SIMILAR PATTERNS OF AMINO ACIDS FOR 3CWK_A_REAA300

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.
1d9z EXCINUCLEASE UVRABC
COMPONENT UVRB

([Bacillus]
caldotenax) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		5 PHE A  81
LEU A   7
ALA A  54
VAL A  62
THR A  60
 None
 1.03A 3cwkA-1d9zA:
0.0		 3cwkA-1d9zA:
12.44
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.
1de4 HEMOCHROMATOSIS
PROTEIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 PHE A  12
LEU A 100
LEU A   8
ALA A  27
VAL A  37
 None
 1.25A 3cwkA-1de4A:
0.2		 3cwkA-1de4A:
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.
1f75 UNDECAPRENYL
PYROPHOSPHATE
SYNTHETASE

(Micrococcus
luteus) 		PF01255
(Prenyltransf) 		5 PHE A 207
LEU A 146
ALA A 145
PRO A 192
VAL A 143
 None
 1.14A 3cwkA-1f75A:
0.0		 3cwkA-1f75A:
22.07
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.
1g0u PROTEASOME COMPONENT
PUP2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU D  48
ALA D 139
VAL D 116
THR D 113
VAL D 109
 None
 0.99A 3cwkA-1g0uD:
0.3		 3cwkA-1g0uD:
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 ALA A  81
ALA A  83
PRO A  88
VAL A  58
THR A  86
 None
 1.16A 3cwkA-1ixpA:
undetectable		 3cwkA-1ixpA:
20.83
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.
1j7g D-TYROSYL-TRNA(TYR)
DEACYLASE

(Haemophilus
influenzae) 		PF02580
(Tyr_Deacylase) 		5 PHE A 109
LEU A  31
LEU A  81
ALA A   3
VAL A  66
 None
 1.25A 3cwkA-1j7gA:
undetectable		 3cwkA-1j7gA:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 LEU A 347
ALA A 351
VAL A 396
THR A 393
VAL A 389
 None
 1.22A 3cwkA-1l2qA:
0.0		 3cwkA-1l2qA:
15.64
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.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 175
LEU A 174
ALA A 173
VAL A   3
THR A  76
 None
 1.18A 3cwkA-1lrkA:
undetectable		 3cwkA-1lrkA:
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 LEU A 989
ALA A 965
PRO A 818
VAL A1010
ARG A1011
 None
 1.16A 3cwkA-1no7A:
0.1		 3cwkA-1no7A:
11.66
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.
1r5j PUTATIVE
PHOSPHOTRANSACETYLAS
E

(Streptococcus
pyogenes) 		PF01515
(PTA_PTB) 		5 LEU A 182
ALA A 186
ALA A 190
PRO A 200
THR A 267
 None
 1.24A 3cwkA-1r5jA:
undetectable		 3cwkA-1r5jA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 419
ALA A 129
ALA A 127
VAL A 151
THR A 149
 None
 1.21A 3cwkA-1r9jA:
undetectable		 3cwkA-1r9jA:
11.94
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 ALA A 294
ALA A 292
PRO A 186
VAL A 242
VAL A 265
 None
None
None
PLP  A 962 (-4.8A)
None
 1.26A 3cwkA-1tdjA:
undetectable		 3cwkA-1tdjA:
11.46
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 LEU A 220
ALA A 211
ALA A 193
VAL A 198
VAL A 209
 None
 1.14A 3cwkA-1tdjA:
undetectable		 3cwkA-1tdjA:
11.46
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.
1vl8 GLUCONATE
5-DEHYDROGENASE

(Thermotoga
maritima) 		PF13561
(adh_short_C2) 		5 LEU A 226
ALA A 230
ALA A 234
THR A  90
VAL A  92
 None
 1.16A 3cwkA-1vl8A:
undetectable		 3cwkA-1vl8A:
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		6 LEU A1032
ALA A1034
ALA A1036
VAL A1096
THR A1099
GLU A1011
 None
 1.37A 3cwkA-1yxoA:
undetectable		 3cwkA-1yxoA:
16.41
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 PHE A 607
LEU A 511
ALA A 570
VAL A 540
VAL A 549
 None
 1.24A 3cwkA-1z68A:
undetectable		 3cwkA-1z68A:
11.73
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 LEU A 284
ALA A 270
ALA A 250
VAL A 229
THR A 222
 None
 1.14A 3cwkA-2bb0A:
undetectable		 3cwkA-2bb0A:
15.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cbr PROTEIN (CRABP-I)

