SIMILAR PATTERNS OF AMINO ACIDS FOR 5KKZ_O_ASCO1004_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		4 HIS A 426
ILE A 372
TYR A 325
GLN A 375
 None
 1.27A 5kkzM-1cbgA:
0.0
5kkzO-1cbgA:
0.0		 5kkzM-1cbgA:
17.50
5kkzO-1cbgA:
21.19
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.
1dgr CANAVALIN
CANAVALIN

(Canavalia
ensiformis;
Canavalia
ensiformis) 		no annotation
no annotation 		4 HIS X 297
ILE Y 348
VAL X 304
ARG Y 376
 PO4  X1500 (-4.1A)
PO4  X1500 ( 4.2A)
PO4  X1500 ( 4.8A)
PO4  X1500 (-3.7A)
 1.23A 5kkzM-1dgrX:
0.0
5kkzO-1dgrX:
undetectable		 5kkzM-1dgrX:
15.85
5kkzO-1dgrX:
12.43
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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ILE A 120
VAL A 121
ARG A 124
GLN A 160
 None
 1.31A 5kkzM-1e4yA:
0.0
5kkzO-1e4yA:
undetectable		 5kkzM-1e4yA:
21.98
5kkzO-1e4yA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN

(Erythrina
crista-galli) 		PF00139
(Lectin_legB) 		4 ILE A 197
VAL A 198
TYR A 172
GLN A 202
 None
 0.95A 5kkzM-1gzcA:
0.5
5kkzO-1gzcA:
undetectable		 5kkzM-1gzcA:
21.86
5kkzO-1gzcA:
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.
1h7l SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSA

(Bacillus
subtilis) 		PF00535
(Glycos_transf_2) 		4 HIS A 164
ILE A 123
VAL A 162
ARG A 106
 None
 1.29A 5kkzM-1h7lA:
0.0
5kkzO-1h7lA:
undetectable		 5kkzM-1h7lA:
20.82
5kkzO-1h7lA:
18.08
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 HIS A 158
ILE A 104
VAL A 103
GLN A 118
 None
 1.12A 5kkzM-1k7hA:
0.0
5kkzO-1k7hA:
undetectable		 5kkzM-1k7hA:
17.88
5kkzO-1k7hA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		4 HIS A 294
ILE A 283
TYR A  86
GLN A 232
 None
 1.21A 5kkzM-1l2qA:
0.0
5kkzO-1l2qA:
undetectable		 5kkzM-1l2qA:
18.91
5kkzO-1l2qA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhc MHC CLASS I ANTIGEN
H2-M3

