SIMILAR PATTERNS OF AMINO ACIDS FOR 2WLK_B_SPMB1302

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.
1ais PROTEIN
(TRANSCRIPTION
INITIATION FACTOR
IIB)


(Pyrococcus
woesei)
PF00382
(TFIIB)
4 ALA B1254
TYR B1286
ALA B1258
TYR B1256
None
1.16A 2wlkA-1aisB:
undetectable
2wlkB-1aisB:
undetectable
2wlkA-1aisB:
21.59
2wlkB-1aisB:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1awj ITK

(Mus musculus)
PF00018
(SH3_1)
4 ALA A  70
TYR A  74
ALA A  27
TYR A  29
None
1.22A 2wlkA-1awjA:
undetectable
2wlkB-1awjA:
undetectable
2wlkA-1awjA:
12.37
2wlkB-1awjA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cv8 STAPHOPAIN

(Staphylococcus
aureus)
PF05543
(Peptidase_C47)
4 ALA A  35
TYR A  37
ALA A  31
TYR A  42
None
1.18A 2wlkA-1cv8A:
undetectable
2wlkB-1cv8A:
undetectable
2wlkA-1cv8A:
17.28
2wlkB-1cv8A:
17.28
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.
1g3p MINOR COAT PROTEIN

(Escherichia
virus M13)
PF05357
(Phage_Coat_A)
4 ALA A 175
TYR A 110
ALA A 179
TYR A 177
None
1.28A 2wlkA-1g3pA:
undetectable
2wlkB-1g3pA:
undetectable
2wlkA-1g3pA:
20.81
2wlkB-1g3pA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE


(Escherichia
coli)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
4 ALA O  41
TYR O  42
ALA O  37
TYR O  39
None
1.26A 2wlkA-1gaeO:
1.4
2wlkB-1gaeO:
0.0
2wlkA-1gaeO:
22.13
2wlkB-1gaeO:
22.13
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.
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
1.14A 2wlkA-1h4vB:
0.0
2wlkB-1h4vB:
0.0
2wlkA-1h4vB:
21.33
2wlkB-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.
1hcu ALPHA-1,2-MANNOSIDAS
E


(Trichoderma
reesei)
PF01532
(Glyco_hydro_47)
4 ALA A 461
TYR A 460
ALA A 414
TYR A 399
None
1.21A 2wlkA-1hcuA:
0.0
2wlkB-1hcuA:
0.0
2wlkA-1hcuA:
19.88
2wlkB-1hcuA:
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.
1hkh GAMMA LACTAMASE

(Microbacterium)
PF00561
(Abhydrolase_1)
4 ALA A 109
TYR A 111
ALA A 105
TYR A 107
None
0.99A 2wlkA-1hkhA:
0.0
2wlkB-1hkhA:
undetectable
2wlkA-1hkhA:
23.55
2wlkB-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
1.11A 2wlkA-1js4A:
3.5
2wlkB-1js4A:
3.2
2wlkA-1js4A:
19.28
2wlkB-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
1.04A 2wlkA-1nl3A:
3.2
2wlkB-1nl3A:
2.8
2wlkA-1nl3A:
15.60
2wlkB-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.
1ta3 XYLANASE INHIBITOR
PROTEIN I


(Triticum
aestivum)
PF00704
(Glyco_hydro_18)
4 ALA A 241
TYR A 237
ALA A 274
TYR A 273
None
None
None
EDO  B1007 ( 4.9A)
1.25A 2wlkA-1ta3A:
undetectable
2wlkB-1ta3A:
0.0
2wlkA-1ta3A:
20.62
2wlkB-1ta3A:
20.62
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.
1uqw PUTATIVE BINDING
PROTEIN YLIB


(Escherichia
coli)
PF00496
(SBP_bac_5)
4 ALA A 298
TYR A 297
ALA A 396
TYR A 441
None
1.30A 2wlkA-1uqwA:
undetectable
2wlkB-1uqwA:
undetectable
2wlkA-1uqwA:
19.65
2wlkB-1uqwA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 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
1.10A 2wlkA-1vzmA:
undetectable
2wlkB-1vzmA:
undetectable
2wlkA-1vzmA:
9.22
2wlkB-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.
1yr2 PROLYL
OLIGOPEPTIDASE