(Bos taurus) 		PF00061
(Lipocalin) 		5 LEU A  28
PRO A  39
THR A  56
VAL A  58
ARG A  59
 A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.3A)
None
A80  A 201 (-4.8A)
 0.93A 3cwkA-2cbrA:
26.0		 3cwkA-2cbrA:
72.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cbr PROTEIN (CRABP-I)

(Bos taurus) 		PF00061
(Lipocalin) 		8 PHE A  15
LEU A  19
LEU A  28
ALA A  32
ALA A  36
PRO A  39
THR A  56
VAL A  58
 None
None
A80  A 201 ( 4.0A)
A80  A 201 ( 4.1A)
A80  A 201 ( 4.0A)
A80  A 201 ( 4.9A)
A80  A 201 (-3.3A)
None
 0.49A 3cwkA-2cbrA:
26.0		 3cwkA-2cbrA:
72.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 362
ALA A 349
PRO A 348
VAL A 492
GLU A 392
 None
MPD  A2001 (-3.5A)
MPD  A2001 (-4.7A)
None
None
 1.09A 3cwkA-2d4wA:
undetectable		 3cwkA-2d4wA:
15.54
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 PHE C 306
LEU C 266
ALA C 391
ALA C 388
GLU C 274
 None
 1.24A 3cwkA-2d6fC:
undetectable		 3cwkA-2d6fC:
12.91
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.
2gn4 UDP-GLCNAC C6
DEHYDRATASE

(Helicobacter
pylori) 		PF02719
(Polysacc_synt_2) 		5 LEU A  90
ALA A  89
ALA A  87
VAL A  41
VAL A  68
 None
NDP  A 334 (-3.2A)
NDP  A 334 (-4.1A)
None
NDP  A 334 (-3.5A)
 1.19A 3cwkA-2gn4A:
undetectable		 3cwkA-2gn4A:
19.94
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.
2gom FIBRINOGEN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF12199
(efb-c) 		5 LEU A 111
ALA A 114
ALA A 133
VAL A 158
ARG A 154
 None
 1.10A 3cwkA-2gomA:
undetectable		 3cwkA-2gomA:
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 LEU A  63
LEU A  18
ALA A  17
PRO A 112
THR A 115
 None
 1.12A 3cwkA-2iuyA:
undetectable		 3cwkA-2iuyA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 1

(Sulfolobus
solfataricus) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 PHE A 225
LEU A 230
ALA A 221
ALA A 224
GLU A 264
 None
 1.12A 3cwkA-2qbyA:
undetectable		 3cwkA-2qbyA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		5 PHE A  87
LEU A  85
ALA A  55
VAL A  71
THR A  15
 None
 0.99A 3cwkA-2qpqA:
undetectable		 3cwkA-2qpqA:
18.71
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 PHE A 190
LEU A 411
ALA A 189
THR A 151
VAL A 152
 None
 1.17A 3cwkA-2r9hA:
undetectable		 3cwkA-2r9hA:
14.47
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.
2v1u CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13191
(AAA_16) 		5 PHE A 230
LEU A 235
ALA A 226
ALA A 229
GLU A 266
 None
 0.99A 3cwkA-2v1uA:
undetectable		 3cwkA-2v1uA:
14.88
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.
2wt9 NICOTINAMIDASE

(Acinetobacter
baumannii) 		PF00857
(Isochorismatase) 		5 PHE A 126
LEU A 137
ALA A 167
VAL A 176
THR A 174
 None
 1.16A 3cwkA-2wt9A:
undetectable		 3cwkA-2wt9A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 PHE B 374
LEU B 319
ALA B 303
ALA B 372
PRO B 389
 None
 1.26A 3cwkA-2xdqB:
undetectable		 3cwkA-2xdqB:
14.38
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 LEU A  89
PRO A 177
VAL A 204
THR A 206
VAL A  38
 None
 1.25A 3cwkA-2xdrA:
undetectable		 3cwkA-2xdrA:
17.66
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.
2xt9 PUTATIVE SIGNAL
TRANSDUCTION PROTEIN
GARA

(Mycolicibacterium
smegmatis) 		PF00498
(FHA) 		5 PHE B 100
LEU B  57
ALA B  98
VAL B 125
THR B 118
 None
 1.23A 3cwkA-2xt9B:
2.1		 3cwkA-2xt9B:
25.18
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.
2ytu FRIEND LEUKEMIA
INTEGRATION 1
TRANSCRIPTION FACTOR