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 HIS A   9
VAL A  67
TYR A  22
GLN A  34
 None
 1.05A 5kkzM-1mhcA:
0.0
5kkzO-1mhcA:
undetectable		 5kkzM-1mhcA:
20.69
5kkzO-1mhcA:
19.03
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.
1mpy CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase) 		4 HIS A 214
HIS A 206
ILE A 204
ARG A 263
 FE2  A 308 (-3.7A)
None
None
None
 1.31A 5kkzM-1mpyA:
undetectable
5kkzO-1mpyA:
undetectable		 5kkzM-1mpyA:
21.50
5kkzO-1mpyA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1od6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01467
(CTP_transf_like) 		4 HIS A   2
VAL A  78
TYR A 110
GLN A  84
 None
None
SO4  A1164 (-4.1A)
None
 1.24A 5kkzM-1od6A:
undetectable
5kkzO-1od6A:
undetectable		 5kkzM-1od6A:
24.14
5kkzO-1od6A:
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 HIS B 471
HIS B 402
VAL B 476
GLN B 394
 None
 1.32A 5kkzM-1ovlB:
undetectable
5kkzO-1ovlB:
undetectable		 5kkzM-1ovlB:
21.82
5kkzO-1ovlB:
22.15
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		4 HIS A 315
VAL A 313
TYR A 251
GLN A 263
 None
 1.27A 5kkzM-1qwrA:
0.0
5kkzO-1qwrA:
undetectable		 5kkzM-1qwrA:
21.70
5kkzO-1qwrA:
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 HIS A 688
ILE A 280
TYR A 681
GLN B 127
 None
 1.27A 5kkzM-1sb3A:
undetectable
5kkzO-1sb3A:
undetectable		 5kkzM-1sb3A:
15.27
5kkzO-1sb3A:
20.57
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 122
HIS A 119
ILE A 144
TYR A  51
 None
ZN  A 280 (-3.2A)
None
None
 1.24A 5kkzM-1urtA:
undetectable
5kkzO-1urtA:
undetectable		 5kkzM-1urtA:
20.46
5kkzO-1urtA:
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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 ILE A 455
VAL A 457
TYR A 419
GLN A 481
 None
 1.14A 5kkzM-1y4uA:
undetectable
5kkzO-1y4uA:
undetectable		 5kkzM-1y4uA:
14.37
5kkzO-1y4uA:
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 HIS A 331
ILE A 333
VAL A 329
GLN A 150
 None
 1.18A 5kkzM-1yj8A:
undetectable
5kkzO-1yj8A:
undetectable		 5kkzM-1yj8A:
19.95
5kkzO-1yj8A:
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		4 ILE A 145
VAL A 128
ARG A 111
GLN A 148
 WO4  A 773 (-3.8A)
None
None
None
 1.23A 5kkzM-1z26A:
undetectable
5kkzO-1z26A:
undetectable		 5kkzM-1z26A:
12.26
5kkzO-1z26A:
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.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		4 HIS A 216
ILE A 214
VAL A 215
GLN A 238
 None
 0.98A 5kkzM-1zaoA:
undetectable
5kkzO-1zaoA:
undetectable		 5kkzM-1zaoA:
20.21
5kkzO-1zaoA:
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.
1zp6 HYPOTHETICAL PROTEIN
ATU3015

(Agrobacterium
fabrum) 		PF13238
(AAA_18) 		4 HIS A 141
ILE A 120
VAL A 137
ARG A 126
 None
None
None
SO4  A 201 (-3.3A)
 1.27A 5kkzM-1zp6A:
undetectable
5kkzO-1zp6A:
undetectable		 5kkzM-1zp6A:
22.77
5kkzO-1zp6A:
18.10
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 HIS C 291
ILE C 292
VAL C 293
TYR C 302
ARG C 306
 None
SMA  C 503 ( 4.5A)
None
SMA  C 503 (-4.2A)
None
 0.85A 5kkzM-1zrtC:
undetectable
5kkzO-1zrtC:
51.3		 5kkzM-1zrtC:
15.63
5kkzO-1zrtC:
82.47
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.
2a6p POSSIBLE
PHOSPHOGLYCERATE
MUTASE GPM2

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		4 HIS A 136
ILE A  58
VAL A  57
ARG A 140
 None
 1.26A 5kkzM-2a6pA:
undetectable
5kkzO-2a6pA:
undetectable		 5kkzM-2a6pA:
24.26
5kkzO-2a6pA:
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.
2bun APPA

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		4 HIS A  44
HIS A  68
VAL A  72
GLN A  49
 FAD  A1126 (-3.3A)
None
None
None
 1.29A 5kkzM-2bunA:
undetectable
5kkzO-2bunA:
undetectable		 5kkzM-2bunA:
17.65
5kkzO-2bunA:
15.44
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.
2cav PROTEIN (CANAVALIN)

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		4 HIS A 297
ILE A 348
VAL A 304
ARG A 376
 None
 1.19A 5kkzM-2cavA:
undetectable
5kkzO-2cavA:
undetectable		 5kkzM-2cavA:
17.09
5kkzO-2cavA:
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.
2dtc RAL GUANINE
NUCLEOTIDE EXCHANGE
FACTOR RALGPS1A

