SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z2E_F_TR6F101

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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 GLY A  21
ARG A 306
GLY A 382
GLU A 383
 None
PO4  A4005 (-2.8A)
None
None
 1.27A 4z2eB-1c30A:
0.0
4z2eC-1c30A:
2.4		 4z2eB-1c30A:
19.61
4z2eC-1c30A:
15.16
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.
1ehl ANTI-(6-4)
PHOTOPRODUCT
ANTIBODY 64M-2 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  42
ARG H  40
GLY H  44
GLU H  46
 None
 1.24A 4z2eB-1ehlH:
undetectable
4z2eC-1ehlH:
undetectable		 4z2eB-1ehlH:
15.73
4z2eC-1ehlH:
19.85
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.
1eq3 PEPTIDYL-PROLYL
CIS/TRANS ISOMERASE
(PPIASE)

(Homo sapiens) 		PF13616
(Rotamase_3) 		4 GLY A  83
ARG A  41
GLY A 129
GLU A 128
 None
 1.25A 4z2eB-1eq3A:
undetectable
4z2eC-1eq3A:
undetectable		 4z2eB-1eq3A:
11.68
4z2eC-1eq3A:
17.05
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 GLY A 216
ARG A 223
GLY A 224
GLU A 227
 None
 0.83A 4z2eB-1fc4A:
0.0
4z2eC-1fc4A:
1.8		 4z2eB-1fc4A:
23.38
4z2eC-1fc4A:
24.47
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		4 GLY A 328
ARG A 327
GLY A 324
GLU A 323
 None
 1.14A 4z2eB-1fsuA:
0.0
4z2eC-1fsuA:
undetectable		 4z2eB-1fsuA:
20.58
4z2eC-1fsuA:
18.96
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		4 GLY A 328
ARG A 327
GLY A 325
GLU A 323
 None
 1.14A 4z2eB-1fsuA:
0.0
4z2eC-1fsuA:
undetectable		 4z2eB-1fsuA:
20.58
4z2eC-1fsuA:
18.96
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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 GLY A 213
ARG A 236
GLY A 235
GLU A 262
 None
 1.09A 4z2eB-1idjA:
undetectable
4z2eC-1idjA:
undetectable		 4z2eB-1idjA:
19.88
4z2eC-1idjA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		4 GLY A 252
ARG A 253
GLY A 313
GLU A 316
 None
 1.17A 4z2eB-1kzhA:
0.0
4z2eC-1kzhA:
2.1		 4z2eB-1kzhA:
23.14
4z2eC-1kzhA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLY A  41
ARG A 180
GLY A  33
GLU A  29
 None
 0.99A 4z2eB-1ofeA:
0.1
4z2eC-1ofeA:
undetectable		 4z2eB-1ofeA:
15.69
4z2eC-1ofeA:
10.99
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.
1oyj GLUTATHIONE
S-TRANSFERASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 GLY A 119
ARG A 121
GLY A 134
GLU A 136
 None
GSH  A 800 (-3.6A)
None
GSH  A 800 (-3.6A)
 1.15A 4z2eB-1oyjA:
undetectable
4z2eC-1oyjA:
undetectable		 4z2eB-1oyjA:
16.63
4z2eC-1oyjA:
20.80
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 GLY A 248
ARG A 214
GLY A 162
GLU A 159
 None
FMN  A 702 (-2.5A)
None
None
 1.11A 4z2eB-1ps9A:
undetectable
4z2eC-1ps9A:
undetectable		 4z2eB-1ps9A:
21.58
4z2eC-1ps9A:
17.57
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.
1qcx PECTIN LYASE B

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 GLY A 213
ARG A 236
GLY A 235
GLU A 262
 None
 1.00A 4z2eB-1qcxA:
undetectable
4z2eC-1qcxA:
undetectable		 4z2eB-1qcxA:
20.32
4z2eC-1qcxA:
19.18
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.
1sch PEANUT PEROXIDASE,
MAJOR CATIONIC
ISOZYME