(Homo sapiens) 		PF02198
(SAM_PNT) 		5 PHE A  67
LEU A  50
LEU A  59
ALA A  86
GLU A  74
 None
 1.20A 3cwkA-2ytuA:
undetectable		 3cwkA-2ytuA:
21.92
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 LEU A  80
ALA A 120
VAL A 136
THR A 142
VAL A 143
 None
 1.23A 3cwkA-2zy2A:
undetectable		 3cwkA-2zy2A:
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 LEU A  80
LEU A 122
ALA A 120
THR A 142
VAL A 143
 None
 1.25A 3cwkA-2zy2A:
undetectable		 3cwkA-2zy2A:
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.
3b0b CENTROMERE PROTEIN S
CENTROMERE PROTEIN X

(Gallus gallus) 		PF09415
(CENP-X)
no annotation 		5 PHE C  43
LEU C  75
ALA C  47
VAL B  20
THR B  24
 None
 1.19A 3cwkA-3b0bC:
undetectable		 3cwkA-3b0bC:
19.59
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.
3bk5 PUTATIVE OUTER
MEMBRANE
LIPOPROTEIN-SORTING
PROTEIN

(Vibrio
parahaemolyticus) 		PF17131
(LolA_like) 		5 PHE A 116
LEU A   4
ALA A   7
PRO A 164
VAL A 167
 None
 1.22A 3cwkA-3bk5A:
3.0		 3cwkA-3bk5A:
17.72
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.
3cjy PUTATIVE
THIOESTERASE

(Novosphingobium
aromaticivorans) 		PF13622
(4HBT_3) 		5 PHE A 100
LEU A  60
LEU A  44
ALA A  43
VAL A  20
 None
 1.21A 3cwkA-3cjyA:
2.8		 3cwkA-3cjyA:
18.18
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.
3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Geobacter
sulfurreducens) 		PF00440
(TetR_N) 		5 PHE A  61
LEU A  98
ALA A 120
PRO A 119
VAL A 124
 None
None
None
None
ACY  A 209 ( 4.7A)
 1.14A 3cwkA-3dewA:
undetectable		 3cwkA-3dewA:
22.22
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		5 PHE A1316
LEU A1244
ALA A1320
PRO A1166
VAL A1253
 None
 1.25A 3cwkA-3f5fA:
undetectable		 3cwkA-3f5fA:
11.48
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 LEU A 119
ALA A  31
THR A  41
VAL A  18
GLU A  81
 None
 1.01A 3cwkA-3f8rA:
undetectable		 3cwkA-3f8rA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 PHE A 332
LEU A 384
ALA A 380
VAL A 624
VAL A 375
 None
 1.26A 3cwkA-3fqdA:
undetectable		 3cwkA-3fqdA:
10.06
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.
3fyn INTEGRON GENE
CASSETTE PROTEIN
HFX_CASS3

(uncultured
bacterium) 		PF00583
(Acetyltransf_1) 		5 LEU A  43
ALA A  39
ALA A  35
PRO A  32
GLU A 154
 None
 1.24A 3cwkA-3fynA:
undetectable		 3cwkA-3fynA:
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 PHE A 100
LEU A  96
ALA A 116
ALA A 113
VAL A  26
 None
 1.21A 3cwkA-3gwjA:
undetectable		 3cwkA-3gwjA:
11.06
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.
3kby PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10804
(DUF2538) 		5 LEU A  56
ALA A  52
ALA A 101
VAL A 107
THR A 105
 None
 1.11A 3cwkA-3kbyA:
undetectable		 3cwkA-3kbyA:
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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU C  48
ALA C 139
VAL C 116
THR C 113
VAL C 109
 None
 0.97A 3cwkA-3mg0C:
1.6		 3cwkA-3mg0C:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 372
ALA A 368
ALA A 364
PRO A 361
VAL A 359
 None
 1.14A 3cwkA-3mogA:
undetectable		 3cwkA-3mogA:
16.83
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 LEU A  50
ALA A  44
VAL A  66
GLU A 180
LYS A 327
 None
 1.18A 3cwkA-3n0qA:
0.9		 3cwkA-3n0qA:
16.02
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.
3nwn KINESIN-LIKE PROTEIN
KIF9