(Mus musculus) 		PF00169
(PH) 		4 ILE A  62
VAL A  60
TYR A  38
ARG A   9
 None
 0.83A 5kkzM-2dtcA:
undetectable
5kkzO-2dtcA:
undetectable		 5kkzM-2dtcA:
19.68
5kkzO-2dtcA:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 HIS A  95
ILE A  92
VAL A  93
TYR A 296
 SCN  A1502 ( 4.8A)
None
None
None
 1.24A 5kkzM-2gjmA:
undetectable
5kkzO-2gjmA:
undetectable		 5kkzM-2gjmA:
15.16
5kkzO-2gjmA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 HIS A 689
HIS A 713
VAL A 714
GLN A 682
 None
 1.31A 5kkzM-2h5gA:
undetectable
5kkzO-2h5gA:
undetectable		 5kkzM-2h5gA:
17.52
5kkzO-2h5gA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 HIS A 122
HIS A 119
ILE A 144
TYR A  51
 None
ZN  A 561 ( 3.1A)
None
None
 1.22A 5kkzM-2it4A:
undetectable
5kkzO-2it4A:
undetectable		 5kkzM-2it4A:
20.08
5kkzO-2it4A:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 HIS A 230
HIS A 808
ARG A 459
GLN A 813
 GOL  A1981 (-3.9A)
None
None
None
 1.32A 5kkzM-2ivfA:
undetectable
5kkzO-2ivfA:
undetectable		 5kkzM-2ivfA:
10.66
5kkzO-2ivfA:
17.82
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.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 HIS A 291
ILE A 292
VAL A 293
TYR A 302
ARG A 306
 None
SMA  A   1 ( 4.7A)
None
SMA  A   1 (-4.4A)
None
 0.44A 5kkzM-2qjpA:
undetectable
5kkzO-2qjpA:
57.4		 5kkzM-2qjpA:
16.78
5kkzO-2qjpA:
100.00
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 HIS A 697
ILE A 695
VAL A 696
GLN A 635
 MGD  A1765 (-3.5A)
None
None
None
 1.32A 5kkzM-2vpwA:
undetectable
5kkzO-2vpwA:
undetectable		 5kkzM-2vpwA:
12.29
5kkzO-2vpwA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w57 FERRIC UPTAKE
REGULATION PROTEIN

(Vibrio cholerae) 		PF01475
(FUR) 		4 HIS A  88
ILE A 100
VAL A  99
GLN A  32
 ZN  A 202 (-3.2A)
None
None
None
 1.00A 5kkzM-2w57A:
undetectable
5kkzO-2w57A:
undetectable		 5kkzM-2w57A:
22.45
5kkzO-2w57A:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 4 HIS A 421
HIS A 499
TYR A 400
GLN A 650
 None
 1.10A 5kkzM-2wb7A:
0.3
5kkzO-2wb7A:
3.1		 5kkzM-2wb7A:
15.66
5kkzO-2wb7A:
21.63
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.
2yiu CYTOCHROME B

(Paracoccus
denitrificans) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 HIS A 291
ILE A 292
VAL A 293
TYR A 302
ARG A 306
 None
SMA  A 502 (-4.6A)
None
SMA  A 502 (-4.5A)
None
 0.41A 5kkzM-2yiuA:
undetectable
5kkzO-2yiuA:
57.1		 5kkzM-2yiuA:
18.16
5kkzO-2yiuA:
83.37
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.
2yrn NEURON NAVIGATOR 2
ISOFORM 4

(Homo sapiens) 		PF00307
(CH) 		4 HIS A  36
HIS A  29
ILE A  56
VAL A  59
 None
 1.32A 5kkzM-2yrnA:
undetectable
5kkzO-2yrnA:
undetectable		 5kkzM-2yrnA:
18.85
5kkzO-2yrnA:
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		4 ILE A 150
VAL A 151
TYR A 204
GLN A 180
 None
 1.28A 5kkzM-2ywrA:
undetectable
5kkzO-2ywrA:
undetectable		 5kkzM-2ywrA:
22.67
5kkzO-2ywrA:
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.
2z6k REPLICATION PROTEIN
A 32 KDA SUBUNIT

