6B-1sbzA:
undetectable		 1xl6A-1sbzA:
20.98
1xl6B-1sbzA:
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ALA A  81
ALA A  52
TYR A  76
GLN A 103
 None
 1.06A 1xl6A-1smkA:
0.0
1xl6B-1smkA:
0.0		 1xl6A-1smkA:
22.69
1xl6B-1smkA:
22.69
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.
1vzm OSTEOCALCIN

(Argyrosomus
regius) 		no annotation 4 ALA A  38
TYR A  40
ALA A  34
TYR A  36
 None
 1.06A 1xl6A-1vzmA:
undetectable
1xl6B-1vzmA:
undetectable		 1xl6A-1vzmA:
9.22
1xl6B-1vzmA:
9.22
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		4 ALA A 585
TYR A 586
TYR A 583
GLN A 525
 None
 1.14A 1xl6A-1wacA:
0.0
1xl6B-1wacA:
undetectable		 1xl6A-1wacA:
19.90
1xl6B-1wacA:
19.90
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ALA A 349
ALA A 345
TYR A 347
GLN A 153
 None
 1.10A 1xl6A-1x9eA:
undetectable
1xl6B-1x9eA:
undetectable		 1xl6A-1x9eA:
23.21
1xl6B-1x9eA:
23.21
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.
2a1r POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Homo sapiens) 		PF01424
(R3H)
PF04857
(CAF1) 		4 ALA A 383
TYR A 384
ALA A 379
TYR A 381
 None
 1.09A 1xl6A-2a1rA:
undetectable
1xl6B-2a1rA:
undetectable		 1xl6A-2a1rA:
19.87
1xl6B-2a1rA:
19.87
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 ALA A 201
TYR A 203
ALA A 191
TYR A 199
 None
 1.03A 1xl6A-2acvA:
undetectable
1xl6B-2acvA:
undetectable		 1xl6A-2acvA:
20.43
1xl6B-2acvA:
20.43
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 ALA A1189
ALA A1238
TYR A1234
GLN A1269
 None
 1.12A 1xl6A-2b39A:
6.4
1xl6B-2b39A:
6.1		 1xl6A-2b39A:
10.64
1xl6B-2b39A:
10.64
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		4 ALA A  70
TYR A  71
ALA A  66
TYR A  68
 None
 1.11A 1xl6A-2cuyA:
undetectable
1xl6B-2cuyA:
undetectable		 1xl6A-2cuyA:
21.54
1xl6B-2cuyA:
21.54
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		4 ALA A 289
TYR A  32
ALA A 274
GLN A 169
 None
 1.04A 1xl6A-2eguA:
undetectable
1xl6B-2eguA:
undetectable		 1xl6A-2eguA:
23.05
1xl6B-2eguA:
23.05
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ALA A 700
ALA A 971
TYR A 813
GLN A 184
 None
 1.14A 1xl6A-2fgeA:
undetectable
1xl6B-2fgeA:
undetectable		 1xl6A-2fgeA:
15.14
1xl6B-2fgeA:
15.14
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.
2gki NUCLEASE

(Mus musculus) 		PF07686
(V-set) 		4 ALA A 122
TYR A 123
ALA A 128
TYR A 127
 None
 0.67A 1xl6A-2gkiA:
2.8
1xl6B-2gkiA:
2.7		 1xl6A-2gkiA:
19.88
1xl6B-2gkiA:
19.88
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.
2hms YUAA PROTEIN

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		4 ALA A  49
TYR A  48
ALA A  52
TYR A  45
 None
 1.07A 1xl6A-2hmsA:
undetectable
1xl6B-2hmsA:
undetectable		 1xl6A-2hmsA:
17.94
1xl6B-2hmsA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lct PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00017
(SH2) 		4 ALA A 723
ALA A 734
TYR A 727
GLN A 697
 None
 1.09A 1xl6A-2lctA:
undetectable
1xl6B-2lctA:
undetectable		 1xl6A-2lctA:
15.12
1xl6B-2lctA:
15.12
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.
2nli LACTATE OXIDASE

