SIMILAR PATTERNS OF AMINO ACIDS FOR 2J2P_B_SC2B1294

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.
1eak 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 GLY A 418
LEU A 420
SER A 434
ASP A 436
ASP A 416
 None
 1.37A 2j2pB-1eakA:
0.0
2j2pC-1eakA:
0.0		 2j2pB-1eakA:
17.95
2j2pC-1eakA:
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE

(Pyrococcus
woesei) 		PF00121
(TIM)
PF05690
(ThiG) 		5 GLY A 152
LEU A 204
SER A 186
LEU A 221
ASP A 190
 None
 1.31A 2j2pB-1hg3A:
undetectable
2j2pC-1hg3A:
undetectable		 2j2pB-1hg3A:
20.08
2j2pC-1hg3A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mky PROBABLE GTP-BINDING
PROTEIN ENGA

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 VAL A  12
GLY A   8
LEU A  86
LEU A  53
ASP A  55
 PO4  A 601 (-4.1A)
None
None
None
None
 1.01A 2j2pB-1mkyA:
0.0
2j2pC-1mkyA:
undetectable		 2j2pB-1mkyA:
18.00
2j2pC-1mkyA:
18.00
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.
1nr0 ACTIN INTERACTING
PROTEIN 1

(Caenorhabditis
elegans) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 VAL A  23
SER A 195
LEU A 245
ASP A 154
ASP A 108
 None
None
None
MN  A 700 (-2.6A)
None
 1.37A 2j2pB-1nr0A:
0.0
2j2pC-1nr0A:
0.0		 2j2pB-1nr0A:
16.02
2j2pC-1nr0A:
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.
1or7 RNA POLYMERASE
SIGMA-E FACTOR
SIGMA-E FACTOR
NEGATIVE REGULATORY
PROTEIN

(Escherichia
coli) 		PF03872
(RseA_N)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 GLY C  45
SER C  42
LEU A 127
LEU C  51
ASP C  46
 None
 1.45A 2j2pB-1or7C:
undetectable
2j2pC-1or7C:
undetectable		 2j2pB-1or7C:
15.00
2j2pC-1or7C:
15.00
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.
1qs1 ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		5 GLY A 383
LEU A 431
SER A 435
LEU A 459
ASP A 434
 None
 1.44A 2j2pB-1qs1A:
undetectable
2j2pC-1qs1A:
0.0		 2j2pB-1qs1A:
16.85
2j2pC-1qs1A:
16.85
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 VAL A 218
GLY A 170
SER A 171
LEU A 173
LEU A 384
 None
 1.43A 2j2pB-1zj9A:
0.0
2j2pC-1zj9A:
0.0		 2j2pB-1zj9A:
16.46
2j2pC-1zj9A:
16.46
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.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 136
SER A 137
LEU A 133
LEU A  15
ASP A  10
 None
 1.35A 2j2pB-2b42A:
0.0
2j2pC-2b42A:
0.0		 2j2pB-2b42A:
19.48
2j2pC-2b42A:
19.48
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.
2cjw GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A  86
GLY A  82
LEU A 154
LEU A 129
ASP A 131
 GDP  A 999 (-4.1A)
None
None
None
MG  A1000 ( 4.1A)
 1.01A 2j2pB-2cjwA:
0.0
2j2pC-2cjwA:
0.0		 2j2pB-2cjwA:
21.15
2j2pC-2cjwA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER A 129
LEU A 145
ASP A 147
ASP A 149
GLU A 320
 None
 0.39A 2j2pB-2d39A:
33.3
2j2pC-2d39A:
33.2		 2j2pB-2d39A:
81.65
2j2pC-2d39A:
81.65
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 VAL A 574
GLY A 459
ASP A 402
ASP A 571
GLU A 400
 None
None
None
None
ANP  A2901 (-4.3A)
 1.20A 2j2pB-2db3A:
undetectable
2j2pC-2db3A:
undetectable		 2j2pB-2db3A:
17.93
2j2pC-2db3A:
17.93
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.
2dyk GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1) 		5 GLY A  89
LEU A 113
LEU A 133
ASP A  97
ASP A  88
 None
 1.24A 2j2pB-2dykA:
undetectable
2j2pC-2dykA:
undetectable		 2j2pB-2dykA:
19.00
2j2pC-2dykA:
19.00
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.
2dyk GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1) 		5 VAL A  12
GLY A   8
LEU A  84
LEU A  53
ASP A  55
 GDP  A 501 (-4.1A)
None
None
None
GDP  A 501 ( 4.9A)
 1.11A 2j2pB-2dykA:
undetectable
2j2pC-2dykA:
undetectable		 2j2pB-2dykA:
19.00
2j2pC-2dykA:
19.00
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		5 GLY A 205
SER A 206
LEU A 209
SER A 207
ASP A 231
 None
 1.31A 2j2pB-2fvzA:
undetectable
2j2pC-2fvzA:
undetectable		 2j2pB-2fvzA:
19.49
2j2pC-2fvzA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ht6 GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A  86
GLY A  82
LEU A 154
LEU A 129
ASP A 131
 GDP  A 545 (-4.1A)
None
None
None
MG  A 344 ( 4.1A)
 0.94A 2j2pB-2ht6A:
undetectable
2j2pC-2ht6A:
undetectable		 2j2pB-2ht6A:
21.43
2j2pC-2ht6A:
21.43
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.
2j0a BETA-1,3-N-ACETYLGLU
COSAMINYLTRANSFERASE
MANIC FRINGE