(Novosphingobium
capsulatum)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 ALA A  42
TYR A  40
ALA A  80
TYR A  84
None
1.20A 2wlkA-1yr2A:
undetectable
2wlkB-1yr2A:
undetectable
2wlkA-1yr2A:
17.25
2wlkB-1yr2A:
17.25
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.
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
1.11A 2wlkA-2a1rA:
undetectable
2wlkB-2a1rA:
undetectable
2wlkA-2a1rA:
19.87
2wlkB-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.
2a2o HYPOTHETICAL PROTEIN
BT3146


(Bacteroides
thetaiotaomicron)
no annotation 4 ALA A 146
TYR A 147
ALA A 142
TYR A 144
None
1.15A 2wlkA-2a2oA:
2.0
2wlkB-2a2oA:
2.1
2wlkA-2a2oA:
21.10
2wlkB-2a2oA:
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1


(Medicago
truncatula)
PF00201
(UDPGT)
4 ALA A 201
TYR A 203
ALA A 191
TYR A 199
None
0.99A 2wlkA-2acvA:
undetectable
2wlkB-2acvA:
undetectable
2wlkA-2acvA:
20.43
2wlkB-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.
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
1.12A 2wlkA-2cuyA:
undetectable
2wlkB-2cuyA:
undetectable
2wlkA-2cuyA:
21.54
2wlkB-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.
2gki NUCLEASE

(Mus musculus)
PF07686
(V-set)
4 ALA A 122
TYR A 123
ALA A 128
TYR A 127
None
0.70A 2wlkA-2gkiA:
2.9
2wlkB-2gkiA:
2.5
2wlkA-2gkiA:
19.88
2wlkB-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
1.11A 2wlkA-2hmsA:
undetectable
2wlkB-2hmsA:
undetectable
2wlkA-2hmsA:
17.94
2wlkB-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.
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
1.02A 2wlkA-2w5oA:
undetectable
2wlkB-2w5oA:
undetectable
2wlkA-2w5oA:
19.78
2wlkB-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.
2w9p MULTICYSTATIN

(Solanum
tuberosum)
PF00031
(Cystatin)
4 ALA A  23
TYR A  27
ALA A  71
TYR A  69
None
1.05A 2wlkA-2w9pA:
undetectable
2wlkB-2w9pA:
undetectable
2wlkA-2w9pA:
13.45
2wlkB-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
1.01A 2wlkA-2w9pA:
undetectable
2wlkB-2w9pA:
undetectable
2wlkA-2w9pA:
13.45
2wlkB-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.
3b8l UNCHARACTERIZED
PROTEIN


(Novosphingobium
aromaticivorans)
PF13577
(SnoaL_4)
4 ALA A 125
TYR A  18
ALA A  39
TYR A 128
None
GOL  A 145 (-4.7A)
None
GOL  A 145 (-4.7A)
1.24A 2wlkA-3b8lA:
undetectable
2wlkB-3b8lA:
undetectable
2wlkA-3b8lA:
18.58
2wlkB-3b8lA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN


(Mus musculus)
PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind)
4 ALA A 376
TYR A 377
ALA A 372
TYR A 374
None
1.20A 2wlkA-3d45A:
undetectable
2wlkB-3d45A:
undetectable
2wlkA-3d45A:
20.12
2wlkB-3d45A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum)
PF00128
(Alpha-amylase)
4 ALA A 354
TYR A 356
ALA A 372
TYR A 370
None
1.21A 2wlkA-3dhuA:
undetectable
2wlkB-3dhuA:
undetectable
2wlkA-3dhuA:
21.11
2wlkB-3dhuA:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1


(Homo sapiens)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
4 ALA A 681
TYR A 682
ALA A 677
TYR A 679
None
1.18A 2wlkA-3dwbA:
undetectable
2wlkB-3dwbA:
undetectable
2wlkA-3dwbA:
19.63
2wlkB-3dwbA:
19.63
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE


(Arabidopsis
thaliana)
PF00155
(Aminotran_1_2)
4 ALA A 241
TYR A 243
ALA A 266
TYR A 240
GOL  A 436 ( 3.7A)
None
GOL  A 436 (-3.4A)
PLP  A 433 (-4.5A)
1.29A 2wlkA-3ei8A:
undetectable
2wlkB-3ei8A:
undetectable
2wlkA-3ei8A:
22.73
2wlkB-3ei8A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.01A 2wlkA-3ekgA:
undetectable
2wlkB-3ekgA:
undetectable
2wlkA-3ekgA:
23.61
2wlkB-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.
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
1.16A 2wlkA-3i8bA:
undetectable
2wlkB-3i8bA:
undetectable
2wlkA-3i8bA:
20.08
2wlkB-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
1.13A 2wlkA-3l42A:
undetectable
2wlkB-3l42A:
undetectable
2wlkA-3l42A:
16.22
2wlkB-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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE


(Pseudoalteromonas
haloplanktis)
PF00756
(Esterase)
4 ALA A 153
TYR A  49
ALA A 167
TYR A 164
None
1.25A 2wlkA-3ls2A:
undetectable
2wlkB-3ls2A:
undetectable
2wlkA-3ls2A:
19.57
2wlkB-3ls2A:
19.57
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.
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
1.00A 2wlkA-3m1uA:
undetectable
2wlkB-3m1uA:
undetectable
2wlkA-3m1uA:
21.22
2wlkB-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.
3my2 LIPOPOLYSACCHARIDE
EXPORT SYSTEM
PROTEIN LPTC


(Escherichia
coli)
PF06835
(LptC)
4 ALA A 134
TYR A 110
ALA A  98
TYR A 112
None
1.19A 2wlkA-3my2A:
undetectable
2wlkB-3my2A:
undetectable
2wlkA-3my2A:
19.08
2wlkB-3my2A:
19.08
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956


(Vibrio
parahaemolyticus)
no annotation 4 ALA A 408
TYR A 406
ALA A 398
TYR A 399
None
0.88A 2wlkA-3nlcA:
undetectable
2wlkB-3nlcA:
undetectable
2wlkA-3nlcA:
22.45
2wlkB-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.
3pnw TUDOR
DOMAIN-CONTAINING
PROTEIN 3


(Homo sapiens)
PF00567
(TUDOR)
4 ALA C 564
TYR C 566
ALA C 575
TYR C 573
None
UNX  C1855 ( 4.1A)
None
None
1.19A 2wlkA-3pnwC:
undetectable
2wlkB-3pnwC:
undetectable
2wlkA-3pnwC:
12.76
2wlkB-3pnwC:
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.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1


(Bacteroides
thetaiotaomicron)
PF08522
(DUF1735)
4 ALA A 378
TYR A 359
ALA A 383
TYR A 385
None
1.26A 2wlkA-3pohA:
undetectable
2wlkB-3pohA:
undetectable
2wlkA-3pohA:
20.04
2wlkB-3pohA:
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.
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
0.96A 2wlkA-3pwvA:
3.4
2wlkB-3pwvA:
3.1
2wlkA-3pwvA:
22.36
2wlkB-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.
3qky OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFIO


(Rhodothermus
marinus)
PF13525
(YfiO)
4 ALA A  41
TYR A  45
ALA A  73
TYR A  76
None
1.25A 2wlkA-3qkyA:
undetectable
2wlkB-3qkyA:
undetectable
2wlkA-3qkyA:
21.84
2wlkB-3qkyA:
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.
3qqc DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
E''


(Pyrococcus
furiosus)
PF06093
(Spt4)
4 ALA E  57
TYR E  56
ALA E   5
TYR E  11
None
1.27A 2wlkA-3qqcE:
undetectable
2wlkB-3qqcE:
undetectable
2wlkA-3qqcE:
10.77
2wlkB-3qqcE:
10.77
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.
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 2wlkA-3qz5A:
undetectable
2wlkB-3qz5A:
undetectable
2wlkA-3qz5A:
23.29
2wlkB-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.
3rkl STIV-A81

