SIMILAR PATTERNS OF AMINO ACIDS FOR 4P6V_E_RBFE201_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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		4 HIS A 370
VAL A 369
GLU A 368
VAL A 272
 None
 1.47A 4p6vB-1ao0A:
0.0
4p6vE-1ao0A:
0.0		 4p6vB-1ao0A:
23.14
4p6vE-1ao0A:
18.02
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.
1b5t PROTEIN
(METHYLENETETRAHYDRO
FOLATE REDUCTASE)

(Escherichia
coli) 		PF02219
(MTHFR) 		4 HIS A  88
VAL A  58
GLU A  28
VAL A 115
 FAD  A 395 (-3.7A)
None
FAD  A 395 ( 4.3A)
None
 0.99A 4p6vB-1b5tA:
0.0
4p6vE-1b5tA:
undetectable		 4p6vB-1b5tA:
21.98
4p6vE-1b5tA:
20.42
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.
1eo0 TRANSCRIPTION
ELONGATION FACTOR
S-II

(Saccharomyces
cerevisiae) 		PF08711
(Med26) 		4 HIS A   9
VAL A   8
GLU A   5
VAL A  48
 None
 1.33A 4p6vB-1eo0A:
2.6
4p6vE-1eo0A:
undetectable		 4p6vB-1eo0A:
12.05
4p6vE-1eo0A:
17.17
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.
1fgg GLUCURONYLTRANSFERAS
E I

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		4 HIS A 134
VAL A 111
GLU A 112
VAL A 175
 None
 1.21A 4p6vB-1fggA:
undetectable
4p6vE-1fggA:
0.0		 4p6vB-1fggA:
20.75
4p6vE-1fggA:
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 HIS A 491
VAL A 574
GLU A 575
VAL A 514
 None
 1.06A 4p6vB-1k1xA:
0.0
4p6vE-1k1xA:
0.0		 4p6vB-1k1xA:
21.35
4p6vE-1k1xA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 HIS A 139
VAL A 133
GLU A 132
VAL A 156
 None
 1.12A 4p6vB-1kijA:
2.1
4p6vE-1kijA:
0.7		 4p6vB-1kijA:
21.60
4p6vE-1kijA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1knx PROBABLE HPR(SER)
KINASE/PHOSPHATASE

(Mycoplasma
pneumoniae) 		PF02603
(Hpr_kinase_N)
PF07475
(Hpr_kinase_C) 		4 VAL A 150
GLU A 144
VAL A 175
LYS A 221
 None
 1.22A 4p6vB-1knxA:
0.0
4p6vE-1knxA:
undetectable		 4p6vB-1knxA:
22.02
4p6vE-1knxA:
23.00
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 VAL A 324
GLU A 326
VAL A 356
LYS A 357
 None
 1.33A 4p6vB-1n7rA:
0.0
4p6vE-1n7rA:
0.0		 4p6vB-1n7rA:
19.78
4p6vE-1n7rA:
13.81
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		4 HIS A 206
VAL A 157
GLU A 156
VAL A 190
 None
 1.10A 4p6vB-1nt2A:
0.0
4p6vE-1nt2A:
undetectable		 4p6vB-1nt2A:
18.84
4p6vE-1nt2A:
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		4 HIS A 206
VAL A 158
GLU A 156
VAL A 190
 None
 1.45A 4p6vB-1nt2A:
0.0
4p6vE-1nt2A:
undetectable		 4p6vB-1nt2A:
18.84
4p6vE-1nt2A:
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.
1oz7 ECHICETIN B-CHAIN

(Echis carinatus) 		PF00059
(Lectin_C) 		4 VAL B  48
GLU B  47
VAL B  40
LYS B 120
 None
 1.12A 4p6vB-1oz7B:
undetectable
4p6vE-1oz7B:
undetectable		 4p6vB-1oz7B:
14.59
4p6vE-1oz7B:
18.59
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 HIS A 444
GLU A 317
VAL A 329
LYS A 328
 None
 1.21A 4p6vB-1s4fA:
0.0
4p6vE-1s4fA:
undetectable		 4p6vB-1s4fA:
20.46
4p6vE-1s4fA:
15.87
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		4 HIS A 294
VAL A 246
GLU A 247
VAL A 203
 None
 1.17A 4p6vB-1umfA:
undetectable
4p6vE-1umfA:
0.1		 4p6vB-1umfA:
23.29
4p6vE-1umfA:
19.05
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.
1v4l MUCROCETIN BETA
CHAIN