(Homo sapiens) 		PF00225
(Kinesin) 		5 LEU A 116
ALA A 191
THR A 185
VAL A 137
GLU A 197
 None
 0.98A 3cwkA-3nwnA:
undetectable		 3cwkA-3nwnA:
17.44
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.
3nyf D-ARGININE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		5 PHE A1248
LEU A1244
ALA A1289
VAL A1127
VAL A1133
 None
 1.17A 3cwkA-3nyfA:
undetectable		 3cwkA-3nyfA:
15.83
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 LEU B 175
LEU B 241
PRO B 159
THR B 258
VAL B 260
 None
 1.14A 3cwkA-3pdiB:
undetectable		 3cwkA-3pdiB:
12.01
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.
3pnr PBICP-C

(Plasmodium
berghei) 		PF09394
(Inhibitor_I42)
PF12628
(Inhibitor_I71) 		5 PHE B 253
LEU B 239
ALA B 344
THR B 207
GLU B 251
 None
 1.24A 3cwkA-3pnrB:
undetectable		 3cwkA-3pnrB:
20.94
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.
3q91 URIDINE DIPHOSPHATE
GLUCOSE
PYROPHOSPHATASE

(Homo sapiens) 		no annotation 5 LEU A 136
LEU A 115
ALA A 119
ALA A 123
VAL A  58
 None
 1.23A 3cwkA-3q91A:
undetectable		 3cwkA-3q91A:
21.92
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.
3s5p RIBOSE 5-PHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF02502
(LacAB_rpiB) 		5 PHE A 123
LEU A  85
ALA A  84
ALA A 101
VAL A  53
 None
 1.22A 3cwkA-3s5pA:
undetectable		 3cwkA-3s5pA:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v75 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Streptomyces
avermitilis) 		PF00215
(OMPdecase) 		5 LEU A 262
ALA A 266
ALA A 270
PRO A  19
VAL A  22
 None
 1.19A 3cwkA-3v75A:
undetectable		 3cwkA-3v75A:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 LEU A 702
ALA A 558
VAL A 553
ARG A 554
GLU A 569
 None
 1.25A 3cwkA-3wnpA:
undetectable		 3cwkA-3wnpA:
10.81
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.
4amg SNOGD

(Streptomyces
nogalater) 		PF06722
(DUF1205) 		5 ALA A 106
ALA A 130
PRO A 132
VAL A 122
THR A 134
 None
 1.22A 3cwkA-4amgA:
undetectable		 3cwkA-4amgA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asc KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF01344
(Kelch_1) 		5 PHE A 321
LEU A 613
ALA A 341
ALA A 328
VAL A 347
 None
None
CSO  A 340 ( 3.6A)
None
None
 1.13A 3cwkA-4ascA:
undetectable		 3cwkA-4ascA:
19.93
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.
4c2l ENDO-XYLOGALACTURONA
N HYDROLASE A

(Aspergillus
tubingensis) 		PF00295
(Glyco_hydro_28) 		5 PHE A 376
LEU A 388
ALA A 359
ALA A 315
THR A 350
 None
 1.14A 3cwkA-4c2lA:
undetectable		 3cwkA-4c2lA:
15.49
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 LEU A 176
LEU A 175
ALA A 161
THR A 165
VAL A 172
 None
 1.17A 3cwkA-4cmrA:
undetectable		 3cwkA-4cmrA:
12.73
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.
4f47 ENOYL-COA HYDRATASE
ECHA19

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 PHE A 144
ALA A 187
ALA A 184
VAL A 197
GLU A 119
 None
 1.26A 3cwkA-4f47A:
undetectable		 3cwkA-4f47A:
18.38
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.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 PHE A  86
LEU A  21
ALA A  23
ALA A 226
VAL A 244
 None
 1.19A 3cwkA-4fgsA:
undetectable		 3cwkA-4fgsA:
20.07
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 PHE A 165
ALA A 189
ALA A 194
THR A 197
VAL A 161
 None
 1.17A 3cwkA-4ggpA:
undetectable		 3cwkA-4ggpA:
17.81
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.
4h89 GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		5 PHE A  91
ALA A  89
ALA A  73
VAL A   8
THR A  60
 None
 1.03A 3cwkA-4h89A:
undetectable		 3cwkA-4h89A:
20.10
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.
4heh APPA PROTEIN

(Rhodobacter
sphaeroides) 		no annotation 5 LEU A 390
ALA A 293
PRO A 286
VAL A 281
VAL A 306
 None
 1.25A 3cwkA-4hehA:
undetectable		 3cwkA-4hehA:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i9r CELLULAR RETINOIC
ACID-BINDING PROTEIN
2