(Sulfolobus
turreted
icosahedral
virus 1)
no annotation 4 ALA A  65
TYR A  64
ALA A  69
TYR A  67
None
1.26A 2wlkA-3rklA:
2.9
2wlkB-3rklA:
2.6
2wlkA-3rklA:
14.85
2wlkB-3rklA:
14.85
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.
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)
1.10A 2wlkA-3s6wA:
undetectable
2wlkB-3s6wA:
undetectable
2wlkA-3s6wA:
11.53
2wlkB-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.
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
1.05A 2wlkA-3ufxB:
undetectable
2wlkB-3ufxB:
undetectable
2wlkA-3ufxB:
21.03
2wlkB-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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 ALA A 335
TYR A 337
ALA A 331
TYR A 333
None
1.22A 2wlkA-3uk1A:
undetectable
2wlkB-3uk1A:
undetectable
2wlkA-3uk1A:
18.17
2wlkB-3uk1A:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vas PUTATIVE ADENOSINE
KINASE


(Schistosoma
mansoni)
PF00294
(PfkB)
4 ALA A 244
TYR A 246
ALA A 226
TYR A 229
None
1.11A 2wlkA-3vasA:
undetectable
2wlkB-3vasA:
undetectable
2wlkA-3vasA:
21.04
2wlkB-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.
3zoy CYTOCHROME C-552

(Nitrosomonas
europaea)
PF00034
(Cytochrom_C)
4 ALA A  39
TYR A  32
ALA A  43
TYR A  41
None
HEC  A1082 (-4.4A)
None
HEC  A1082 (-4.5A)
1.25A 2wlkA-3zoyA:
undetectable
2wlkB-3zoyA:
undetectable
2wlkA-3zoyA:
13.15
2wlkB-3zoyA:
13.15
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.
4by9 NOP5/NOP56 RELATED
PROTEIN


(Pyrococcus
furiosus)
PF01798
(Nop)
4 ALA C 225
TYR C 153
ALA C 172
TYR C 170
None
1.26A 2wlkA-4by9C:
3.6
2wlkB-4by9C:
3.4
2wlkA-4by9C:
20.41
2wlkB-4by9C:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2wlkA-4c95A:
undetectable
2wlkB-4c95A:
undetectable
2wlkA-4c95A:
20.28
2wlkB-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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 ALA A 368
TYR A 379
ALA A 304
TYR A 332
None
None
None
GOL  A1580 ( 4.7A)
1.30A 2wlkA-4cj0A:
undetectable
2wlkB-4cj0A:
undetectable
2wlkA-4cj0A:
18.60
2wlkB-4cj0A:
18.60
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Rhodopseudomonas
palustris)
PF13458
(Peripla_BP_6)
4 ALA A 265
TYR A 241
ALA A 146
TYR A 150
None
1.24A 2wlkA-4dqdA:
undetectable
2wlkB-4dqdA:
undetectable
2wlkA-4dqdA:
21.20
2wlkB-4dqdA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ep5 CROSSOVER JUNCTION
ENDODEOXYRIBONUCLEAS
E RUVC


(Thermus
thermophilus)
PF02075
(RuvC)
4 ALA A 155
TYR A 157
ALA A 151
TYR A 105
None
1.18A 2wlkA-4ep5A:
undetectable
2wlkB-4ep5A:
undetectable
2wlkA-4ep5A:
20.00
2wlkB-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.
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
1.00A 2wlkA-4finA:
undetectable
2wlkB-4finA:
undetectable
2wlkA-4finA:
18.13
2wlkB-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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE


(Bacillus
anthracis)
PF07992
(Pyr_redox_2)
4 ALA C   7
TYR C  76
ALA C 103
TYR C 101
None
1.25A 2wlkA-4fk1C:
undetectable
2wlkB-4fk1C:
undetectable
2wlkA-4fk1C:
23.45
2wlkB-4fk1C:
23.45
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.
4fnq ALPHA-GALACTOSIDASE
AGAB