(Protobothrops
mucrosquamatus) 		PF00059
(Lectin_C) 		4 VAL B 250
GLU B 249
VAL B 242
LYS B 322
 None
 1.08A 4p6vB-1v4lB:
undetectable
4p6vE-1v4lB:
undetectable		 4p6vB-1v4lB:
12.80
4p6vE-1v4lB:
17.50
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.
1v4p ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		no annotation 4 HIS A 147
VAL A 135
GLU A 145
VAL A  41
 None
 1.18A 4p6vB-1v4pA:
undetectable
4p6vE-1v4pA:
0.7		 4p6vB-1v4pA:
17.00
4p6vE-1v4pA:
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.
1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 HIS A  67
VAL A  40
GLU A  39
LYS A   4
 None
 1.30A 4p6vB-1xvtA:
undetectable
4p6vE-1xvtA:
undetectable		 4p6vB-1xvtA:
22.36
4p6vE-1xvtA:
19.27
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.
1yx1 HYPOTHETICAL PROTEIN
PA2260

(Pseudomonas
aeruginosa) 		PF01261
(AP_endonuc_2) 		4 HIS A 187
VAL A 186
GLU A 129
LYS A 100
 None
 1.40A 4p6vB-1yx1A:
undetectable
4p6vE-1yx1A:
undetectable		 4p6vB-1yx1A:
20.33
4p6vE-1yx1A:
21.51
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.
2bol SMALL HEAT SHOCK
PROTEIN

(Taenia saginata) 		PF00011
(HSP20) 		4 HIS A 236
VAL A 308
GLU A 309
LYS A 218
 None
 1.41A 4p6vB-2bolA:
undetectable
4p6vE-2bolA:
undetectable		 4p6vB-2bolA:
19.50
4p6vE-2bolA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 HIS A 444
GLU A 317
VAL A 329
LYS A 328
 None
 1.38A 4p6vB-2cjqA:
undetectable
4p6vE-2cjqA:
undetectable		 4p6vB-2cjqA:
20.33
4p6vE-2cjqA:
14.58
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.
2e6n STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		4 HIS A  64
VAL A  57
GLU A  58
VAL A  75
 None
 1.41A 4p6vB-2e6nA:
undetectable
4p6vE-2e6nA:
undetectable		 4p6vB-2e6nA:
15.00
4p6vE-2e6nA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fez PROBABLE REGULATORY
PROTEIN EMBR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C)
PF00498
(FHA)
PF03704
(BTAD) 		4 HIS A 201
GLU A 200
VAL A 171
LYS A 170
 None
 1.33A 4p6vB-2fezA:
undetectable
4p6vE-2fezA:
undetectable		 4p6vB-2fezA:
22.81
4p6vE-2fezA:
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.
2g1l KINESIN-LIKE PROTEIN
KIF1C

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		4 HIS A 599
VAL A 557
GLU A 555
LYS A 497
 None
 1.35A 4p6vB-2g1lA:
undetectable
4p6vE-2g1lA:
undetectable		 4p6vB-2g1lA:
13.07
4p6vE-2g1lA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 HIS A 446
VAL A 445
GLU A 444
VAL A 454
 None
 1.35A 4p6vB-2i7tA:
undetectable
4p6vE-2i7tA:
undetectable		 4p6vB-2i7tA:
21.69
4p6vE-2i7tA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n1b GTP-BINDING NUCLEAR
PROTEIN RAN

(Homo sapiens) 		PF00071
(Ras) 		4 HIS A  48
VAL A  47
VAL A  27
LYS A  28
 None
 1.36A 4p6vB-2n1bA:
undetectable
4p6vE-2n1bA:
undetectable		 4p6vB-2n1bA:
20.05
4p6vE-2n1bA:
18.42
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.
2o4x STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		4 HIS B 735
VAL B 728
GLU B 729
VAL B 746
 None
 1.11A 4p6vB-2o4xB:
undetectable
4p6vE-2o4xB:
undetectable		 4p6vB-2o4xB:
11.43
4p6vE-2o4xB:
19.17
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.
2p3v INOSITOL-1-MONOPHOSP
HATASE