(Aerococcus
viridans) 		PF01070
(FMN_dh) 		4 ALA A 148
TYR A 146
ALA A 217
GLN A 269
 None
 1.15A 1xl6A-2nliA:
undetectable
1xl6B-2nliA:
undetectable		 1xl6A-2nliA:
21.15
1xl6B-2nliA:
21.15
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.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		4 ALA A 233
TYR A 237
ALA A 123
GLN A 473
 None
 0.83A 1xl6A-2nyfA:
2.5
1xl6B-2nyfA:
3.8		 1xl6A-2nyfA:
21.95
1xl6B-2nyfA:
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ALA A 101
TYR A 102
TYR A 264
GLN A  93
 None
S4M  A 501 (-4.9A)
None
S4M  A 501 (-4.1A)
 0.97A 1xl6A-2pt6A:
undetectable
1xl6B-2pt6A:
undetectable		 1xl6A-2pt6A:
18.31
1xl6B-2pt6A:
18.31
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.
2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13343
(SBP_bac_6) 		4 ALA A  31
ALA A  56
TYR A  27
GLN A 243
 None
None
TPS  A 400 (-4.0A)
TPS  A 400 ( 4.7A)
 1.09A 1xl6A-2qryA:
undetectable
1xl6B-2qryA:
undetectable		 1xl6A-2qryA:
21.01
1xl6B-2qryA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w5o ALPHA-L-ARABINOFURAN
OSIDASE

(Fusarium
graminearum) 		no annotation 4 ALA A 356
TYR A  44
ALA A 336
TYR A 337
 None
AHR  A 501 ( 4.8A)
None
None
 1.06A 1xl6A-2w5oA:
undetectable
1xl6B-2w5oA:
undetectable		 1xl6A-2w5oA:
19.78
1xl6B-2w5oA:
19.78
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		4 ALA A 156
ALA A 104
TYR A 139
GLN A 128
 None
 1.06A 1xl6A-2w6dA:
2.5
1xl6B-2w6dA:
3.2		 1xl6A-2w6dA:
17.70
1xl6B-2w6dA:
17.70
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.
2w9p MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		4 ALA A  23
TYR A  27
ALA A  71
TYR A  69
 None
 1.10A 1xl6A-2w9pA:
undetectable
1xl6B-2w9pA:
undetectable		 1xl6A-2w9pA:
13.45
1xl6B-2w9pA:
13.45
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.
2w9p MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		4 ALA A  71
TYR A  69
ALA A  23
TYR A  27
 None
 1.06A 1xl6A-2w9pA:
undetectable
1xl6B-2w9pA:
undetectable		 1xl6A-2w9pA:
13.45
1xl6B-2w9pA:
13.45
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.
2wse PHOTOSYSTEM I
REACTION CENTER
SUBUNIT II,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF02531
(PsaD) 		4 ALA D  40
ALA D  78
TYR D  46
GLN D 110
 None
 1.14A 1xl6A-2wseD:
undetectable
1xl6B-2wseD:
undetectable		 1xl6A-2wseD:
23.29
1xl6B-2wseD:
23.29
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 ALA A 113
ALA A 165
TYR A 161
GLN A 122
 None
ZN  A 301 ( 4.6A)
None
None
 1.02A 1xl6A-3c37A:
undetectable
1xl6B-3c37A:
undetectable		 1xl6A-3c37A:
21.91
1xl6B-3c37A:
21.91
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.
3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azotobacter
vinelandii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  83
TYR A  85
ALA A  13
TYR A 394
 None
 0.98A 1xl6A-3ekgA:
undetectable
1xl6B-3ekgA:
undetectable		 1xl6A-3ekgA:
23.61
1xl6B-3ekgA:
23.61
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.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		4 ALA A 128
ALA A 132
TYR A 131
GLN A  76
 None
 1.09A 1xl6A-3f0nA:
undetectable
1xl6B-3f0nA:
undetectable		 1xl6A-3f0nA:
22.51
1xl6B-3f0nA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8m GNTR-FAMILY PROTEIN
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF00392
(GntR)
PF07702
(UTRA) 		4 ALA A 165
TYR A 164
ALA A 161
GLN A  78
 None
 0.96A 1xl6A-3f8mA:
undetectable
1xl6B-3f8mA:
undetectable		 1xl6A-3f8mA:
21.86
1xl6B-3f8mA:
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 4 ALA A 105
TYR A 108
ALA A 101
GLN A  83
 None
 1.13A 1xl6A-3gjyA:
undetectable
1xl6B-3gjyA:
undetectable		 1xl6A-3gjyA:
22.95
1xl6B-3gjyA:
22.95
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ALA A 432
TYR A 431
ALA A 428
TYR A 429
 None
 1.02A 1xl6A-3gzyA:
undetectable
1xl6B-3gzyA:
undetectable		 1xl6A-3gzyA:
23.08
1xl6B-3gzyA:
23.08
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ALA A 500
TYR A 501
ALA A 496
TYR A 498
 None
 1.13A 1xl6A-3i8bA:
undetectable
1xl6B-3i8bA:
undetectable		 1xl6A-3i8bA:
20.08
1xl6B-3i8bA:
20.08
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.
3l42 PEREGRIN