(Geobacillus
stearothermophilus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
4 ALA A 570
TYR A 566
ALA A 320
TYR A 315
None
1.32A 2wlkA-4fnqA:
undetectable
2wlkB-4fnqA:
undetectable
2wlkA-4fnqA:
17.12
2wlkB-4fnqA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwv PECTATE LYASE/AMB
ALLERGEN


(Acidovorax
citrulli)
PF00544
(Pec_lyase_C)
4 ALA A 141
TYR A 139
ALA A 147
TYR A 143
None
1.26A 2wlkA-4hwvA:
undetectable
2wlkB-4hwvA:
undetectable
2wlkA-4hwvA:
20.71
2wlkB-4hwvA:
20.71
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.
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 2wlkA-4hz4A:
undetectable
2wlkB-4hz4A:
undetectable
2wlkA-4hz4A:
23.32
2wlkB-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
1.09A 2wlkA-4i96A:
undetectable
2wlkB-4i96A:
undetectable
2wlkA-4i96A:
23.82
2wlkB-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.
4j20 CYTOCHROME C-555

(Chlorobaculum
tepidum)
PF13442
(Cytochrome_CBB3)
4 ALA A  10
TYR A  12
ALA A   7
TYR A  82
None
1.23A 2wlkA-4j20A:
undetectable
2wlkB-4j20A:
undetectable
2wlkA-4j20A:
12.79
2wlkB-4j20A:
12.79
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.
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
1.08A 2wlkA-4j91A:
undetectable
2wlkB-4j91A:
undetectable
2wlkA-4j91A:
21.79
2wlkB-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.
4jer HEMOPHORE HASA

(Yersinia pestis)
PF06438
(HasA)
4 ALA A  12
TYR A  11
ALA A 168
TYR A  14
None
1.24A 2wlkA-4jerA:
undetectable
2wlkB-4jerA:
undetectable
2wlkA-4jerA:
18.48
2wlkB-4jerA:
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.
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)
1.09A 2wlkA-4klyA:
undetectable
2wlkB-4klyA:
2.0
2wlkA-4klyA:
23.87
2wlkB-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.
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
1.00A 2wlkA-4lcyA:
undetectable
2wlkB-4lcyA:
undetectable
2wlkA-4lcyA:
21.02
2wlkB-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.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC


(Trypanosoma
cruzi)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
4 ALA A  48
TYR A  49
ALA A  44
TYR A  46
None
1.24A 2wlkA-4lsmA:
1.4
2wlkB-4lsmA:
1.2
2wlkA-4lsmA:
20.59
2wlkB-4lsmA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 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 120
TYR A 124
ALA A 167
TYR A 165
None
1.24A 2wlkA-4lziA:
undetectable
2wlkB-4lziA:
undetectable
2wlkA-4lziA:
20.18
2wlkB-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 167
TYR A 165
ALA A 120
TYR A 124
None
1.06A 2wlkA-4lziA:
undetectable
2wlkB-4lziA:
undetectable
2wlkA-4lziA:
20.18
2wlkB-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 214
TYR A 218
ALA A 261
TYR A 259
None
1.25A 2wlkA-4lziA:
undetectable
2wlkB-4lziA:
undetectable
2wlkA-4lziA:
20.18
2wlkB-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
0.93A 2wlkA-4lziA:
undetectable
2wlkB-4lziA:
undetectable
2wlkA-4lziA:
20.18
2wlkB-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.
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
1.00A 2wlkA-4nuzA:
2.6
2wlkB-4nuzA:
2.4
2wlkA-4nuzA:
15.25
2wlkB-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
1.08A 2wlkA-4nxkA:
undetectable
2wlkB-4nxkA:
undetectable
2wlkA-4nxkA:
23.27
2wlkB-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.
4u83 ACYL-COA
DEHYDROGENASE


(Brucella
abortus)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 ALA A 258
TYR A 345
ALA A 332
TYR A 262
None
1.31A 2wlkA-4u83A:
2.9
2wlkB-4u83A:
2.7
2wlkA-4u83A:
21.94
2wlkB-4u83A:
21.94
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 ALA A 610
TYR A 622
ALA A 616
TYR A 618
None
1.23A 2wlkA-4xeuA:
undetectable
2wlkB-4xeuA:
undetectable
2wlkA-4xeuA:
16.00
2wlkB-4xeuA:
16.00
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.
4yxz DTOR_9X31L