(Thermotoga
maritima) 		PF00459
(Inositol_P) 		4 VAL A1050
GLU A1052
VAL A1014
LYS A1013
 None
 1.19A 4p6vB-2p3vA:
undetectable
4p6vE-2p3vA:
1.8		 4p6vB-2p3vA:
21.86
4p6vE-2p3vA:
21.88
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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A  39
VAL A   8
GLU A   9
VAL A  45
 None
 1.06A 4p6vB-2qdeA:
undetectable
4p6vE-2qdeA:
undetectable		 4p6vB-2qdeA:
22.30
4p6vE-2qdeA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 HIS A 216
VAL A 217
GLU A 218
LYS A 245
 AGS  A1162 (-3.9A)
None
None
AGS  A1162 (-3.5A)
 1.04A 4p6vB-2qf7A:
3.7
4p6vE-2qf7A:
undetectable		 4p6vB-2qf7A:
16.28
4p6vE-2qf7A:
10.87
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 HIS A 209
VAL A 210
GLU A 211
LYS A 238
 AP2  A1448 (-3.7A)
None
None
None
 1.22A 4p6vB-2vqdA:
undetectable
4p6vE-2vqdA:
undetectable		 4p6vB-2vqdA:
21.44
4p6vE-2vqdA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wch GENERAL
ODORANT-BINDING
PROTEIN 1

(Bombyx mori) 		PF01395
(PBP_GOBP) 		4 HIS A   7
VAL A   4
GLU A   3
VAL A 137
 None
 1.35A 4p6vB-2wchA:
undetectable
4p6vE-2wchA:
undetectable		 4p6vB-2wchA:
14.46
4p6vE-2wchA:
20.51
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.
2x7m ARCHAEMETZINCIN

(Methanopyrus
kandleri) 		PF07998
(Peptidase_M54) 		4 VAL A 120
GLU A 122
VAL A 142
LYS A 155
 None
 1.29A 4p6vB-2x7mA:
1.5
4p6vE-2x7mA:
undetectable		 4p6vB-2x7mA:
19.00
4p6vE-2x7mA:
24.65
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 VAL A 602
GLU A 603
VAL A 607
LYS A 407
 None
 1.20A 4p6vB-2ya2A:
undetectable
4p6vE-2ya2A:
undetectable		 4p6vB-2ya2A:
19.72
4p6vE-2ya2A:
13.54
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 HIS A   9
VAL A   6
GLU A   8
VAL A  27
 None
 1.26A 4p6vB-3a3hA:
undetectable
4p6vE-3a3hA:
undetectable		 4p6vB-3a3hA:
19.57
4p6vE-3a3hA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		4 HIS A 210
VAL A 345
GLU A 208
VAL A 221
 None
 1.36A 4p6vB-3afoA:
undetectable
4p6vE-3afoA:
undetectable		 4p6vB-3afoA:
21.93
4p6vE-3afoA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3asf MAGNETOSOME PROTEIN
MAMA

(Magnetospirillum
gryphiswaldense) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		4 HIS A  85
VAL A  82
GLU A  81
LYS A 115
 None
 1.32A 4p6vB-3asfA:
undetectable
4p6vE-3asfA:
undetectable		 4p6vB-3asfA:
17.87
4p6vE-3asfA:
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.
3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Methanocaldococcus
jannaschii) 		PF13476
(AAA_23) 		4 HIS A 904
VAL A 893
GLU A 894
VAL A 909
 None
 1.13A 4p6vB-3auxA:
undetectable
4p6vE-3auxA:
undetectable		 4p6vB-3auxA:
19.72
4p6vE-3auxA:
21.60
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 HIS A 735
VAL A 728
GLU A 729
VAL A 746
 None
 1.15A 4p6vB-3bdlA:
undetectable
4p6vE-3bdlA:
undetectable		 4p6vB-3bdlA:
20.28
4p6vE-3bdlA:
15.86
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.
3dyj TALIN-1

(Mus musculus) 		no annotation 4 VAL A2025
GLU A2028
VAL A2032
LYS A2031
 None
 1.39A 4p6vB-3dyjA:
1.6
4p6vE-3dyjA:
3.7		 4p6vB-3dyjA:
21.63
4p6vE-3dyjA:
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.
3g69 SORTASE C