(Arachis
hypogaea) 		PF00141
(peroxidase) 		4 GLY A 172
ARG A  31
GLY A  33
GLU A  29
 HEM  A 300 (-3.4A)
HEM  A 300 (-4.1A)
None
None
 1.04A 4z2eB-1schA:
undetectable
4z2eC-1schA:
undetectable		 4z2eB-1schA:
20.85
4z2eC-1schA:
20.19
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.
1stz HEAT-INDUCIBLE
TRANSCRIPTION
REPRESSOR HRCA
HOMOLOG

(Thermotoga
maritima) 		PF01628
(HrcA) 		4 GLY A 280
ARG A 274
GLY A 276
GLU A 278
 None
 1.25A 4z2eB-1stzA:
2.3
4z2eC-1stzA:
undetectable		 4z2eB-1stzA:
24.31
4z2eC-1stzA:
19.43
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		4 GLY A 237
ARG A  97
GLY A 239
GLU A 101
 None
 1.27A 4z2eB-1t3iA:
undetectable
4z2eC-1t3iA:
undetectable		 4z2eB-1t3iA:
21.91
4z2eC-1t3iA:
20.98
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.
1udx THE GTP-BINDING
PROTEIN OBG

(Thermus
thermophilus) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967) 		4 GLY A  15
ARG A  14
GLY A 145
GLU A 144
 None
 1.25A 4z2eB-1udxA:
undetectable
4z2eC-1udxA:
4.9		 4z2eB-1udxA:
22.92
4z2eC-1udxA:
21.18
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.
1vqv THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 GLY A 158
ARG A 161
GLY A 163
GLU A 165
 None
 1.12A 4z2eB-1vqvA:
undetectable
4z2eC-1vqvA:
undetectable		 4z2eB-1vqvA:
21.48
4z2eC-1vqvA:
24.04
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.
1z47 PUTATIVE
ABC-TRANSPORTER
ATP-BINDING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		4 GLY A  11
ARG A  39
GLY A  41
GLU A  42
 None
 1.28A 4z2eB-1z47A:
undetectable
4z2eC-1z47A:
undetectable		 4z2eB-1z47A:
22.04
4z2eC-1z47A:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		4 GLY A 722
ARG A 723
GLY A 719
GLU A 720
 None
 1.25A 4z2eB-1zvuA:
38.0
4z2eC-1zvuA:
undetectable		 4z2eB-1zvuA:
30.50
4z2eC-1zvuA:
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 4 GLY A 176
ARG A  95
GLY A  96
GLU A 275
 None
 1.00A 4z2eB-2bi0A:
undetectable
4z2eC-2bi0A:
undetectable		 4z2eB-2bi0A:
22.00
4z2eC-2bi0A:
21.87
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.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 GLY A  72
ARG A  77
GLY A  76
GLU A  78
 SO4  A   2 (-3.3A)
None
None
None
 1.20A 4z2eB-2c07A:
undetectable
4z2eC-2c07A:
2.7		 4z2eB-2c07A:
20.32
4z2eC-2c07A:
28.66
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		4 GLY A 163
ARG A 162
GLY A 154
GLU A 157
 None
 1.19A 4z2eB-2cu2A:
undetectable
4z2eC-2cu2A:
undetectable		 4z2eB-2cu2A:
21.24
4z2eC-2cu2A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dvl ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A  58
ARG A 114
GLY A 115
GLU A 116
 None
 1.21A 4z2eB-2dvlA:
1.5
4z2eC-2dvlA:
undetectable		 4z2eB-2dvlA:
22.90
4z2eC-2dvlA:
22.05
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 GLY A 172
ARG A 171
GLY A 168
GLU A 203
 None
 1.22A 4z2eB-2dw6A:
undetectable
4z2eC-2dw6A:
undetectable		 4z2eB-2dw6A:
21.88
4z2eC-2dw6A:
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY A 213
ARG A 240
GLY A 178
GLU A 239
 None
 1.12A 4z2eB-2e6kA:
undetectable
4z2eC-2e6kA:
undetectable		 4z2eB-2e6kA:
23.42
4z2eC-2e6kA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ekm HYPOTHETICAL PROTEIN
ST1511