(Homo sapiens) 		PF08784
(RPA_C) 		4 HIS A 131
HIS A  45
ILE A  46
GLN A  44
 None
 1.31A 5kkzM-2z6kA:
undetectable
5kkzO-2z6kA:
undetectable		 5kkzM-2z6kA:
21.74
5kkzO-2z6kA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 HIS B 348
VAL B 236
TYR B  99
GLN B 263
 None
 1.13A 5kkzM-2zbkB:
undetectable
5kkzO-2zbkB:
undetectable		 5kkzM-2zbkB:
16.50
5kkzO-2zbkB:
21.89
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.
2zq5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF13469
(Sulfotransfer_3) 		4 HIS A 117
HIS A 108
ILE A  94
TYR A 332
 None
 1.25A 5kkzM-2zq5A:
undetectable
5kkzO-2zq5A:
undetectable		 5kkzM-2zq5A:
20.50
5kkzO-2zq5A:
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.
3a0h PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00124
(Photo_RC) 		4 HIS D 189
HIS D 197
VAL D 286
TYR D 160
 None
CLA  D1004 ( 4.3A)
CLA  D1004 (-4.1A)
IOD  D1068 (-3.7A)
 1.32A 5kkzM-3a0hD:
undetectable
5kkzO-3a0hD:
undetectable		 5kkzM-3a0hD:
19.76
5kkzO-3a0hD:
23.06
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 HIS A 119
ILE A 120
VAL A 121
ARG B  32
 None
 1.13A 5kkzM-3ayxA:
undetectable
5kkzO-3ayxA:
0.0		 5kkzM-3ayxA:
16.12
5kkzO-3ayxA:
20.84
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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		4 HIS A  20
ILE A  65
VAL A  64
GLN A 384
 None
 1.26A 5kkzM-3c7oA:
0.8
5kkzO-3c7oA:
undetectable		 5kkzM-3c7oA:
18.59
5kkzO-3c7oA:
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.
3e23 UNCHARACTERIZED
PROTEIN RPA2492

(Rhodopseudomonas
palustris) 		PF08241
(Methyltransf_11) 		4 HIS A 114
HIS A 109
TYR A  17
ARG A 154
 SAM  A 221 (-4.3A)
SAM  A 221 ( 3.7A)
SAM  A 221 (-3.8A)
SO4  A 222 (-3.2A)
 1.31A 5kkzM-3e23A:
undetectable
5kkzO-3e23A:
undetectable		 5kkzM-3e23A:
22.71
5kkzO-3e23A:
19.31
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.
3ed0 (3R)-HYDROXYMYRISTOY
L-ACYL CARRIER
PROTEIN DEHYDRATASE

(Helicobacter
pylori) 		PF07977
(FabA) 		4 HIS A  16
ILE A  14
ARG A  24
GLN A  19
 None
 1.15A 5kkzM-3ed0A:
undetectable
5kkzO-3ed0A:
undetectable		 5kkzM-3ed0A:
18.28
5kkzO-3ed0A:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A  57
HIS A 152
VAL A 150
TYR A  86
 None
 1.19A 5kkzM-3gm8A:
undetectable
5kkzO-3gm8A:
undetectable		 5kkzM-3gm8A:
13.11
5kkzO-3gm8A:
18.87
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.
3h1l CYTOCHROME B

(Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS C 268
ILE C 269
TYR C 279
ARG C 283
 None
None
3H1  C2001 (-4.2A)
None
 0.93A 5kkzM-3h1lC:
undetectable
5kkzO-3h1lC:
48.7		 5kkzM-3h1lC:
16.71
5kkzO-3h1lC:
44.82
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.
3hr4 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 HIS A 639
VAL A 623
TYR A 621
GLN A 643
 None
 1.26A 5kkzM-3hr4A:
undetectable
5kkzO-3hr4A:
undetectable		 5kkzM-3hr4A:
18.67
5kkzO-3hr4A:
18.20
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.
3iiw POLYCOMB PROTEIN EED

(Homo sapiens) 		PF00400
(WD40) 		4 HIS A 189
HIS A 185
ILE A 172
ARG A 216
 None
 1.15A 5kkzM-3iiwA:
1.1
5kkzO-3iiwA:
undetectable		 5kkzM-3iiwA:
18.21
5kkzO-3iiwA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 4 ILE A 248
VAL A 249
TYR A 285
GLN A 254
 None
 1.21A 5kkzM-3j0hA:
undetectable
5kkzO-3j0hA:
undetectable		 5kkzM-3j0hA:
22.11
5kkzO-3j0hA:
23.54
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		4 HIS A 262
ILE A 263
VAL A 264
GLN A  82
 None
 1.08A 5kkzM-3k7yA:
undetectable
5kkzO-3k7yA:
undetectable		 5kkzM-3k7yA:
13.76
5kkzO-3k7yA:
21.85
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.
3kxp ALPHA-(N-ACETYLAMINO
METHYLENE)SUCCINIC
ACID HYDROLASE