(Mus musculus) 		PF02434
(Fringe) 		5 GLY A 198
SER A 255
SER A 275
ASP A 144
ASP A 142
 None
 1.43A 2j2pB-2j0aA:
undetectable
2j2pC-2j0aA:
undetectable		 2j2pB-2j0aA:
22.34
2j2pC-2j0aA:
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.
2lvv FLAGELLAR
CALCIUM-BINDING
PROTEIN TB-24

(Trypanosoma
brucei) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 GLY A 146
SER A 147
LEU A 149
ASP A 145
GLU A 154
 None
 1.47A 2j2pB-2lvvA:
undetectable
2j2pC-2lvvA:
undetectable		 2j2pB-2lvvA:
19.58
2j2pC-2lvvA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mj3 IRON-SULFUR CLUSTER
BINDING PROTEIN

(Ehrlichia
chaffeensis) 		PF00111
(Fer2) 		5 GLY A  11
SER A   8
LEU A 103
ASP A  10
GLU A 106
 None
 1.39A 2j2pB-2mj3A:
undetectable
2j2pC-2mj3A:
undetectable		 2j2pB-2mj3A:
18.35
2j2pC-2mj3A:
18.35
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.
2obm ESCN

(Escherichia
coli) 		PF00006
(ATP-synt_ab) 		5 GLY A 188
LEU A 215
LEU A 203
ASP A 266
GLU A 206
 None
 1.13A 2j2pB-2obmA:
undetectable
2j2pC-2obmA:
undetectable		 2j2pB-2obmA:
20.73
2j2pC-2obmA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 124
SER A 125
LEU A 140
LEU A  17
ASP A  99
 None
 1.19A 2j2pB-2p4qA:
undetectable
2j2pC-2p4qA:
undetectable		 2j2pB-2p4qA:
18.22
2j2pC-2p4qA:
18.22
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.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 VAL B 380
GLY B 111
ASP B  51
ASP B  47
GLU B  54
 None
 1.38A 2j2pB-2q2eB:
undetectable
2j2pC-2q2eB:
undetectable		 2j2pB-2q2eB:
16.19
2j2pC-2q2eB:
16.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER F 100
LEU F 116
ASP F 118
ASP F 120
GLU F 291
 None
 0.48A 2j2pB-2wnpF:
40.5
2j2pC-2wnpF:
39.7		 2j2pB-2wnpF:
83.49
2j2pC-2wnpF:
83.49
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.
3cit SENSOR HISTIDINE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 VAL A  58
LEU A 151
SER A 147
LEU A  31
ASP A 144
 None
 1.37A 2j2pB-3citA:
undetectable
2j2pC-3citA:
undetectable		 2j2pB-3citA:
19.73
2j2pC-3citA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 GLY A 131
SER A 180
LEU A 141
SER A 181
ASP A 130
 None
 1.18A 2j2pB-3d8kA:
undetectable
2j2pC-3d8kA:
undetectable		 2j2pB-3d8kA:
20.73
2j2pC-3d8kA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hd8 XYLANASE INHIBITOR