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		4 HIS A 183
VAL A 113
GLU A 114
VAL A 188
 None
 1.11A 4p6vB-3g69A:
undetectable
4p6vE-3g69A:
undetectable		 4p6vB-3g69A:
17.79
4p6vE-3g69A:
19.73
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.
3g6e 50S RIBOSOMAL
PROTEIN L22P

(Haloarcula
marismortui) 		PF00237
(Ribosomal_L22) 		4 HIS R 113
VAL R 114
GLU R 144
VAL R   6
 G  0 525 ( 4.1A)
None
None
None
 1.36A 4p6vB-3g6eR:
undetectable
4p6vE-3g6eR:
undetectable		 4p6vB-3g6eR:
16.54
4p6vE-3g6eR:
19.14
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.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 HIS A 209
VAL A 210
GLU A 211
LYS A 238
 None
None
None
SO4  A1003 (-3.4A)
 1.08A 4p6vB-3g8dA:
undetectable
4p6vE-3g8dA:
undetectable		 4p6vB-3g8dA:
23.32
4p6vE-3g8dA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gby UNCHARACTERIZED
PROTEIN CT1051

(Chlorobaculum
tepidum) 		PF00571
(CBS) 		4 HIS A  49
VAL A  48
GLU A  73
LYS A  95
 None
 1.13A 4p6vB-3gbyA:
undetectable
4p6vE-3gbyA:
undetectable		 4p6vB-3gbyA:
14.50
4p6vE-3gbyA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 HIS A  49
VAL A 174
GLU A 173
VAL A  57
 None
 1.36A 4p6vB-3h2zA:
1.6
4p6vE-3h2zA:
undetectable		 4p6vB-3h2zA:
23.01
4p6vE-3h2zA:
21.45
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.
3h96 F420-H2 DEPENDENT
REDUCTASE A

(Mycolicibacterium
smegmatis) 		PF04075
(F420H2_quin_red) 		4 HIS A  35
VAL A  88
GLU A  89
VAL A  46
 None
 1.18A 4p6vB-3h96A:
undetectable
4p6vE-3h96A:
undetectable		 4p6vB-3h96A:
17.03
4p6vE-3h96A:
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.
3hz7 UNCHARACTERIZED
PROTEIN

(Desulfitobacterium
hafniense) 		PF01206
(TusA) 		4 VAL A  34
GLU A  67
VAL A  65
LYS A  61
 None
 1.29A 4p6vB-3hz7A:
undetectable
4p6vE-3hz7A:
undetectable		 4p6vB-3hz7A:
10.84
4p6vE-3hz7A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A  15
VAL A  37
GLU A  36
VAL A 369
 None
 1.16A 4p6vB-3i6tA:
undetectable
4p6vE-3i6tA:
undetectable		 4p6vB-3i6tA:
23.24
4p6vE-3i6tA:
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.
3jxv 70 KDA
PEPTIDYL-PROLYL
ISOMERASE

(Triticum
aestivum) 		PF00254
(FKBP_C) 		4 VAL A 179
GLU A 178
VAL A 267
LYS A 279
 None
 1.46A 4p6vB-3jxvA:
undetectable
4p6vE-3jxvA:
undetectable		 4p6vB-3jxvA:
22.00
4p6vE-3jxvA:
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.
3jxv 70 KDA
PEPTIDYL-PROLYL
ISOMERASE

(Triticum
aestivum) 		PF00254
(FKBP_C) 		4 VAL A 203
GLU A 178
VAL A 267
LYS A 279
 None
 1.25A 4p6vB-3jxvA:
undetectable
4p6vE-3jxvA:
undetectable		 4p6vB-3jxvA:
22.00
4p6vE-3jxvA:
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		4 VAL A  66
GLU A  65
VAL A 217
LYS A 216
 None
 1.21A 4p6vB-3kn1A:
undetectable
4p6vE-3kn1A:
undetectable		 4p6vB-3kn1A:
18.42
4p6vE-3kn1A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		4 HIS A 142
VAL A 141
GLU A 140
VAL A 154
 ZN  A   1 ( 3.2A)
None
None
MLT  A   3 (-4.6A)
 1.27A 4p6vB-3q31A:
undetectable
4p6vE-3q31A:
undetectable		 4p6vB-3q31A:
21.88
4p6vE-3q31A:
23.77
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.
3rcc SORTASE SRTA