(Mesorhizobium
loti) 		PF12697
(Abhydrolase_6) 		4 HIS A  69
HIS A 105
ILE A  41
TYR A  84
 None
None
CL  A 279 (-3.7A)
None
 1.23A 5kkzM-3kxpA:
undetectable
5kkzO-3kxpA:
undetectable		 5kkzM-3kxpA:
22.29
5kkzO-3kxpA:
23.06
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A  79
HIS A 156
ILE A 154
VAL A 155
 None
 1.04A 5kkzM-3lm5A:
undetectable
5kkzO-3lm5A:
undetectable		 5kkzM-3lm5A:
20.18
5kkzO-3lm5A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ln9 IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN B10

(Camelidae) 		PF07686
(V-set) 		4 HIS A  34
ILE A  51
VAL A  50
TYR A  59
 None
 1.32A 5kkzM-3ln9A:
0.8
5kkzO-3ln9A:
undetectable		 5kkzM-3ln9A:
19.11
5kkzO-3ln9A:
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.
3lqb LOC792177 PROTEIN

(Danio rerio) 		PF01400
(Astacin) 		4 ILE A 172
VAL A 120
TYR A 149
GLN A 118
 None
 1.24A 5kkzM-3lqbA:
undetectable
5kkzO-3lqbA:
undetectable		 5kkzM-3lqbA:
22.12
5kkzO-3lqbA:
17.98
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 HIS A 184
HIS A 155
ILE A 153
VAL A 154
 None
 1.03A 5kkzM-3ma6A:
undetectable
5kkzO-3ma6A:
undetectable		 5kkzM-3ma6A:
22.30
5kkzO-3ma6A:
20.26
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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 HIS A  44
ILE A  40
VAL A  41
TYR A 295
 None
 1.04A 5kkzM-3nqhA:
undetectable
5kkzO-3nqhA:
undetectable		 5kkzM-3nqhA:
14.22
5kkzO-3nqhA:
21.17
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.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		4 HIS A 231
HIS A 192
ILE A 161
ARG A 164
 None
CA  A 358 (-3.5A)
None
None
 0.99A 5kkzM-3nurA:
undetectable
5kkzO-3nurA:
undetectable		 5kkzM-3nurA:
20.96
5kkzO-3nurA:
23.16
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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 133
HIS A 188
ILE A 128
TYR A 279
 None
 1.08A 5kkzM-3oa2A:
undetectable
5kkzO-3oa2A:
undetectable		 5kkzM-3oa2A:
20.65
5kkzO-3oa2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on4 TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Legionella
pneumophila) 		PF00440
(TetR_N) 		4 HIS A  62
ILE A  59
VAL A  58
GLN A  21
 None
 1.23A 5kkzM-3on4A:
undetectable
5kkzO-3on4A:
undetectable		 5kkzM-3on4A:
23.53
5kkzO-3on4A:
16.86
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.19A 5kkzM-3opyA:
undetectable
5kkzO-3opyA:
undetectable		 5kkzM-3opyA:
10.66
5kkzO-3opyA:
18.87
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.
3ro8 ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
sp. JDR-2) 		PF00331
(Glyco_hydro_10) 		4 HIS A 298
ILE A 299
VAL A 258
TYR A 190
 None
 1.23A 5kkzM-3ro8A:
undetectable
5kkzO-3ro8A:
undetectable		 5kkzM-3ro8A:
19.65
5kkzO-3ro8A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 HIS A 201
HIS A 172
ILE A 170
VAL A 171
 None
 0.99A 5kkzM-3sxfA:
undetectable
5kkzO-3sxfA:
undetectable		 5kkzM-3sxfA:
17.18
5kkzO-3sxfA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 HIS A 344
ILE A  60
VAL A  64
GLN A 359
 None
 1.05A 5kkzM-3u9sA:
undetectable
5kkzO-3u9sA:
undetectable		 5kkzM-3u9sA:
14.29
5kkzO-3u9sA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uaj ENVELOPE PROTEIN