(Sulfurisphaera
tokodaii) 		PF04008
(Adenosine_kin) 		4 GLY A 129
ARG A 128
GLY A 127
GLU A 123
 None
 1.24A 4z2eB-2ekmA:
undetectable
4z2eC-2ekmA:
undetectable		 4z2eB-2ekmA:
19.17
4z2eC-2ekmA:
23.53
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A 252
ARG A 253
GLY A 240
GLU A 238
 None
 1.20A 4z2eB-2glxA:
undetectable
4z2eC-2glxA:
2.1		 4z2eB-2glxA:
20.67
4z2eC-2glxA:
21.73
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		4 GLY A  77
ARG A 147
GLY A 146
GLU A 145
 None
 1.19A 4z2eB-2gn1A:
undetectable
4z2eC-2gn1A:
undetectable		 4z2eB-2gn1A:
23.17
4z2eC-2gn1A:
25.50
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.
2it9 HYPOTHETICAL PROTEIN

(Prochlorococcus
marinus) 		PF08848
(DUF1818) 		4 GLY A  25
ARG A  10
GLY A   8
GLU A   5
 None
 1.18A 4z2eB-2it9A:
undetectable
4z2eC-2it9A:
undetectable		 4z2eB-2it9A:
13.27
4z2eC-2it9A:
21.96
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.
2ix5 ACYL-COENZYME A
OXIDASE 4,
PEROXISOMAL

(Arabidopsis
thaliana) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 301
ARG A 127
GLY A 297
GLU A 124
 None
 1.27A 4z2eB-2ix5A:
1.3
4z2eC-2ix5A:
undetectable		 4z2eB-2ix5A:
22.57
4z2eC-2ix5A:
20.54
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.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		4 GLY A 169
ARG A 199
GLY A 198
GLU A 141
 None
 1.17A 4z2eB-2plwA:
undetectable
4z2eC-2plwA:
2.4		 4z2eB-2plwA:
17.01
4z2eC-2plwA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		4 GLY A 148
ARG A 111
GLY A 109
GLU A 145
 None
None
None
CA  A 379 ( 4.5A)
 1.01A 4z2eB-2pyhA:
undetectable
4z2eC-2pyhA:
undetectable		 4z2eB-2pyhA:
23.64
4z2eC-2pyhA:
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 GLY A 267
ARG A 277
GLY A 278
GLU A 280
 None
 1.17A 4z2eB-2w9mA:
undetectable
4z2eC-2w9mA:
undetectable		 4z2eB-2w9mA:
25.36
4z2eC-2w9mA:
20.89
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.
2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC

(Escherichia
coli) 		PF06178
(KdgM) 		4 GLY A  87
ARG A 107
GLY A  74
GLU A  58
 None
None
None
EPE  A1217 ( 4.9A)
 1.04A 4z2eB-2wjrA:
undetectable
4z2eC-2wjrA:
undetectable		 4z2eB-2wjrA:
18.35
4z2eC-2wjrA:
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY A 396
ARG A 418
GLY A 419
GLU A 437
 None
 1.01A 4z2eB-2xkkA:
47.5
4z2eC-2xkkA:
22.2		 4z2eB-2xkkA:
29.95
4z2eC-2xkkA:
18.86
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 GLY A 227
ARG A  79
GLY A  80
GLU A  83
 None
 1.15A 4z2eB-2zktA:
undetectable
4z2eC-2zktA:
undetectable		 4z2eB-2zktA:
22.99
4z2eC-2zktA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7x FK506-BINDING
PROTEIN 6