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		4 HIS A 166
VAL A 167
GLU A 168
VAL A 162
 None
None
ZN  A 303 (-2.0A)
None
 1.21A 4p6vB-3rccA:
undetectable
4p6vE-3rccA:
undetectable		 4p6vB-3rccA:
15.82
4p6vE-3rccA:
21.61
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.
3rfn BB_1WNU_001

(Pyrococcus
horikoshii) 		no annotation 4 HIS A 147
VAL A 135
GLU A 145
VAL A  41
 None
 1.22A 4p6vB-3rfnA:
undetectable
4p6vE-3rfnA:
undetectable		 4p6vB-3rfnA:
16.51
4p6vE-3rfnA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rlf MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK

(Escherichia
coli) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		4 HIS A 317
VAL A 307
GLU A 308
VAL A 328
 None
 1.27A 4p6vB-3rlfA:
undetectable
4p6vE-3rlfA:
undetectable		 4p6vB-3rlfA:
19.08
4p6vE-3rlfA:
23.22
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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 207
VAL A 231
GLU A 209
LYS A 145
 None
None
MG  A 369 (-3.2A)
MG  A 369 ( 3.8A)
 1.39A 4p6vB-3t8qA:
undetectable
4p6vE-3t8qA:
undetectable		 4p6vB-3t8qA:
21.10
4p6vE-3t8qA:
19.47
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 229
VAL A 253
GLU A 231
LYS A 167
 None
 1.37A 4p6vB-3t9pA:
undetectable
4p6vE-3t9pA:
undetectable		 4p6vB-3t9pA:
21.49
4p6vE-3t9pA:
20.32
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.
3tcs RACEMASE, PUTATIVE

(Roseobacter
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 207
VAL A 231
GLU A 209
LYS A 145
 None
None
MG  A 368 ( 2.8A)
DAL  A 370 (-2.9A)
 1.34A 4p6vB-3tcsA:
undetectable
4p6vE-3tcsA:
undetectable		 4p6vB-3tcsA:
23.28
4p6vE-3tcsA:
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.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 207
VAL A 231
GLU A 209
LYS A 145
 None
None
MG  A 371 ( 2.9A)
GAI  A 372 (-2.7A)
 1.36A 4p6vB-3u4fA:
undetectable
4p6vE-3u4fA:
1.8		 4p6vB-3u4fA:
21.43
4p6vE-3u4fA:
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 VAL A 668
GLU A 665
VAL A 774
LYS A 773
 None
 1.38A 4p6vB-3ut2A:
undetectable
4p6vE-3ut2A:
undetectable		 4p6vB-3ut2A:
20.10
4p6vE-3ut2A:
13.91
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.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		4 VAL A 117
GLU A 115
VAL A 113
LYS A  90
 None
 1.23A 4p6vB-3uwdA:
undetectable
4p6vE-3uwdA:
undetectable		 4p6vB-3uwdA:
24.27
4p6vE-3uwdA:
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.
3vnw CYTOCHROME C-552

(Thermus
thermophilus) 		PF00034
(Cytochrom_C) 		4 HIS A  32
GLU A  35
VAL A  60
LYS A  61
 HEM  A 200 (-3.7A)
None
HEM  A 200 (-4.9A)
None
 1.36A 4p6vB-3vnwA:
undetectable
4p6vE-3vnwA:
undetectable		 4p6vB-3vnwA:
14.01
4p6vE-3vnwA:
17.91
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.
3vnw CYTOCHROME C-552

(Thermus
thermophilus) 		PF00034
(Cytochrom_C) 		4 HIS A  32
VAL A  33
GLU A  35
VAL A  60
 HEM  A 200 (-3.7A)
None
None
HEM  A 200 (-4.9A)
 1.43A 4p6vB-3vnwA:
undetectable
4p6vE-3vnwA:
undetectable		 4p6vB-3vnwA:
14.01
4p6vE-3vnwA:
17.91
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 HIS A 172
VAL A  66
GLU A  64
VAL A 170
 None
 1.47A 4p6vB-3wiqA:
undetectable
4p6vE-3wiqA:
undetectable		 4p6vB-3wiqA:
21.69
4p6vE-3wiqA:
13.08
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.
4e6w CLBP PEPTIDASE