(synthetic
construct)
no annotation 4 ALA A  17
TYR A  21
ALA A 268
TYR A 269
None
1.31A 2wlkA-4yxzA:
undetectable
2wlkB-4yxzA:
undetectable
2wlkA-4yxzA:
21.82
2wlkB-4yxzA:
21.82
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.
4z0b ANTIBODY HEAVY CHAIN

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 ALA H  49
TYR H  50
ALA H  61
TYR H  59
None
1.24A 2wlkA-4z0bH:
2.5
2wlkB-4z0bH:
2.1
2wlkA-4z0bH:
20.33
2wlkB-4z0bH:
20.33
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.
4zky PYRIDOXAMINE
5-PHOSPHATE OXIDASE


(Mycolicibacterium
smegmatis)
PF01243
(Putative_PNPOx)
4 ALA A 115
TYR A 117
ALA A 111
TYR A 120
None
1.26A 2wlkA-4zkyA:
undetectable
2wlkB-4zkyA:
undetectable
2wlkA-4zkyA:
16.72
2wlkB-4zkyA:
16.72
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.
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 2wlkA-5aaoA:
undetectable
2wlkB-5aaoA:
undetectable
2wlkA-5aaoA:
19.80
2wlkB-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
1.12A 2wlkA-5butA:
undetectable
2wlkB-5butA:
undetectable
2wlkA-5butA:
23.31
2wlkB-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
1.13A 2wlkA-5butA:
undetectable
2wlkB-5butA:
undetectable
2wlkA-5butA:
23.31
2wlkB-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.
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
1.02A 2wlkA-5cxpA:
undetectable
2wlkB-5cxpA:
undetectable
2wlkA-5cxpA:
20.15
2wlkB-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.
5efr BAMA-BAMD FUSION
PROTEIN


(Rhodothermus
marinus)
PF07244
(POTRA)
PF13525
(YfiO)
4 ALA A1041
TYR A1045
ALA A1073
TYR A1076
None
1.18A 2wlkA-5efrA:
undetectable
2wlkB-5efrA:
undetectable
2wlkA-5efrA:
19.53
2wlkB-5efrA:
19.53
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.
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
1.10A 2wlkA-5fnuA:
undetectable
2wlkB-5fnuA:
undetectable
2wlkA-5fnuA:
21.70
2wlkB-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)
4 ALA E 167
TYR A  86
ALA E 163
TYR E 165
None
1.20A 2wlkA-5ginE:
undetectable
2wlkB-5ginE:
undetectable
2wlkA-5ginE:
21.04
2wlkB-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.
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
1.04A 2wlkA-5h35C:
2.3
2wlkB-5h35C:
2.0
2wlkA-5h35C:
22.88
2wlkB-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.
5jpn COMPLEMENT C4-A

(Homo sapiens)
PF01759
(NTR)
PF07677
(A2M_recep)
4 ALA C1484
TYR C1559
ALA C1486
TYR C1525
None
1.27A 2wlkA-5jpnC:
3.3
2wlkB-5jpnC:
3.2
2wlkA-5jpnC:
21.05
2wlkB-5jpnC:
21.05
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.
5kuy DESIGNED INFLUENZA
INHIBITOR HSB.2A


(synthetic
construct)
PF00031
(Cystatin)
4 ALA G  23
TYR G  27
ALA G  68
TYR G  66
None
1.13A 2wlkA-5kuyG:
undetectable
2wlkB-5kuyG:
undetectable
2wlkA-5kuyG:
16.89
2wlkB-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.
5kuy DESIGNED INFLUENZA
INHIBITOR HSB.2A


(synthetic
construct)
PF00031
(Cystatin)
4 ALA G  68
TYR G  66
ALA G  23
TYR G  27
None
0.89A 2wlkA-5kuyG:
undetectable
2wlkB-5kuyG:
undetectable
2wlkA-5kuyG:
16.89
2wlkB-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.
5na7 PUTATIVE
DIPEPTIDYL-PEPTIDASE
III