(Homo sapiens) 		PF00254
(FKBP_C) 		4 GLY A  48
ARG A 103
GLY A  46
GLU A 106
 None
 1.24A 4z2eB-3b7xA:
undetectable
4z2eC-3b7xA:
undetectable		 4z2eB-3b7xA:
16.63
4z2eC-3b7xA:
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.
3c9r THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 GLY A 158
ARG A 161
GLY A 163
GLU A 165
 None
 1.20A 4z2eB-3c9rA:
undetectable
4z2eC-3c9rA:
undetectable		 4z2eB-3c9rA:
22.68
4z2eC-3c9rA:
24.13
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 4 GLY A  40
ARG A 147
GLY A 148
GLU A 146
 None
 1.12A 4z2eB-3csqA:
undetectable
4z2eC-3csqA:
undetectable		 4z2eB-3csqA:
21.22
4z2eC-3csqA:
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 256
ARG A 280
GLY A 258
GLU A 259
 None
 1.08A 4z2eB-3dfhA:
undetectable
4z2eC-3dfhA:
undetectable		 4z2eB-3dfhA:
22.95
4z2eC-3dfhA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsg TYPE IV FIMBRIAE
ASSEMBLY PROTEIN

(Xanthomonas
campestris) 		PF07238
(PilZ) 		4 GLY A  32
ARG A  97
GLY A  93
GLU A  94
 None
 1.18A 4z2eB-3dsgA:
undetectable
4z2eC-3dsgA:
undetectable		 4z2eB-3dsgA:
12.55
4z2eC-3dsgA:
17.10
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.
3dwf 11-BETA-HYDROXYSTERO
ID DEHYDROGENASE 1

(Cavia porcellus) 		PF00106
(adh_short) 		4 GLY A 269
ARG A 273
GLY A 272
GLU A 277
 None
 1.23A 4z2eB-3dwfA:
undetectable
4z2eC-3dwfA:
2.4		 4z2eB-3dwfA:
20.52
4z2eC-3dwfA:
22.56
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 197
ARG A 196
GLY A 221
GLU A 222
 None
 1.02A 4z2eB-3eezA:
undetectable
4z2eC-3eezA:
undetectable		 4z2eB-3eezA:
22.09
4z2eC-3eezA:
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.
3g64 PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
coelicolor) 		PF00378
(ECH_1) 		4 GLY A 274
ARG A 275
GLY A 254
GLU A 255
 None
 1.20A 4z2eB-3g64A:
undetectable
4z2eC-3g64A:
undetectable		 4z2eB-3g64A:
20.36
4z2eC-3g64A:
23.36
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 GLY 1  64
ARG 1  65
GLY 1  66
GLU 1 222
 FMN  1 440 (-3.5A)
None
FMN  1 440 (-3.6A)
None
 1.24A 4z2eB-3i9v1:
undetectable
4z2eC-3i9v1:
undetectable		 4z2eB-3i9v1:
22.12
4z2eC-3i9v1:
21.27
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.
3ibs CONSERVED
HYPOTHETICAL PROTEIN
BATB

(Bacteroides
thetaiotaomicron) 		PF00092
(VWA) 		4 GLY A 142
ARG A 188
GLY A 140
GLU A 172
 None
 1.00A 4z2eB-3ibsA:
undetectable
4z2eC-3ibsA:
undetectable		 4z2eB-3ibsA:
18.79
4z2eC-3ibsA:
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.
3kol GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Nostoc
punctiforme) 		PF00903
(Glyoxalase) 		4 GLY A 133
ARG A 149
GLY A 135
GLU A 147
 None
None
None
CO  A 302 (-2.6A)
 1.07A 4z2eB-3kolA:
undetectable
4z2eC-3kolA:
undetectable		 4z2eB-3kolA:
14.99
4z2eC-3kolA:
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		4 GLY A 521
ARG A 573
GLY A 572
GLU A 551
 None
 1.07A 4z2eB-3koyA:
undetectable
4z2eC-3koyA:
4.0		 4z2eB-3koyA:
22.39
4z2eC-3koyA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgf FLUORESCENT PROTEIN