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		4 HIS A 264
VAL A  90
GLU A  92
VAL A 226
 None
 1.36A 4p6vB-4e6wA:
undetectable
4p6vE-4e6wA:
undetectable		 4p6vB-4e6wA:
22.89
4p6vE-4e6wA:
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.
4ed9 CAIB/BAIF FAMILY
PROTEIN

(Brucella suis) 		PF02515
(CoA_transf_3) 		4 VAL A  97
GLU A  13
VAL A  34
LYS A  71
 None
 1.43A 4p6vB-4ed9A:
1.5
4p6vE-4ed9A:
undetectable		 4p6vB-4ed9A:
23.85
4p6vE-4ed9A:
20.37
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.
4f4z DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		no annotation 4 VAL B 171
GLU B 170
VAL B 165
LYS B 164
 None
 1.30A 4p6vB-4f4zB:
undetectable
4p6vE-4f4zB:
undetectable		 4p6vB-4f4zB:
20.67
4p6vE-4f4zB:
19.27
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 HIS A  75
VAL A  74
GLU A  76
VAL A 208
 None
 1.30A 4p6vB-4gr4A:
undetectable
4p6vE-4gr4A:
undetectable		 4p6vB-4gr4A:
23.82
4p6vE-4gr4A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 HIS A  75
VAL A  74
GLU A  76
VAL A 208
 None
 1.34A 4p6vB-4gr5A:
undetectable
4p6vE-4gr5A:
undetectable		 4p6vB-4gr5A:
22.30
4p6vE-4gr5A:
18.04
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 HIS A 111
VAL A  31
GLU A 113
VAL A 340
 None
 1.24A 4p6vB-4gxwA:
0.4
4p6vE-4gxwA:
undetectable		 4p6vB-4gxwA:
21.78
4p6vE-4gxwA:
18.88
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.
4hu3 OXYGEN SENSOR
PROTEIN DOSP

(Escherichia
coli) 		PF00563
(EAL) 		4 VAL A 756
GLU A 754
VAL A 752
LYS A 718
 None
 1.38A 4p6vB-4hu3A:
undetectable
4p6vE-4hu3A:
undetectable		 4p6vB-4hu3A:
20.75
4p6vE-4hu3A:
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.
4kr9 PROBABLE TRNA
SULFURTRANSFERASE

(Thermotoga
maritima) 		PF02568
(ThiI)
PF02926
(THUMP) 		4 HIS A 239
VAL A 204
GLU A 202
VAL A 384
 None
 1.42A 4p6vB-4kr9A:
undetectable
4p6vE-4kr9A:
undetectable		 4p6vB-4kr9A:
22.60
4p6vE-4kr9A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9w ARA H 8 ALLERGEN

(Arachis
hypogaea) 		PF00407
(Bet_v_1) 		4 VAL A  70
GLU A  71
VAL A  85
LYS A  96
 None
 1.21A 4p6vB-4m9wA:
undetectable
4p6vE-4m9wA:
undetectable		 4p6vB-4m9wA:
16.03
4p6vE-4m9wA:
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.
4qqv INTERLEUKIN-3
RECEPTOR CLASS 2
SUBUNIT BETA

(Mus musculus) 		PF09240
(IL6Ra-bind)
PF09294
(Interfer-bind) 		4 HIS A 216
VAL A 215
GLU A 214
LYS A 158
 None
 1.32A 4p6vB-4qqvA:
undetectable
4p6vE-4qqvA:
undetectable		 4p6vB-4qqvA:
18.01
4p6vE-4qqvA:
18.89
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.
4tqx SORTASE

(Streptococcus
mutans) 		PF04203
(Sortase) 		4 HIS A 217
VAL A 216
GLU A 179
VAL A 190
 ACY  A 302 (-3.9A)
None
ACY  A 302 ( 4.7A)
ACY  A 302 (-3.9A)
 1.26A 4p6vB-4tqxA:
undetectable
4p6vE-4tqxA:
undetectable		 4p6vB-4tqxA:
19.06
4p6vE-4tqxA:
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.
4zrm UDP-GLUCOSE
4-EPIMERASE