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 138
SER A 139
LEU A 135
LEU A  17
ASP A  12
 None
 1.36A 2j2pB-3hd8A:
undetectable
2j2pC-3hd8A:
undetectable		 2j2pB-3hd8A:
18.43
2j2pC-3hd8A:
18.43
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 VAL A  53
GLY A 105
LEU A 101
ASP A 102
ASP A 104
 None
5RP  A 501 (-3.5A)
None
None
5RP  A 501 (-4.0A)
 1.43A 2j2pB-3hheA:
undetectable
2j2pC-3hheA:
undetectable		 2j2pB-3hheA:
23.85
2j2pC-3hheA:
23.85
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 137
SER A 306
LEU A 212
ASP A 305
ASP A 307
 None
 1.46A 2j2pB-3mi9A:
undetectable
2j2pC-3mi9A:
undetectable		 2j2pB-3mi9A:
17.87
2j2pC-3mi9A:
17.87
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.
3msx RHO
GTPASE-ACTIVATING
PROTEIN 20

(Homo sapiens) 		PF00620
(RhoGAP) 		5 GLY B 443
SER B 444
LEU B 518
SER B 448
ASP B 449
 None
 1.45A 2j2pB-3msxB:
undetectable
2j2pC-3msxB:
undetectable		 2j2pB-3msxB:
22.55
2j2pC-3msxB:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 GLY A 205
SER A 206
LEU A 208
SER A 203
ASP A 204
 None
SCN  A 604 (-3.7A)
SCN  A 604 ( 3.9A)
NAD  A 501 (-2.9A)
None
 1.27A 2j2pB-3pvzA:
undetectable
2j2pC-3pvzA:
undetectable		 2j2pB-3pvzA:
18.41
2j2pC-3pvzA:
18.41
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		5 GLY A  10
LEU A 157
SER A 153
LEU A 203
ASP A 152
 None
 1.48A 2j2pB-3r9jA:
undetectable
2j2pC-3r9jA:
undetectable		 2j2pB-3r9jA:
21.25
2j2pC-3r9jA:
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.
3rht (GATASE1)-LIKE
PROTEIN