(Verrillofungia
concinna) 		PF01353
(GFP) 		4 GLY A  32
ARG A  33
GLY A  37
GLU A  36
 None
 1.28A 4z2eB-3mgfA:
undetectable
4z2eC-3mgfA:
undetectable		 4z2eB-3mgfA:
17.89
4z2eC-3mgfA:
20.22
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 GLY A 166
ARG A 165
GLY A 102
GLU A 104
 None
GEM  A 601 (-3.2A)
None
ZN  A 999 ( 1.7A)
 1.24A 4z2eB-3mn8A:
undetectable
4z2eC-3mn8A:
3.3		 4z2eB-3mn8A:
21.67
4z2eC-3mn8A:
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT
PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Roseobacter
denitrificans;
Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 545
ARG A 546
GLY B 116
GLU A 552
 None
 1.27A 4z2eB-3n6rA:
undetectable
4z2eC-3n6rA:
2.0		 4z2eB-3n6rA:
22.38
4z2eC-3n6rA:
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.
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 265
ARG A  88
GLY A 261
GLU A  85
 None
 1.28A 4z2eB-3pfdA:
1.9
4z2eC-3pfdA:
undetectable		 4z2eB-3pfdA:
20.64
4z2eC-3pfdA:
22.17
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLY A 418
ARG A 421
GLY A 422
GLU A 425
 None
 1.22A 4z2eB-3popA:
undetectable
4z2eC-3popA:
undetectable		 4z2eB-3popA:
22.18
4z2eC-3popA:
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.
3ssq CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00936
(BMC) 		4 GLY A  40
ARG A  11
GLY A  12
GLU A  71
 None
 1.21A 4z2eB-3ssqA:
undetectable
4z2eC-3ssqA:
undetectable		 4z2eB-3ssqA:
13.44
4z2eC-3ssqA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzg ZYMOGEN GRANULE
MEMBRANE PROTEIN 16

(Homo sapiens) 		PF01419
(Jacalin) 		4 GLY A  34
ARG A 145
GLY A  31
GLU A  29
 MAN  A 202 ( 3.7A)
None
None
None
 1.26A 4z2eB-3vzgA:
undetectable
4z2eC-3vzgA:
undetectable		 4z2eB-3vzgA:
14.94
4z2eC-3vzgA:
18.96
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.
3wx5 CELLULASE

(uncultured
bacterium) 		PF01670
(Glyco_hydro_12) 		4 GLY A 167
ARG A 134
GLY A 133
GLU A 244
 None
 1.15A 4z2eB-3wx5A:
undetectable
4z2eC-3wx5A:
undetectable		 4z2eB-3wx5A:
17.36
4z2eC-3wx5A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		4 GLY A 462
ARG A 463
GLY A 466
GLU A 467
 None
 0.95A 4z2eB-4bv6A:
undetectable
4z2eC-4bv6A:
undetectable		 4z2eB-4bv6A:
22.28
4z2eC-4bv6A:
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.
4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN

(Plasmodium
berghei;
synthetic
construct) 		PF00022
(Actin) 		4 GLY A 159
ARG A 184
GLY A 183
GLU A 188
 ATP  A1379 (-3.7A)
None
ATP  A1379 (-3.6A)
None
 1.24A 4z2eB-4cbwA:
undetectable
4z2eC-4cbwA:
2.7		 4z2eB-4cbwA:
21.53
4z2eC-4cbwA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		4 GLY A 297
ARG A 298
GLY A 300
GLU A 301
 None
 1.05A 4z2eB-4dnhA:
undetectable
4z2eC-4dnhA:
undetectable		 4z2eB-4dnhA:
24.34
4z2eC-4dnhA:
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.
4e93 TYROSINE-PROTEIN
KINASE FES/FPS