(Dengue virus) 		no annotation 4 HIS B 209
ILE B 197
TYR B  59
GLN B 211
 None
 1.30A 5kkzM-3uajB:
2.3
5kkzO-3uajB:
undetectable		 5kkzM-3uajB:
17.54
5kkzO-3uajB:
18.37
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 ILE A 347
VAL A 357
TYR A 421
ARG A 341
 None
 1.15A 5kkzM-3vohA:
undetectable
5kkzO-3vohA:
undetectable		 5kkzM-3vohA:
21.33
5kkzO-3vohA:
22.86
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 HIS A 303
ILE A 345
VAL A 302
ARG A 328
 None
 1.20A 5kkzM-3wd8A:
undetectable
5kkzO-3wd8A:
undetectable		 5kkzM-3wd8A:
19.35
5kkzO-3wd8A:
24.02
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 HIS A 452
ILE A 454
TYR A 419
ARG A 371
 U  C1605 ( 4.4A)
None
None
U  C1670 ( 4.0A)
 1.17A 5kkzM-3wqyA:
undetectable
5kkzO-3wqyA:
undetectable		 5kkzM-3wqyA:
12.67
5kkzO-3wqyA:
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 4 HIS B 263
ILE B 288
VAL B 261
GLN B 291
 None
 1.14A 5kkzM-3x17B:
undetectable
5kkzO-3x17B:
undetectable		 5kkzM-3x17B:
15.45
5kkzO-3x17B:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ap8 MOLYBDOPTERIN
SYNTHASE CATALYTIC
SUBUNIT

(Homo sapiens) 		PF02391
(MoaE) 		4 HIS A 118
ILE A 119
VAL A  46
ARG A 104
 None
 1.30A 5kkzM-4ap8A:
undetectable
5kkzO-4ap8A:
undetectable		 5kkzM-4ap8A:
22.11
5kkzO-4ap8A:
15.96
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.
4g0j NON-STRUCTURAL
PROTEIN 2

(Rotavirus A) 		PF02509
(Rota_NS35) 		4 HIS A 174
ILE A 116
VAL A 115
GLN A 175
 None
 1.09A 5kkzM-4g0jA:
undetectable
5kkzO-4g0jA:
undetectable		 5kkzM-4g0jA:
19.31
5kkzO-4g0jA:
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.
4g10 GLUTATHIONE
S-TRANSFERASE
HOMOLOG

(Sphingomonas
paucimobilis) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		4 HIS A  11
ILE A  12
TYR A 214
ARG A 170
 None
GSH  A 300 (-3.3A)
ACT  A 301 (-4.5A)
None
 1.24A 5kkzM-4g10A:
undetectable
5kkzO-4g10A:
undetectable		 5kkzM-4g10A:
20.15
5kkzO-4g10A:
20.66
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 HIS A 695
VAL A 685
TYR A 404
GLN A 394
 None
 1.27A 5kkzM-4iglA:
undetectable
5kkzO-4iglA:
undetectable		 5kkzM-4iglA:
8.58
5kkzO-4iglA:
15.65
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.
4irt UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15892
(BNR_4) 		4 HIS A  90
ILE A  92
VAL A  35
TYR A  57
 None
 1.12A 5kkzM-4irtA:
0.0
5kkzO-4irtA:
undetectable		 5kkzM-4irtA:
18.62
5kkzO-4irtA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ldu AUXIN RESPONSE
FACTOR 5

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		4 HIS A 277
ILE A 278
VAL A  96
TYR A  99
 None
 1.25A 5kkzM-4lduA:
0.8
5kkzO-4lduA:
undetectable		 5kkzM-4lduA:
18.91
5kkzO-4lduA:
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN

(Fusobacterium
nucleatum) 		PF03480
(DctP) 		4 HIS A 230
ILE A 179
VAL A 169
ARG A 148
 None
None
None
G3P  A 407 (-2.9A)
 1.32A 5kkzM-4pfbA:
undetectable
5kkzO-4pfbA:
undetectable		 5kkzM-4pfbA:
19.21
5kkzO-4pfbA:
20.48
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.
4rft COAT PROTEIN