(Planctopirus
limnophila) 		PF07090
(GATase1_like) 		5 GLY A  83
SER A  54
LEU A  19
ASP A   9
ASP A  55
 None
CA  A 257 ( 4.0A)
None
CA  A 257 (-3.2A)
GOL  A 260 ( 2.7A)
 1.49A 2j2pB-3rhtA:
undetectable
2j2pC-3rhtA:
undetectable		 2j2pB-3rhtA:
21.72
2j2pC-3rhtA:
21.72
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 VAL A  21
GLY A 235
LEU A 296
LEU A 270
ASP A 236
 None
 1.22A 2j2pB-3rmtA:
undetectable
2j2pC-3rmtA:
undetectable		 2j2pB-3rmtA:
17.52
2j2pC-3rmtA:
17.52
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 178
LEU A   6
SER A 174
LEU A 130
ASP A 177
 None
 1.44A 2j2pB-3t6sA:
undetectable
2j2pC-3t6sA:
undetectable		 2j2pB-3t6sA:
20.06
2j2pC-3t6sA:
20.06
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.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 GLY A 150
LEU A 148
SER A 143
LEU A 140
ASP A 151
 None
 1.45A 2j2pB-3w8sA:
undetectable
2j2pC-3w8sA:
undetectable		 2j2pB-3w8sA:
24.05
2j2pC-3w8sA:
24.05
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 VAL A 208
GLY A 188
LEU A 250
LEU A 265
ASP A 210
 None
SAM  A1349 ( 4.0A)
None
None
SAM  A1349 (-2.9A)
 1.47A 2j2pB-4a6eA:
undetectable
2j2pC-4a6eA:
undetectable		 2j2pB-4a6eA:
20.72
2j2pC-4a6eA:
20.72
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 VAL A 477
GLY A 491
SER A 490
LEU A 244
LEU A 374
 None
 1.25A 2j2pB-4bx9A:
undetectable
2j2pC-4bx9A:
undetectable		 2j2pB-4bx9A:
18.57
2j2pC-4bx9A:
18.57
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 932
SER A 931
LEU A 970
ASP A 838
ASP A 840
 None
None
None
NA  A2036 (-2.7A)
ZN  A2034 (-2.0A)
 1.32A 2j2pB-4cbyA:
undetectable
2j2pC-4cbyA:
undetectable		 2j2pB-4cbyA:
19.33
2j2pC-4cbyA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 VAL A 178
GLY A  89
SER A 181
LEU A 227
SER A 169
 None
 1.32A 2j2pB-4cp8A:
undetectable
2j2pC-4cp8A:
undetectable		 2j2pB-4cp8A:
17.42
2j2pC-4cp8A:
17.42
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.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		5 VAL A 135
GLY A 133
SER A  47
LEU A  50
SER A  44
 None
 1.42A 2j2pB-4dqnA:
undetectable
2j2pC-4dqnA:
undetectable		 2j2pB-4dqnA:
21.13
2j2pC-4dqnA:
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.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 GLY A 175
SER A 172
ASP A 171
ASP A  12
GLU A  21
 CIT  A 301 ( 4.3A)
CIT  A 301 ( 4.2A)
NA  A 302 (-2.8A)
CIT  A 301 ( 2.7A)
None
 1.49A 2j2pB-4eelA:
undetectable
2j2pC-4eelA:
undetectable		 2j2pB-4eelA:
22.26
2j2pC-4eelA:
22.26
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.
4inq OXYSTEROL-BINDING
PROTEIN HOMOLOG 3

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		5 GLY A 827
SER A 825
LEU A 794
SER A 824
ASP A 828
 None
 1.40A 2j2pB-4inqA:
undetectable
2j2pC-4inqA:
undetectable		 2j2pB-4inqA:
19.07
2j2pC-4inqA:
19.07
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.
4kss TYPE II SECRETION
SYSTEM PROTEIN E,
HEMOLYSIN-COREGULATE
D PROTEIN

(Pseudomonas
aeruginosa;
Vibrio cholerae) 		PF00437
(T2SSE)
PF05638
(T6SS_HCP) 		5 GLY A 258
SER A 348
LEU A 349
SER A 383
LEU A 379
 None
 1.49A 2j2pB-4kssA:
undetectable
2j2pC-4kssA:
undetectable		 2j2pB-4kssA:
15.91
2j2pC-4kssA:
15.91
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.
4kss TYPE II SECRETION
SYSTEM PROTEIN E,
HEMOLYSIN-COREGULATE
D PROTEIN

(Pseudomonas
aeruginosa;
Vibrio cholerae) 		PF00437
(T2SSE)
PF05638
(T6SS_HCP) 		5 VAL A 354
GLY A 258
LEU A 349
SER A 383
LEU A 379
 None
 1.45A 2j2pB-4kssA:
undetectable
2j2pC-4kssA:
undetectable		 2j2pB-4kssA:
15.91
2j2pC-4kssA:
15.91
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLY A 677
LEU A 672
SER A 675
LEU A 701
ASP A 678
 None
 1.46A 2j2pB-4lixA:
undetectable
2j2pC-4lixA:
undetectable		 2j2pB-4lixA:
14.64
2j2pC-4lixA:
14.64
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.
4nbg TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE

(Janthinobacterium
sp. J3) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 GLY A 223
LEU A 266
LEU A 368
ASP A 218
ASP A 219
 None
 0.97A 2j2pB-4nbgA:
undetectable
2j2pC-4nbgA:
undetectable		 2j2pB-4nbgA:
20.51
2j2pC-4nbgA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		5 VAL A 254
GLY A 275
SER A 281
LEU A  45
ASP A  41
 None
 0.93A 2j2pB-4novA:
undetectable
2j2pC-4novA:
undetectable		 2j2pB-4novA:
20.23
2j2pC-4novA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r9j FICOLIN-2