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		4 GLY A 570
ARG A 569
GLY A 568
GLU A 574
 GUI  A 901 (-3.4A)
None
GUI  A 901 ( 4.3A)
None
 1.27A 4z2eB-4e93A:
undetectable
4z2eC-4e93A:
undetectable		 4z2eB-4e93A:
21.98
4z2eC-4e93A:
21.58
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 GLY A 257
ARG A 260
GLY A 262
GLU A 264
 None
 1.20A 4z2eB-4g76A:
undetectable
4z2eC-4g76A:
undetectable		 4z2eB-4g76A:
20.48
4z2eC-4g76A:
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.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		4 GLY A 256
ARG A 255
GLY A 254
GLU A 278
 None
 1.13A 4z2eB-4hqnA:
undetectable
4z2eC-4hqnA:
2.5		 4z2eB-4hqnA:
20.04
4z2eC-4hqnA:
20.34
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 GLY A 339
ARG A 340
GLY A 341
GLU A  56
 HEM  A 405 (-4.0A)
None
None
None
 1.19A 4z2eB-4ictA:
undetectable
4z2eC-4ictA:
undetectable		 4z2eB-4ictA:
24.53
4z2eC-4ictA:
18.53
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY B 383
ARG B 386
GLY B 387
GLU B 390
 None
 1.24A 4z2eB-4iyoB:
undetectable
4z2eC-4iyoB:
undetectable		 4z2eB-4iyoB:
23.98
4z2eC-4iyoB:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4joq ABC RIBOSE
TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		4 GLY A 143
ARG A 144
GLY A 147
GLU A 148
 None
 0.99A 4z2eB-4joqA:
undetectable
4z2eC-4joqA:
4.0		 4z2eB-4joqA:
20.56
4z2eC-4joqA:
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.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A 252
ARG A 253
GLY A 240
GLU A 238
 None
 1.26A 4z2eB-4koaA:
undetectable
4z2eC-4koaA:
2.2		 4z2eB-4koaA:
23.11
4z2eC-4koaA:
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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		4 GLY A 298
ARG A 314
GLY A 301
GLU A 302
 None
 1.26A 4z2eB-4kw7A:
undetectable
4z2eC-4kw7A:
undetectable		 4z2eB-4kw7A:
22.58
4z2eC-4kw7A:
21.34
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.
4nb5 DNA BINDING PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 GLY A  39
ARG A  40
GLY A  27
GLU A  23
 None
 1.01A 4z2eB-4nb5A:
undetectable
4z2eC-4nb5A:
undetectable		 4z2eB-4nb5A:
17.81
4z2eC-4nb5A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1p L-ARABINOSE
ISOMERASE

(Geobacillus
kaustophilus) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		4 GLY A 244
ARG A 251
GLY A 248
GLU A 247
 None
 0.92A 4z2eB-4r1pA:
undetectable
4z2eC-4r1pA:
2.4		 4z2eB-4r1pA:
24.96
4z2eC-4r1pA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		4 GLY A 376
ARG A 428
GLY A 429
GLU A 421
 None
 0.98A 4z2eB-4repA:
undetectable
4z2eC-4repA:
undetectable		 4z2eB-4repA:
22.28
4z2eC-4repA:
19.38
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 GLY A 188
ARG A 187
GLY A 185
GLU A 184
 None
None
CLF  A1498 (-3.5A)
None
 1.10A 4z2eB-4wzbA:
undetectable
4z2eC-4wzbA:
2.9		 4z2eB-4wzbA:
22.14
4z2eC-4wzbA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		4 GLY A 207
ARG A 181
GLY A 182
GLU A 248
 None
 1.15A 4z2eB-4x4jA:
undetectable
4z2eC-4x4jA:
undetectable		 4z2eB-4x4jA:
24.73
4z2eC-4x4jA:
20.65
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 GLY A 167
ARG A 211
GLY A 340
GLU A 352
 None
 1.26A 4z2eB-4x8dA:
2.6
4z2eC-4x8dA:
undetectable		 4z2eB-4x8dA:
21.48
4z2eC-4x8dA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 GLY A 396
ARG A 439
GLY A 438
GLU A 442
 None
 0.97A 4z2eB-4xriA:
undetectable
4z2eC-4xriA:
undetectable		 4z2eB-4xriA:
19.42
4z2eC-4xriA:
16.31
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.
4xup ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF02018
(CBM_4_9) 		4 GLY A 199
ARG A 206
GLY A 201
GLU A 179
 None
None
CA  A1002 ( 4.8A)
CA  A1002 (-3.3A)
 1.13A 4z2eB-4xupA:
undetectable
4z2eC-4xupA:
undetectable		 4z2eB-4xupA:
21.41
4z2eC-4xupA:
20.46
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.
4xut ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF02018
(CBM_4_9) 		4 GLY A 199
ARG A 206
GLY A 201
GLU A 179
 None
None
CA  A 404 ( 4.8A)
CA  A 404 (-3.4A)
 1.12A 4z2eB-4xutA:
undetectable
4z2eC-4xutA:
undetectable		 4z2eB-4xutA:
17.62
4z2eC-4xutA:
20.52
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.
4znj PHAGE TERMINASE
LARGE SUBUNIT