(Homo sapiens) 		PF00855
(PWWP) 		4 ALA A1091
TYR A1096
ALA A1101
TYR A1099
 None
 1.12A 1xl6A-3l42A:
undetectable
1xl6B-3l42A:
undetectable		 1xl6A-3l42A:
16.22
1xl6B-3l42A:
16.22
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		4 ALA A 197
TYR A 205
ALA A 137
TYR A 141
 None
 1.03A 1xl6A-3m1uA:
undetectable
1xl6B-3m1uA:
undetectable		 1xl6A-3m1uA:
21.22
1xl6B-3m1uA:
21.22
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 4 ALA A 408
TYR A 406
ALA A 398
TYR A 399
 None
 0.93A 1xl6A-3nlcA:
undetectable
1xl6B-3nlcA:
undetectable		 1xl6A-3nlcA:
22.45
1xl6B-3nlcA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 TYR A 280
ALA A 242
TYR A 246
GLN A 132
 None
 1.10A 1xl6A-3oeeA:
undetectable
1xl6B-3oeeA:
undetectable		 1xl6A-3oeeA:
19.42
1xl6B-3oeeA:
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.
3pwv MHC CLASS I ANTIGEN

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ALA A  70
TYR A  66
ALA A  10
TYR A   8
 None
 1.02A 1xl6A-3pwvA:
3.1
1xl6B-3pwvA:
3.3		 1xl6A-3pwvA:
22.36
1xl6B-3pwvA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qz5 CO-TYPE NITRILE
HYDRATASE ALPHA
SUBUNIT

(Pseudomonas
putida) 		PF02979
(NHase_alpha) 		4 ALA A 132
TYR A 135
ALA A 128
TYR A 130
 GOL  A 212 ( 3.8A)
None
None
None
 0.95A 1xl6A-3qz5A:
undetectable
1xl6B-3qz5A:
undetectable		 1xl6A-3qz5A:
23.29
1xl6B-3qz5A:
23.29
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.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE

(Klebsiella
pneumoniae) 		PF05035
(DGOK) 		4 ALA A   0
ALA A 291
TYR A   5
GLN A 280
 None
 1.12A 1xl6A-3r1xA:
undetectable
1xl6B-3r1xA:
undetectable		 1xl6A-3r1xA:
22.87
1xl6B-3r1xA:
22.87
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.
3s6w TUDOR
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00567
(TUDOR) 		4 ALA A 564
TYR A 566
ALA A 575
TYR A 573
 None
IPA  A 609 (-3.9A)
None
IPA  A 609 (-4.0A)
 1.07A 1xl6A-3s6wA:
undetectable
1xl6B-3s6wA:
undetectable		 1xl6A-3s6wA:
11.53
1xl6B-3s6wA:
11.53
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		4 ALA A 205
TYR A 201
ALA A 408
GLN A  53
 None
 1.13A 1xl6A-3tijA:
undetectable
1xl6B-3tijA:
undetectable		 1xl6A-3tijA:
21.04
1xl6B-3tijA:
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.
3ufx SUCCINYL-COA
SYNTHETASE BETA
SUBUNIT

(Thermus
aquaticus) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		4 ALA B 178
TYR B 179
ALA B 174
TYR B 176
 None
 1.02A 1xl6A-3ufxB:
undetectable
1xl6B-3ufxB:
undetectable		 1xl6A-3ufxB:
21.03
1xl6B-3ufxB:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		4 ALA A 244
TYR A 246
ALA A 226
TYR A 229
 None
 1.14A 1xl6A-3vasA:
undetectable
1xl6B-3vasA:
undetectable		 1xl6A-3vasA:
21.04
1xl6B-3vasA:
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.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF12341
(Mcl1_mid) 		4 ALA A 865
TYR A 827
ALA A 861
TYR A 862
 None
 1.06A 1xl6A-4c95A:
undetectable
1xl6B-4c95A:
undetectable		 1xl6A-4c95A:
20.28
1xl6B-4c95A:
20.28
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.
4dim PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Anaerococcus
prevotii) 		PF01071
(GARS_A) 		4 ALA A 299
TYR A 295
ALA A  73
GLN A 196
 None
 0.96A 1xl6A-4dimA:
undetectable
1xl6B-4dimA:
undetectable		 1xl6A-4dimA:
19.52
1xl6B-4dimA:
19.52
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.
4ep5 CROSSOVER JUNCTION
ENDODEOXYRIBONUCLEAS
E RUVC