(Homo sapiens) 		no annotation 5 SER G  91
LEU G 107
ASP G 109
ASP G 111
GLU G 282
 None
 0.32A 2j2pB-4r9jG:
41.0
2j2pC-4r9jG:
40.2		 2j2pB-4r9jG:
99.08
2j2pC-4r9jG:
99.08
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		5 VAL A 453
SER A 538
LEU A 192
ASP A 503
GLU A 506
 None
CA  A 802 ( 4.9A)
None
CA  A 801 (-3.3A)
CA  A 801 ( 3.1A)
 1.11A 2j2pB-4wisA:
undetectable
2j2pC-4wisA:
undetectable		 2j2pB-4wisA:
14.70
2j2pC-4wisA:
14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster) 		PF00004
(AAA)
PF09079
(Cdc6_C)
PF13191
(AAA_16)
PF14629
(ORC4_C) 		5 GLY D  59
SER D  60
SER D 297
ASP D 295
GLU A 833
 None
 1.08A 2j2pB-4xgcD:
undetectable
2j2pC-4xgcD:
undetectable		 2j2pB-4xgcD:
20.27
2j2pC-4xgcD:
20.27
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.
5a7y TRNA
(ADENINE(9)-N1)-METH
YLTRANSFERASE

(Sulfolobus
acidocaldarius) 		no annotation 5 SER A  30
LEU A  31
SER A  27
LEU A  60
ASP A  55
 None
 1.31A 2j2pB-5a7yA:
undetectable
2j2pC-5a7yA:
undetectable		 2j2pB-5a7yA:
20.94
2j2pC-5a7yA:
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 222
GLY A 219
LEU A 216
SER A 244
LEU A 261
 None
FAD  A 701 (-3.5A)
None
FAD  A 701 (-2.5A)
None
 1.46A 2j2pB-5ahkA:
undetectable
2j2pC-5ahkA:
undetectable		 2j2pB-5ahkA:
16.61
2j2pC-5ahkA:
16.61
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		5 GLY A 352
SER A 355
LEU A 358
LEU A 328
ASP A 350
 None
 1.34A 2j2pB-5ck7A:
undetectable
2j2pC-5ck7A:
undetectable		 2j2pB-5ck7A:
17.41
2j2pC-5ck7A:
17.41
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.
5d6a PREDICTED ATPASE OF
THE ABC CLASS

(Vibrio
vulnificus) 		PF09818
(ABC_ATPase) 		5 GLY A 525
SER A 106
SER A  95
ASP A 483
ASP A 526
 None
 1.50A 2j2pB-5d6aA:
undetectable
2j2pC-5d6aA:
undetectable		 2j2pB-5d6aA:
15.26
2j2pC-5d6aA:
15.26
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.
5dbj FADH2-DEPENDENT
HALOGENASE PLTA

(Pseudomonas
protegens) 		no annotation 5 VAL E  33
GLY E  13
SER E  18
LEU E 130
LEU E 333
 None
FAD  E 501 ( 4.9A)
None
None
None
 1.49A 2j2pB-5dbjE:
undetectable
2j2pC-5dbjE:
undetectable		 2j2pB-5dbjE:
19.09
2j2pC-5dbjE:
19.09
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.
5dn6 ATP SYNTHASE SUBUNIT
ALPHA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 VAL A 142
GLY A 162
LEU A 313
SER A 321
ASP A 264
 None
 1.24A 2j2pB-5dn6A:
undetectable
2j2pC-5dn6A:
undetectable		 2j2pB-5dn6A:
17.64
2j2pC-5dn6A:
17.64
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.
5dt9 ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Vibrio cholerae) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 VAL A  52
GLY A  33
LEU A  59
LEU A  41
ASP A  12
 SO4  A 404 ( 4.9A)
None
None
None
None
 1.36A 2j2pB-5dt9A:
undetectable
2j2pC-5dt9A:
undetectable		 2j2pB-5dt9A:
19.95
2j2pC-5dt9A:
19.95
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.
5g1q CLP PROTEASE
PROTEOLYTIC SUBUNIT
P