(Homo sapiens) 		PF00061
(Lipocalin) 		5 PHE A  15
LEU A  19
PRO A  39
VAL A  54
THR A  56
 RET  A 201 (-4.4A)
None
RET  A 201 (-4.0A)
RET  A 201 ( 4.8A)
None
 0.87A 3cwkA-4i9rA:
24.8		 3cwkA-4i9rA:
96.35
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.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		5 LEU A 364
ALA A 334
THR A 381
VAL A 378
ARG A 377
 None
 1.18A 3cwkA-4iwsA:
undetectable		 3cwkA-4iwsA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lda TADZ

(Pseudomonas
aeruginosa) 		PF16968
(TadZ_N) 		5 LEU A  90
ALA A  94
ALA A  81
VAL A  67
GLU A  14
 None
 1.02A 3cwkA-4ldaA:
undetectable		 3cwkA-4ldaA:
21.77
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 LEU A 103
ALA A 106
ALA A 111
VAL A  50
GLU A 139
 None
 1.13A 3cwkA-4lrsA:
undetectable		 3cwkA-4lrsA:
16.34
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 LEU A 103
ALA A 106
VAL A  50
VAL A  77
GLU A 139
 None
 1.06A 3cwkA-4lrsA:
undetectable		 3cwkA-4lrsA:
16.34
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.
4o1i TRANSCRIPTIONAL
REGULATORY PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  37
ALA A  40
ALA A  43
VAL A 112
VAL A  46
 None
 1.25A 3cwkA-4o1iA:
undetectable		 3cwkA-4o1iA:
19.46
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.
4olq ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Hyphomonas
neptunium) 		PF00378
(ECH_1) 		5 PHE A 131
ALA A 174
ALA A 171
VAL A 184
GLU A 106
 None
 1.23A 3cwkA-4olqA:
undetectable		 3cwkA-4olqA:
21.37
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.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		5 PHE A  92
LEU A 130
ALA A 209
VAL A 221
VAL A 218
 None
 1.20A 3cwkA-4pxlA:
undetectable		 3cwkA-4pxlA:
13.88
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 LEU B 262
ALA B 265
ALA B 268
THR B 310
VAL B 325
 None
 1.20A 3cwkA-4tx2B:
undetectable		 3cwkA-4tx2B:
17.21
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.
4uel PROTEASOMAL
UBIQUITIN RECEPTOR
ADRM1

(Homo sapiens) 		PF16550
(RPN13_C) 		5 PHE C 377
LEU C 347
ALA C 369
ALA C 365
PRO C 362
 None
 1.26A 3cwkA-4uelC:
undetectable		 3cwkA-4uelC:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wlq PROTEASOMAL
UBIQUITIN RECEPTOR
ADRM1

(Homo sapiens) 		PF16550
(RPN13_C) 		5 PHE B 377
LEU B 347
ALA B 369
ALA B 365
PRO B 362
 None
 1.05A 3cwkA-4wlqB:
undetectable		 3cwkA-4wlqB:
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.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 LEU A  52
VAL A 162
THR A 164
VAL A 166
GLU A  77
 None
 1.13A 3cwkA-4x2rA:
undetectable		 3cwkA-4x2rA:
18.50
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.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 PHE A 293
LEU A  51
LEU A   8
ALA A  25
GLU A 289
 None
 1.19A 3cwkA-4xcvA:
undetectable		 3cwkA-4xcvA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y2w ALANINE RACEMASE 1

(Caldanaerobacter
subterraneus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 211
ALA A 209
VAL A  38
VAL A 223
ARG A 224
 None
PO4  A 401 (-3.1A)
None
None
None
 1.11A 3cwkA-4y2wA:
undetectable		 3cwkA-4y2wA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		no annotation 5 LEU A 121
LEU A 473
ALA A 115
ALA A  55
PRO A  49
 None
 1.25A 3cwkA-4yubA:
undetectable		 3cwkA-4yubA:
13.53
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 LEU A 419
ALA A 509
PRO A 372
THR A 498
VAL A 480
 None
 1.26A 3cwkA-4zm6A:
undetectable		 3cwkA-4zm6A:
10.04
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.
5avo HOMOSERINE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 LEU A 154
LEU A 235
ALA A 237
ALA A 239
VAL A 213
 None
 1.14A 3cwkA-5avoA:
undetectable		 3cwkA-5avoA:
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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 PHE A 110
LEU A  39
ALA A  85
ALA A  97
PRO A 114
 None
 1.20A 3cwkA-5ay9A:
undetectable		 3cwkA-5ay9A:
16.75
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.
5chl HISTONE H2A.Z