(Bacteroides
thetaiotaomicron)
no annotation 4 ALA A 506
TYR A 508
ALA A 503
TYR A 504
None
1.30A 2wlkA-5na7A:
undetectable
2wlkB-5na7A:
undetectable
2wlkA-5na7A:
16.76
2wlkB-5na7A:
16.76
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.
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
1.17A 2wlkA-5nd5A:
undetectable
2wlkB-5nd5A:
undetectable
2wlkA-5nd5A:
18.73
2wlkB-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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY


(Thermococcus
kodakarensis)
no annotation 4 ALA A 583
TYR A 581
ALA A 194
TYR A 585
None
1.27A 2wlkA-5ot1A:
3.6
2wlkB-5ot1A:
3.3
2wlkA-5ot1A:
16.42
2wlkB-5ot1A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 ALA A 313
TYR A 315
ALA A 309
TYR A 311
None
1.19A 2wlkA-5vrbA:
undetectable
2wlkB-5vrbA:
undetectable
2wlkA-5vrbA:
19.16
2wlkB-5vrbA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.95A 2wlkA-5wx1A:
undetectable
2wlkB-5wx1A:
undetectable
2wlkA-5wx1A:
17.30
2wlkB-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.
5xbf UNCONVENTIONAL
MYOSIN-VIIB


(Homo sapiens)
PF00373
(FERM_M)
PF00784
(MyTH4)
4 ALA A1935
TYR A1939
ALA A1981
TYR A1982
None
1.18A 2wlkA-5xbfA:
undetectable
2wlkB-5xbfA:
undetectable
2wlkA-5xbfA:
19.58
2wlkB-5xbfA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs VP2

(Aquareovirus C)
no annotation 4 ALA 2 955
TYR 2 879
ALA 2 951
TYR 2 953
None
1.31A 2wlkA-5zvs2:
undetectable
2wlkB-5zvs2:
undetectable
2wlkA-5zvs2:
13.47
2wlkB-5zvs2:
13.47
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.
6aoj CEG4

(Legionella
pneumophila)
no annotation 4 ALA A  60
TYR A  62
ALA A  56
TYR A 116
None
1.19A 2wlkA-6aojA:
undetectable
2wlkB-6aojA:
undetectable
2wlkA-6aojA:
14.43
2wlkB-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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D


(Pyrococcus
furiosus)
no annotation 4 ALA H 154
TYR H 150
ALA H 165
TYR H 169
None
1.24A 2wlkA-6cfwH:
2.5
2wlkB-6cfwH:
2.2
2wlkA-6cfwH:
16.72
2wlkB-6cfwH:
16.72
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2


(Homo sapiens)
no annotation 4 ALA A 182
TYR A 183
ALA A 192
TYR A 190
None
None
F6J  A 501 (-3.4A)
None
1.28A 2wlkA-6cmjA:
undetectable
2wlkB-6cmjA:
undetectable
2wlkA-6cmjA:
10.96
2wlkB-6cmjA:
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.
6cp7 ATP SYNTHASE SUBUNIT
F, MITOCHONDRIAL


(Saccharomyces
cerevisiae)
no annotation 4 ALA U  53
TYR U  55
ALA U  49
TYR U  51
None
1.29A 2wlkA-6cp7U:
undetectable
2wlkB-6cp7U:
undetectable
2wlkA-6cp7U:
15.98
2wlkB-6cp7U:
15.98
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.
6dde SCFV16

(Mus musculus)
no annotation 4 ALA E  49
TYR E  50
ALA E  61
TYR E  59
None
1.30A 2wlkA-6ddeE:
3.4
2wlkB-6ddeE:
3.1
2wlkA-6ddeE:
15.02
2wlkB-6ddeE:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.02A 2wlkA-6en3A:
2.5
2wlkB-6en3A:
2.2
2wlkA-6en3A:
10.96
2wlkB-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
1.09A 2wlkA-6fmqA:
undetectable
2wlkB-6fmqA:
undetectable
2wlkA-6fmqA:
undetectable
2wlkB-6fmqA:
undetectable