(Thermus
thermophilus) 		PF02075
(RuvC) 		4 ALA A 155
TYR A 157
ALA A 151
TYR A 105
 None
 1.14A 1xl6A-4ep5A:
undetectable
1xl6B-4ep5A:
undetectable		 1xl6A-4ep5A:
20.00
1xl6B-4ep5A:
20.00
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.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 ALA B  59
ALA B  56
TYR B  57
GLN B 437
 None
 1.08A 1xl6A-4fhnB:
undetectable
1xl6B-4fhnB:
undetectable		 1xl6A-4fhnB:
14.70
1xl6B-4fhnB:
14.70
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.
4fin ETTA (YJJK) ABCF
FAMILY PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF12848
(ABC_tran_Xtn) 		4 ALA A 109
TYR A 108
ALA A 112
TYR A 111
 None
 0.99A 1xl6A-4finA:
undetectable
1xl6B-4finA:
undetectable		 1xl6A-4finA:
18.13
1xl6B-4finA:
18.13
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.
4hz4 GLUTATHIONE-S-TRANSF
ERASE

(Actinobacillus
pleuropneumoniae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ALA A  93
TYR A  97
ALA A  88
TYR A  94
 None
 1.13A 1xl6A-4hz4A:
undetectable
1xl6B-4hz4A:
undetectable		 1xl6A-4hz4A:
23.32
1xl6B-4hz4A:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		4 ALA A 504
TYR A 506
ALA A 500
TYR A 497
 None
 1.07A 1xl6A-4i96A:
undetectable
1xl6B-4i96A:
undetectable		 1xl6A-4i96A:
23.82
1xl6B-4i96A:
23.82
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  35
TYR A  10
ALA A 113
TYR A  36
 None
 1.14A 1xl6A-4ip4A:
undetectable
1xl6B-4ip4A:
undetectable		 1xl6A-4ip4A:
21.95
1xl6B-4ip4A:
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ALA A 314
TYR A 317
ALA A  71
GLN A 410
 None
 1.12A 1xl6A-4iuwA:
undetectable
1xl6B-4iuwA:
undetectable		 1xl6A-4iuwA:
18.62
1xl6B-4iuwA:
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.
4j91 KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 ALA A  49
TYR A  48
ALA A  52
TYR A  45
 None
 1.02A 1xl6A-4j91A:
undetectable
1xl6B-4j91A:
undetectable		 1xl6A-4j91A:
21.79
1xl6B-4j91A:
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.
4jqo ORNITHINE
CARBAMOYLTRANSFERASE

(Vibrio
vulnificus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ALA A 161
TYR A 162
TYR A 231
GLN A 138
 None
None
None
CIR  A 402 (-3.6A)
 1.15A 1xl6A-4jqoA:
undetectable
1xl6B-4jqoA:
undetectable		 1xl6A-4jqoA:
20.88
1xl6B-4jqoA:
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.
4kly BLUE-LIGHT ABSORBING
PROTEORHODOPSIN

(gamma
proteobacterium
'Hot 75m4') 		PF01036
(Bac_rhodopsin) 		4 ALA A 206
TYR A 208
ALA A 202
TYR A 204
 None
None
None
RET  A 301 (-4.1A)
 1.07A 1xl6A-4klyA:
undetectable
1xl6B-4klyA:
2.8		 1xl6A-4klyA:
23.87
1xl6B-4klyA:
23.87
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 ALA A 171
TYR A 172
ALA A 215
GLN A  41
 None
 1.14A 1xl6A-4kzkA:
undetectable
1xl6B-4kzkA:
undetectable		 1xl6A-4kzkA:
21.93
1xl6B-4kzkA:
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.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ALA A  71
TYR A  67
ALA A  11
TYR A   9
 None
 1.05A 1xl6A-4lcyA:
3.3
1xl6B-4lcyA:
3.3		 1xl6A-4lcyA:
21.02
1xl6B-4lcyA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		4 ALA A 167
TYR A 165
ALA A 120
TYR A 124
 None
 1.09A 1xl6A-4lziA:
undetectable
1xl6B-4lziA:
undetectable		 1xl6A-4lziA:
20.18
1xl6B-4lziA:
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		4 ALA A 261
TYR A 259
ALA A 214
TYR A 218
 None
 0.96A 1xl6A-4lziA:
undetectable
1xl6B-4lziA:
undetectable		 1xl6A-4lziA:
20.18
1xl6B-4lziA:
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.
4mrp ABC TRANSPORTER
RELATED PROTEIN