(Homo sapiens) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 LEU B 160
LEU B 162
ALA B 143
THR B  21
VAL B 152
 None
 1.22A 3cwkA-5chlB:
undetectable		 3cwkA-5chlB:
22.34
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 PHE A 237
LEU A 182
ALA A 222
ALA A 225
THR A 244
 None
 1.17A 3cwkA-5cm5A:
undetectable		 3cwkA-5cm5A:
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.
5d6a PREDICTED ATPASE OF
THE ABC CLASS

(Vibrio
vulnificus) 		PF09818
(ABC_ATPase) 		5 PHE A 209
LEU A 250
ALA A 406
ALA A 211
VAL A 217
 None
 1.24A 3cwkA-5d6aA:
1.2		 3cwkA-5d6aA:
12.74
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 LEU A 120
LEU A 212
ALA A 207
ALA A 174
GLU A 146
 None
None
None
SAH  A 409 (-3.9A)
SAH  A 409 (-2.6A)
 1.08A 3cwkA-5fubA:
1.7		 3cwkA-5fubA:
19.35
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 PHE A 506
LEU A 507
ALA A 502
PRO A 706
VAL A 710
 None
 1.22A 3cwkA-5gamA:
undetectable		 3cwkA-5gamA:
10.94
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 PHE A 917
LEU A 921
LEU A 928
THR A 901
GLU A 878
 None
 0.92A 3cwkA-5j6sA:
undetectable		 3cwkA-5j6sA:
10.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 LEU A   7
ALA A 245
ALA A 144
VAL A 133
VAL A 146
 None
None
EDO  A 302 (-3.6A)
None
None
 1.13A 3cwkA-5jc8A:
undetectable		 3cwkA-5jc8A:
15.94
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.
5o71 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25

(Homo sapiens) 		no annotation 5 LEU A 552
ALA A 455
ALA A 459
PRO A 537
GLU A 544
 None
 1.13A 3cwkA-5o71A:
undetectable		 3cwkA-5o71A:
20.63
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 LEU A 229
ALA A 143
ALA A 189
PRO A 423
VAL A 427
 None
 1.20A 3cwkA-5uldA:
undetectable		 3cwkA-5uldA:
15.38
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 418
ALA A 126
ALA A 124
VAL A 148
THR A 146
 None
 1.25A 3cwkA-5vrbA:
undetectable		 3cwkA-5vrbA:
12.74
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 5 LEU M 108
ALA M 112
ALA M  20
PRO M  22
VAL M  25
 None
 1.12A 3cwkA-5x41M:
undetectable		 3cwkA-5x41M:
19.72
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.
5xez GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme)
PF02793
(HRM) 		5 PHE A 181
LEU A 395
ALA A 397
ALA A 159
VAL A 407
 None
 1.10A 3cwkA-5xezA:
undetectable		 3cwkA-5xezA:
12.34
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.
5xv7 SERINE-ARGININE (SR)
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 5 PHE A 626
LEU A 630
ALA A 541
ALA A 545
GLU A 622
 None
 1.09A 3cwkA-5xv7A:
undetectable		 3cwkA-5xv7A:
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 PHE A1807
LEU A1776
ALA A1847
ALA A1805
VAL A1744
 None
 0.98A 3cwkA-6bq1A:
undetectable		 3cwkA-6bq1A:
0.00
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 LEU A 314
ALA A  14
PRO A  17
VAL A  74
THR A  20
 None
None
ACP  A 500 ( 4.6A)
None
ACP  A 500 ( 3.9A)
 1.27A 3cwkA-6ci7A:
undetectable		 3cwkA-6ci7A:
17.27
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 PHE A1126
LEU A1130
LEU A1150
ALA A1154
ALA A1158
 None
 1.01A 3cwkA-6cipA:
0.0		 3cwkA-6cipA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Deinococcus
radiodurans;
Synechocystis
sp. PCC 6803) 		no annotation 5 LEU A 357
ALA A 341
ALA A 339
THR A 497
GLU A 490
 None
 1.24A 3cwkA-6fhtA:
undetectable		 3cwkA-6fhtA:
19.84