(Redspotted
grouper nervous
necrosis virus) 		no annotation 4 ILE A  84
VAL A  85
TYR A 102
GLN A 175
 None
 1.31A 5kkzM-4rftA:
undetectable
5kkzO-4rftA:
undetectable		 5kkzM-4rftA:
20.51
5kkzO-4rftA:
18.54
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.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		4 HIS A  87
HIS A  25
ILE A  27
VAL A  26
 None
 1.29A 5kkzM-4x9xA:
undetectable
5kkzO-4x9xA:
undetectable		 5kkzM-4x9xA:
21.31
5kkzO-4x9xA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		4 HIS C 110
HIS C 312
ILE C 311
TYR C  72
 None
 0.86A 5kkzM-4xgcC:
undetectable
5kkzO-4xgcC:
undetectable		 5kkzM-4xgcC:
14.67
5kkzO-4xgcC:
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.
4zmx CADHERIN-3

(Homo sapiens) 		PF00028
(Cadherin) 		4 HIS A 159
ILE A 175
VAL A 174
GLN A 153
 None
 1.21A 5kkzM-4zmxA:
undetectable
5kkzO-4zmxA:
undetectable		 5kkzM-4zmxA:
23.53
5kkzO-4zmxA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		4 ILE A  57
VAL A  39
ARG A  44
GLN A  83
 None
 1.29A 5kkzM-5a29A:
undetectable
5kkzO-5a29A:
undetectable		 5kkzM-5a29A:
13.89
5kkzO-5a29A:
23.84
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.
5bqk ICP27

(Human
alphaherpesvirus
1) 		PF05459
(Herpes_UL69) 		4 HIS A 494
ILE A 495
VAL A 496
ARG A 480
 None
 1.27A 5kkzM-5bqkA:
undetectable
5kkzO-5bqkA:
undetectable		 5kkzM-5bqkA:
19.41
5kkzO-5bqkA:
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.
5c6f BACTERIAL NON-HEME
FERRITIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 HIS A 114
HIS A 107
ILE A 109
VAL A 105
 None
 1.30A 5kkzM-5c6fA:
undetectable
5kkzO-5c6fA:
2.0		 5kkzM-5c6fA:
22.55
5kkzO-5c6fA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 272
ILE C 271
VAL C 270
GLN C 418
 None
 1.16A 5kkzM-5fseC:
undetectable
5kkzO-5fseC:
undetectable		 5kkzM-5fseC:
17.65
5kkzO-5fseC:
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.
5hc8 PRENYLTRANSFERENCE
FOR PROTEIN

(Lavandula
lanata) 		PF01255
(Prenyltransf) 		4 HIS A 232
HIS A 216
ILE A 218
VAL A 214
 None
 1.24A 5kkzM-5hc8A:
undetectable
5kkzO-5hc8A:
undetectable		 5kkzM-5hc8A:
20.22
5kkzO-5hc8A:
20.53
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.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 HIS A 138
ILE A 137
TYR A 185
ARG A 179
 None
KAI  A 301 (-3.9A)
None
None
 1.15A 5kkzM-5ikbA:
undetectable
5kkzO-5ikbA:
undetectable		 5kkzM-5ikbA:
19.70
5kkzO-5ikbA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 4 HIS B 134
ILE B 114
ARG B 130
GLN B 108
 None
None
None
SO4  B 501 (-3.1A)
 1.32A 5kkzM-5ivlB:
undetectable
5kkzO-5ivlB:
undetectable		 5kkzM-5ivlB:
19.52
5kkzO-5ivlB:
23.17
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.
5jnz ALPHA CHAIN
BETA CHAIN

(Acipenser
stellatus;
Acipenser
stellatus) 		PF00042
(Globin)
PF00042
(Globin) 		4 ILE B 112
VAL A 108
TYR B 122
GLN B 131
 None
None
None
GOL  B 202 ( 4.0A)
 1.27A 5kkzM-5jnzB:
undetectable
5kkzO-5jnzB:
undetectable		 5kkzM-5jnzB:
21.88
5kkzO-5jnzB:
18.98
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 HIS A 344
ILE A 346
VAL A 347
ARG A 375
 None
 0.95A 5kkzM-5khaA:
undetectable
5kkzO-5khaA:
undetectable		 5kkzM-5khaA:
16.41
5kkzO-5khaA:
22.44
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.
5mvh BACCELL_00856