(Novosphingobium
aromaticivorans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ALA A  59
TYR A  60
ALA A  86
TYR A  87
 None
 1.06A 1xl6A-4mrpA:
2.4
1xl6B-4mrpA:
3.9		 1xl6A-4mrpA:
20.90
1xl6B-4mrpA:
20.90
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.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		4 ALA E 152
TYR E 155
ALA E 200
GLN E  70
 None
 1.13A 1xl6A-4nhuE:
undetectable
1xl6B-4nhuE:
undetectable		 1xl6A-4nhuE:
21.50
1xl6B-4nhuE:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 4 ALA A 684
TYR A 685
ALA A 680
TYR A 682
 None
 0.99A 1xl6A-4nuzA:
2.3
1xl6B-4nuzA:
2.5		 1xl6A-4nuzA:
15.25
1xl6B-4nuzA:
15.25
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.
4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE

(Geobacillus
stearothermophilus) 		PF16499
(Melibiase_2) 		4 ALA A  52
TYR A  54
ALA A  48
TYR A  50
 None
 1.07A 1xl6A-4nxkA:
undetectable
1xl6B-4nxkA:
undetectable		 1xl6A-4nxkA:
23.27
1xl6B-4nxkA:
23.27
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.
4y9a TRIOSEPHOSPHATE
ISOMERASE

(Streptomyces
coelicolor) 		PF00121
(TIM) 		4 ALA A  72
TYR A  99
ALA A  49
GLN A 218
 None
 1.12A 1xl6A-4y9aA:
undetectable
1xl6B-4y9aA:
undetectable		 1xl6A-4y9aA:
24.29
1xl6B-4y9aA:
24.29
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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		4 ALA B 375
TYR B 373
ALA B 310
TYR B 314
 None
 1.10A 1xl6A-4ydoB:
undetectable
1xl6B-4ydoB:
undetectable		 1xl6A-4ydoB:
18.34
1xl6B-4ydoB:
18.34
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.
4zbt ACETOACETATE
DECARBOXYLASE

(Streptomyces
bingchenggensis) 		PF06314
(ADC) 		4 TYR A  67
ALA A  25
TYR A  24
GLN A 118
 None
None
PYR  A 301 ( 4.2A)
PYR  A 301 (-3.0A)
 0.89A 1xl6A-4zbtA:
undetectable
1xl6B-4zbtA:
undetectable		 1xl6A-4zbtA:
23.68
1xl6B-4zbtA:
23.68
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.
4zq0 14-3-3 PROTEIN

(Giardia
intestinalis) 		PF00244
(14-3-3) 		4 ALA A 150
ALA A 138
TYR A 134
GLN A 110
 None
 1.09A 1xl6A-4zq0A:
2.5
1xl6B-4zq0A:
3.0		 1xl6A-4zq0A:
20.39
1xl6B-4zq0A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aao FAD3210

(synthetic
construct) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 ALA A  55
TYR A  57
ALA A  63
TYR A  59
 None
 1.11A 1xl6A-5aaoA:
undetectable
1xl6B-5aaoA:
undetectable		 1xl6A-5aaoA:
19.80
1xl6B-5aaoA:
19.80
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		4 ALA A  49
TYR A  48
ALA A  52
TYR A  45
 None
 1.05A 1xl6A-5butA:
undetectable
1xl6B-5butA:
undetectable		 1xl6A-5butA:
23.31
1xl6B-5butA:
23.31
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN A,KTR
SYSTEM POTASSIUM
UPTAKE PROTEIN A