(Thermotoga
maritima) 		PF01370
(Epimerase) 		4 HIS A 201
VAL A 200
GLU A 199
LYS A 264
 None
 1.47A 4p6vB-4zrmA:
undetectable
4p6vE-4zrmA:
undetectable		 4p6vB-4zrmA:
20.19
4p6vE-4zrmA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c0y EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 HIS A 316
VAL A 389
GLU A 392
VAL A 396
 None
 1.42A 4p6vB-5c0yA:
undetectable
4p6vE-5c0yA:
undetectable		 4p6vB-5c0yA:
21.05
4p6vE-5c0yA:
19.15
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.
5cuw SRTE1

(Streptomyces
coelicolor) 		PF04203
(Sortase) 		4 HIS A 201
VAL A 272
GLU A 274
VAL A 208
 None
 1.47A 4p6vB-5cuwA:
undetectable
4p6vE-5cuwA:
undetectable		 4p6vB-5cuwA:
18.36
4p6vE-5cuwA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e02 FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 HIS A 346
VAL A 198
GLU A 196
VAL A 151
 None
 1.42A 4p6vB-5e02A:
undetectable
4p6vE-5e02A:
undetectable		 4p6vB-5e02A:
16.18
4p6vE-5e02A:
10.30
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		4 HIS B  48
VAL B  38
GLU B  37
VAL B  31
 None
 1.09A 4p6vB-5ergB:
undetectable
4p6vE-5ergB:
undetectable		 4p6vB-5ergB:
21.18
4p6vE-5ergB:
17.31
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		4 HIS I 212
GLU A  35
VAL I 214
LYS I  70
 None
 1.38A 4p6vB-5excI:
undetectable
4p6vE-5excI:
undetectable		 4p6vB-5excI:
16.63
4p6vE-5excI:
19.32
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		4 HIS A 256
VAL A 255
GLU A 245
VAL A 260
 ZN  A2001 (-3.6A)
None
None
None
 1.40A 4p6vB-5fb3A:
undetectable
4p6vE-5fb3A:
undetectable		 4p6vB-5fb3A:
23.20
4p6vE-5fb3A:
22.03
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.
5fml PA SUBUNIT OF
INFLUENZA B
POLYMERASE

(Influenza B
virus) 		PF00603
(Flu_PA) 		4 HIS B  41
VAL B  40
GLU B 193
VAL B 121
 MG  B1195 ( 3.5A)
None
None
MG  B1195 (-4.1A)
 1.37A 4p6vB-5fmlB:
undetectable
4p6vE-5fmlB:
undetectable		 4p6vB-5fmlB:
16.22
4p6vE-5fmlB:
19.91
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.
5gvx TREHALOSE-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF02358
(Trehalose_PPase) 		4 HIS A 260
VAL A 249
GLU A 251
VAL A 293
 None
 1.38A 4p6vB-5gvxA:
undetectable
4p6vE-5gvxA:
1.9		 4p6vB-5gvxA:
22.15
4p6vE-5gvxA:
20.14
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.
5gvx TREHALOSE-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF02358
(Trehalose_PPase) 		4 HIS A 260
VAL A 250
GLU A 251
VAL A 293
 None
 1.17A 4p6vB-5gvxA:
undetectable
4p6vE-5gvxA:
1.9		 4p6vB-5gvxA:
22.15
4p6vE-5gvxA:
20.14
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.
5j2r SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF02196
(RBD) 		4 HIS A 223
VAL A 224
GLU A 225
LYS A 205
 None
 1.40A 4p6vB-5j2rA:
undetectable
4p6vE-5j2rA:
undetectable		 4p6vB-5j2rA:
17.69
4p6vE-5j2rA:
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.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 HIS A 245
VAL A 242
GLU A 244
LYS A 248
 None
 1.36A 4p6vB-5lkdA:
undetectable
4p6vE-5lkdA:
undetectable		 4p6vB-5lkdA:
19.38
4p6vE-5lkdA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 VAL A 649
GLU A 647
VAL A 645
LYS A 611
 None
MG  A 703 ( 2.2A)
None
MG  A 702 ( 4.4A)
 1.39A 4p6vB-5m1tA:
undetectable
4p6vE-5m1tA:
undetectable		 4p6vB-5m1tA:
21.24
4p6vE-5m1tA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m9o STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 HIS A 760
VAL A 753
GLU A 754
VAL A 771
 None
 1.13A 4p6vB-5m9oA:
undetectable
4p6vE-5m9oA:
undetectable		 4p6vB-5m9oA:
20.72
4p6vE-5m9oA:
18.88
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 HIS A 459
VAL A 530
GLU A 532
VAL A 457
 None
 1.43A 4p6vB-5mdnA:
undetectable
4p6vE-5mdnA:
undetectable		 4p6vB-5mdnA:
18.62
4p6vE-5mdnA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlk ACETYL-COA
CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 HIS A 218
VAL A 219
GLU A 220
LYS A 247
 None
 1.24A 4p6vB-5mlkA:
undetectable
4p6vE-5mlkA:
undetectable		 4p6vB-5mlkA:
20.32
4p6vE-5mlkA:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		4 HIS A 426
VAL A 425
GLU A 420
VAL A 428
 None
 1.24A 4p6vB-5mswA:
undetectable
4p6vE-5mswA:
undetectable		 4p6vB-5mswA:
17.12
4p6vE-5mswA:
9.84
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.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		4 HIS A  47
VAL A  48
GLU A  99
VAL A 132
 None
 1.23A 4p6vB-5nthA:
1.0
4p6vE-5nthA:
0.9		 4p6vB-5nthA:
22.12
4p6vE-5nthA:
16.70
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.
5nzb PROFILIN-2