(Bacteroides
cellulosilyticus) 		PF15892
(BNR_4) 		4 HIS A  90
ILE A  92
VAL A  35
TYR A  57
 None
 1.11A 5kkzM-5mvhA:
undetectable
5kkzO-5mvhA:
undetectable		 5kkzM-5mvhA:
16.40
5kkzO-5mvhA:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 VAL A 163
TYR A  98
ARG A  96
GLN A 736
 None
 1.26A 5kkzM-5n4lA:
undetectable
5kkzO-5n4lA:
undetectable		 5kkzM-5n4lA:
undetectable
5kkzO-5n4lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n86 STABILIN-2

(Homo sapiens) 		no annotation 4 HIS A  69
HIS A 130
ILE A 132
VAL A 131
 None
 1.09A 5kkzM-5n86A:
0.5
5kkzO-5n86A:
undetectable		 5kkzM-5n86A:
undetectable
5kkzO-5n86A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmi CYTOCHROME B

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 HIS C 267
ILE C 268
TYR C 278
ARG C 282
 None
 0.90A 5kkzM-5nmiC:
undetectable
5kkzO-5nmiC:
50.3		 5kkzM-5nmiC:
17.57
5kkzO-5nmiC:
48.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobacter
sp. CaT2) 		PF00384
(Molybdopterin) 		4 HIS B 160
ILE B 249
VAL B 146
TYR B 148
 None
 1.17A 5kkzM-5t5iB:
undetectable
5kkzO-5t5iB:
undetectable		 5kkzM-5t5iB:
19.29
5kkzO-5t5iB:
22.49
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 4 HIS A  52
ILE A 263
VAL A 262
GLN A  16
 None
 1.15A 5kkzM-5yt0A:
undetectable
5kkzO-5yt0A:
undetectable		 5kkzM-5yt0A:
undetectable
5kkzO-5yt0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 HIS A1339
HIS A 703
ILE A 705
ARG A1342
 None
 1.14A 5kkzM-5zalA:
undetectable
5kkzO-5zalA:
undetectable		 5kkzM-5zalA:
undetectable
5kkzO-5zalA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6a31 PEPTIDYL-TRNA
HYDROLASE

(Acinetobacter
baumannii) 		no annotation 4 HIS A 115
HIS A 138
ILE A 136
VAL A 149
 None
 1.28A 5kkzM-6a31A:
undetectable
5kkzO-6a31A:
undetectable		 5kkzM-6a31A:
undetectable
5kkzO-6a31A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ayi HTH-TYPE
TRANSCRIPTIONAL
REGULATOR UIDR

(Escherichia
coli) 		no annotation 4 HIS A 126
ILE A 108
VAL A 105
TYR A 164
 None
None
C3G  A 201 (-4.6A)
C3G  A 201 (-4.7A)
 1.29A 5kkzM-6ayiA:
undetectable
5kkzO-6ayiA:
undetectable		 5kkzM-6ayiA:
undetectable
5kkzO-6ayiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT C
ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation
no annotation 		4 HIS B1003
ILE F 345
VAL C 250
TYR C 399
 None
 1.27A 5kkzM-6btmB:
undetectable
5kkzO-6btmB:
undetectable		 5kkzM-6btmB:
undetectable
5kkzO-6btmB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 HIS A 313
HIS A 133
ILE A  90
TYR A 200
 None
 1.13A 5kkzM-6c62A:
undetectable
5kkzO-6c62A:
undetectable		 5kkzM-6c62A:
undetectable
5kkzO-6c62A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dhi -

(-) 		no annotation 4 HIS A 157
ILE A 200
VAL A 201
GLN A 310
 None
 1.07A 5kkzM-6dhiA:
undetectable
5kkzO-6dhiA:
undetectable		 5kkzM-6dhiA:
undetectable
5kkzO-6dhiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gu8 -

(-) 		no annotation 4 HIS A 392
HIS A 398
VAL A 400
TYR A 408
 None
PEG  A 509 ( 4.5A)
EDO  A 505 (-3.5A)
None
 1.27A 5kkzM-6gu8A:
undetectable
5kkzO-6gu8A:
undetectable		 5kkzM-6gu8A:
undetectable
5kkzO-6gu8A:
undetectable