(Bacillus
subtilis) 		PF02254
(TrkA_N) 		4 ALA A 191
TYR A 190
ALA A 194
TYR A 187
 None
 1.06A 1xl6A-5butA:
undetectable
1xl6B-5butA:
undetectable		 1xl6A-5butA:
23.31
1xl6B-5butA:
23.31
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.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ALA A 471
TYR A 470
ALA A 485
GLN A 505
 PGE  A 906 ( 4.8A)
None
None
None
 0.98A 1xl6A-5bwdA:
2.4
1xl6B-5bwdA:
undetectable		 1xl6A-5bwdA:
17.35
1xl6B-5bwdA:
17.35
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		4 ALA A 410
TYR A 411
ALA A 318
GLN A 296
 None
1PE  A 705 (-4.5A)
None
None
 1.10A 1xl6A-5cbmA:
undetectable
1xl6B-5cbmA:
undetectable		 1xl6A-5cbmA:
18.72
1xl6B-5cbmA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 ALA A 117
TYR A 118
ALA A 113
TYR A 115
 None
 1.00A 1xl6A-5cxpA:
undetectable
1xl6B-5cxpA:
undetectable		 1xl6A-5cxpA:
20.15
1xl6B-5cxpA:
20.15
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 TYR A 304
ALA A 266
TYR A 270
GLN A 156
 None
 1.12A 1xl6A-5fl7A:
undetectable
1xl6B-5fl7A:
undetectable		 1xl6A-5fl7A:
21.10
1xl6B-5fl7A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		4 ALA A 331
TYR A 329
ALA A 376
TYR A 396
 None
 1.12A 1xl6A-5fnuA:
undetectable
1xl6B-5fnuA:
undetectable		 1xl6A-5fnuA:
21.70
1xl6B-5fnuA:
21.70
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.
5gin C/D BOX METHYLATION
GUIDE
RIBONUCLEOPROTEIN
COMPLEX ANOP56
SUBUNIT
FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin)
PF01798
(Nop) 		5 ALA E 167
TYR A  86
ALA E 163
TYR E 165
GLN E 138
 None
 1.48A 1xl6A-5ginE:
undetectable
1xl6B-5ginE:
undetectable		 1xl6A-5ginE:
21.04
1xl6B-5ginE:
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 ALA B 781
ALA B 785
TYR B 783
GLN B 896
 None
 0.99A 1xl6A-5gztB:
4.7
1xl6B-5gztB:
4.5		 1xl6A-5gztB:
12.96
1xl6B-5gztB:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		4 ALA C 112
TYR C 113
ALA C 126
TYR C 164
 None
GOL  C 302 (-4.1A)
None
None
 1.02A 1xl6A-5h35C:
undetectable
1xl6B-5h35C:
2.5		 1xl6A-5h35C:
22.88
1xl6B-5h35C:
22.88
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.
5iw4 NADH PYROPHOSPHATASE

(Escherichia
coli) 		PF00293
(NUDIX)
PF09297
(zf-NADH-PPase) 		4 ALA A 254
TYR A 256
ALA A 250
TYR A 228
 None
 1.06A 1xl6A-5iw4A:
undetectable
1xl6B-5iw4A:
undetectable		 1xl6A-5iw4A:
21.74
1xl6B-5iw4A:
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.
5kuy DESIGNED INFLUENZA
INHIBITOR HSB.2A

(synthetic
construct) 		PF00031
(Cystatin) 		4 ALA G  68
TYR G  66
ALA G  23
TYR G  27
 None
 0.93A 1xl6A-5kuyG:
undetectable
1xl6B-5kuyG:
undetectable		 1xl6A-5kuyG:
16.89
1xl6B-5kuyG:
16.89
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 4 ALA B 233
TYR B 237
ALA B 123
GLN B 473
 None
 0.93A 1xl6A-5ltmB:
0.9
1xl6B-5ltmB:
1.4		 1xl6A-5ltmB:
20.44
1xl6B-5ltmB:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5naq BETA-GALACTOSIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		4 ALA A 239
TYR A 321
ALA A 235
GLN A 314
 None
 1.14A 1xl6A-5naqA:
undetectable
1xl6B-5naqA:
undetectable		 1xl6A-5naqA:
22.02
1xl6B-5naqA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 371
TYR A 373
ALA A 367
TYR A 369
 None
 1.15A 1xl6A-5nd5A:
undetectable
1xl6B-5nd5A:
undetectable		 1xl6A-5nd5A:
18.73
1xl6B-5nd5A:
18.73
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.
5tum TETRACYCLINE
DESTRUCTASE TET(56)