(Francisella
tularensis) 		PF00574
(CLP_protease) 		5 VAL A  39
GLY A  71
LEU A 105
SER A 101
LEU A 153
 None
 1.30A 2j2pB-5g1qA:
undetectable
2j2pC-5g1qA:
undetectable		 2j2pB-5g1qA:
22.41
2j2pC-5g1qA:
22.41
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A 505
SER A 504
LEU A 655
SER A 502
LEU A 380
 None
 1.35A 2j2pB-5jjrA:
undetectable
2j2pC-5jjrA:
undetectable		 2j2pB-5jjrA:
12.07
2j2pC-5jjrA:
12.07
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.
5k5m RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		5 GLY A 506
SER A 505
LEU A 655
SER A 503
LEU A 381
 None
 1.42A 2j2pB-5k5mA:
undetectable
2j2pC-5k5mA:
undetectable		 2j2pB-5k5mA:
15.85
2j2pC-5k5mA:
15.85
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-2

(Homo sapiens) 		no annotation 5 VAL H  29
GLY H  78
LEU H 134
LEU H  86
ASP H  82
 None
 1.20A 2j2pB-5vfrH:
undetectable
2j2pC-5vfrH:
undetectable		 2j2pB-5vfrH:
undetectable
2j2pC-5vfrH:
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 234
LEU A 432
SER A  76
ASP A   6
ASP A 235
 None
 1.40A 2j2pB-5vm1A:
undetectable
2j2pC-5vm1A:
undetectable		 2j2pB-5vm1A:
19.65
2j2pC-5vm1A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8j THYMIDYLATE KINASE

(Thermus
thermophilus) 		no annotation 5 GLY A  13
SER A  14
LEU A 130
ASP A  12
GLU A   9
 FMT  A 201 (-3.3A)
FMT  A 201 (-4.9A)
None
None
None
 1.41A 2j2pB-5x8jA:
undetectable
2j2pC-5x8jA:
undetectable		 2j2pB-5x8jA:
16.97
2j2pC-5x8jA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 360
SER A 359
SER A 356
LEU A  96
GLU A 398
 None
 1.45A 2j2pB-5xh9A:
undetectable
2j2pC-5xh9A:
undetectable		 2j2pB-5xh9A:
16.56
2j2pC-5xh9A:
16.56
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.
5xr2 PROTEIN/NUCLEIC ACID
DEGLYCASE HCHA

(Staphylococcus
aureus) 		no annotation 5 GLY A 200
SER A 206
LEU A 208
LEU A 180
ASP A 177
 None
None
None
LAC  A 401 ( 4.8A)
LAC  A 401 ( 3.9A)
 1.43A 2j2pB-5xr2A:
undetectable
2j2pC-5xr2A:
undetectable		 2j2pB-5xr2A:
21.04
2j2pC-5xr2A:
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.
5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Clostridium
beijerinckii) 		PF13407
(Peripla_BP_4) 		5 VAL X 149
GLY X 146
SER X 177
LEU X 207
ASP X 208
 None
 1.48A 2j2pB-5xsjX:
undetectable
2j2pC-5xsjX:
undetectable		 2j2pB-5xsjX:
22.74
2j2pC-5xsjX:
22.74
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 VAL A 360
GLY A 382
SER A 319
LEU A 321
SER A 388
 None
 1.24A 2j2pB-6br6A:
undetectable
2j2pC-6br6A:
undetectable		 2j2pB-6br6A:
16.06
2j2pC-6br6A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 VAL A 246
GLY A 242
SER A 240
LEU A 531
ASP A 527
 None
 1.20A 2j2pB-6es9A:
undetectable
2j2pC-6es9A:
undetectable		 2j2pB-6es9A:
17.89
2j2pC-6es9A:
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.
6f5o POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 5 GLY B 161
LEU B 163
LEU B 122
ASP B 120
ASP C  28
 None
 1.23A 2j2pB-6f5oB:
undetectable
2j2pC-6f5oB:
undetectable		 2j2pB-6f5oB:
15.60
2j2pC-6f5oB:
15.60