(Betula pendula) 		no annotation 4 VAL A 120
GLU A 122
VAL A 104
LYS A  97
 None
 1.24A 4p6vB-5nzbA:
undetectable
4p6vE-5nzbA:
undetectable		 4p6vB-5nzbA:
15.38
4p6vE-5nzbA:
23.62
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		4 HIS A1130
VAL A 775
GLU A 776
LYS A1094
 None
 1.32A 4p6vB-5szsA:
undetectable
4p6vE-5szsA:
0.8		 4p6vB-5szsA:
14.90
4p6vE-5szsA:
9.84
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.
5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Haemophilus
influenzae) 		PF02219
(MTHFR) 		4 HIS A  86
VAL A  56
GLU A  26
VAL A 113
 FAD  A 300 (-3.8A)
None
ACY  A 302 (-2.8A)
None
 0.99A 4p6vB-5umeA:
undetectable
4p6vE-5umeA:
undetectable		 4p6vB-5umeA:
20.67
4p6vE-5umeA:
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.
5v4a GLYCOSYLTRANSFERASE
(DUF1792)

(Streptococcus
sanguinis) 		PF08759
(GT-D) 		4 HIS A 190
VAL A 187
GLU A 189
VAL A 268
 None
 1.45A 4p6vB-5v4aA:
undetectable
4p6vE-5v4aA:
undetectable		 4p6vB-5v4aA:
21.26
4p6vE-5v4aA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vzj EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 HIS J 316
VAL J 389
GLU J 392
VAL J 396
 None
 1.40A 4p6vB-5vzjJ:
undetectable
4p6vE-5vzjJ:
undetectable		 4p6vB-5vzjJ:
22.47
4p6vE-5vzjJ:
15.34
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 4 HIS A 444
GLU A 317
VAL A 329
LYS A 328
 None
None
None
SO4  A 708 (-3.0A)
 1.23A 4p6vB-5y6rA:
undetectable
4p6vE-5y6rA:
undetectable		 4p6vB-5y6rA:
13.09
4p6vE-5y6rA:
17.71
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 4 VAL A 346
GLU A 327
VAL A 331
LYS A 330
 None
 1.18A 4p6vB-5yatA:
undetectable
4p6vE-5yatA:
undetectable		 4p6vB-5yatA:
10.79
4p6vE-5yatA:
17.89
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.
6cri -

(-) 		no annotation 4 HIS M 313
VAL M 378
GLU M 311
LYS M 333
 None
 1.34A 4p6vB-6criM:
undetectable
4p6vE-6criM:
undetectable		 4p6vB-6criM:
undetectable
4p6vE-6criM:
undetectable