(Legionella
longbeachae) 		PF01494
(FAD_binding_3) 		4 ALA A 313
ALA A 309
TYR A 310
GLN A 385
 None
 0.83A 1xl6A-5tumA:
undetectable
1xl6B-5tumA:
undetectable		 1xl6A-5tumA:
20.38
1xl6B-5tumA:
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 TYR A 315
ALA A 324
TYR A 328
GLN A 311
 None
 1.16A 1xl6A-5u47A:
undetectable
1xl6B-5u47A:
undetectable		 1xl6A-5u47A:
18.07
1xl6B-5u47A:
18.07
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.
5uiw C-C CHEMOKINE
RECEPTOR TYPE
5,RUBREDOXIN CHIMERA
C-C MOTIF CHEMOKINE
5

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00048
(IL8)
PF00301
(Rubredoxin) 		4 ALA A  91
ALA A  87
TYR A  89
GLN B   8
 OLC  A1106 ( 4.2A)
OLC  A1106 ( 4.4A)
None
None
 1.13A 1xl6A-5uiwA:
undetectable
1xl6B-5uiwA:
undetectable		 1xl6A-5uiwA:
20.89
1xl6B-5uiwA:
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.
5v4r LA-RELATED PROTEIN 1

(Homo sapiens) 		no annotation 4 ALA A 862
TYR A 872
ALA A 866
GLN A 833
 None
 1.07A 1xl6A-5v4rA:
undetectable
1xl6B-5v4rA:
undetectable		 1xl6A-5v4rA:
17.86
1xl6B-5v4rA:
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		4 ALA A 450
TYR A 427
ALA A 453
TYR A 429
 None
 1.02A 1xl6A-5wx1A:
undetectable
1xl6B-5wx1A:
undetectable		 1xl6A-5wx1A:
17.30
1xl6B-5wx1A:
17.30
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 4 ALA A 104
TYR A 102
ALA A 107
GLN A  46
 None
 0.81A 1xl6A-5wzeA:
undetectable
1xl6B-5wzeA:
undetectable		 1xl6A-5wzeA:
17.05
1xl6B-5wzeA:
17.05
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 4 ALA A 235
TYR A 239
ALA A 142
GLN A 244
 None
 1.15A 1xl6A-5x9wA:
undetectable
1xl6B-5x9wA:
undetectable		 1xl6A-5x9wA:
17.73
1xl6B-5x9wA:
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.
5xyi 40S RIBOSOMAL
PROTEIN S21
40S RIBOSOMAL
PROTEIN SA

(Trichomonas
vaginalis) 		PF00318
(Ribosomal_S2)
PF01249
(Ribosomal_S21e) 		4 ALA V  30
TYR A 137
ALA V  60
GLN A 130
 None
G  21104 ( 4.6A)
G  2 891 ( 3.6A)
A  21131 ( 3.6A)
 1.00A 1xl6A-5xyiV:
undetectable
1xl6B-5xyiV:
undetectable		 1xl6A-5xyiV:
13.95
1xl6B-5xyiV:
13.95
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 ALA A  75
TYR A  76
ALA A  71
GLN A 168
 None
 1.06A 1xl6A-5za2A:
undetectable
1xl6B-5za2A:
undetectable		 1xl6A-5za2A:
16.03
1xl6B-5za2A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aoj CEG4

(Legionella
pneumophila) 		no annotation 4 ALA A  60
TYR A  62
ALA A  56
TYR A 116
 None
 1.15A 1xl6A-6aojA:
undetectable
1xl6B-6aojA:
undetectable		 1xl6A-6aojA:
14.43
1xl6B-6aojA:
14.43
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Streptococcus
pyogenes;
Vibrio cholerae) 		no annotation 4 ALA A 684
TYR A 685
ALA A 680
TYR A 682
 None
 1.01A 1xl6A-6en3A:
2.2
1xl6B-6en3A:
undetectable		 1xl6A-6en3A:
10.96
1xl6B-6en3A:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fmq -

(-) 		no annotation 4 ALA A 331
TYR A 329
ALA A 376
TYR A 396
 None
 1.11A 1xl6A-6fmqA:
undetectable
1xl6B-6fmqA:
undetectable		 1xl6A-6fmqA:
undetectable
1xl6B-6fmqA:
undetectable