(Thermus virus
P74-26) 		PF03237
(Terminase_6) 		4 GLY A 129
ARG A 128
GLY A  63
GLU A 126
 None
SO4  A 305 (-3.3A)
None
None
 1.28A 4z2eB-4znjA:
undetectable
4z2eC-4znjA:
undetectable		 4z2eB-4znjA:
21.03
4z2eC-4znjA:
21.80
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.
4zqv CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		PF07262
(CdiI) 		4 GLY A 134
ARG A 123
GLY A 132
GLU A 125
 None
 1.11A 4z2eB-4zqvA:
undetectable
4z2eC-4zqvA:
undetectable		 4z2eB-4zqvA:
18.00
4z2eC-4zqvA:
20.80
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.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 GLY A 465
ARG A 466
GLY A 472
GLU A 471
 None
 1.02A 4z2eB-4zwlA:
undetectable
4z2eC-4zwlA:
2.1		 4z2eB-4zwlA:
21.38
4z2eC-4zwlA:
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.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Coccidioides
immitis) 		PF00254
(FKBP_C) 		4 GLY C  11
ARG C  75
GLY C  76
GLU C  79
 None
 1.28A 4z2eB-5b8iC:
undetectable
4z2eC-5b8iC:
undetectable		 4z2eB-5b8iC:
15.79
4z2eC-5b8iC:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnn CAPSID PROTEIN VP2

(Enterovirus D) 		PF00073
(Rhv) 		4 GLY B 153
ARG B 151
GLY B 149
GLU B 150
 None
 0.95A 4z2eB-5bnnB:
undetectable
4z2eC-5bnnB:
undetectable		 4z2eB-5bnnB:
17.89
4z2eC-5bnnB:
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.
5djb MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		PF00936
(BMC) 		4 GLY A  40
ARG A  11
GLY A  12
GLU A  69
 None
 1.03A 4z2eB-5djbA:
undetectable
4z2eC-5djbA:
undetectable		 4z2eB-5djbA:
11.83
4z2eC-5djbA:
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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 GLY A 228
ARG A  88
GLY A  89
GLU A  92
 None
None
PLP  A1222 ( 4.2A)
None
 0.89A 4z2eB-5ft6A:
undetectable
4z2eC-5ft6A:
undetectable		 4z2eB-5ft6A:
22.50
4z2eC-5ft6A:
20.85
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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 GLY A 478
ARG A 503
GLY A 504
GLU A 522
 N2W  A1302 ( 3.0A)
N2S  A1301 ( 3.9A)
N2W  A1302 ( 4.4A)
None
 0.95A 4z2eB-5gwjA:
30.2
4z2eC-5gwjA:
20.0		 4z2eB-5gwjA:
21.10
4z2eC-5gwjA:
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 GLY A 240
ARG A 242
GLY A 243
GLU A 276
 None
 1.12A 4z2eB-5jjuA:
undetectable
4z2eC-5jjuA:
undetectable		 4z2eB-5jjuA:
21.12
4z2eC-5jjuA:
20.95
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 GLY A 969
ARG A1013
GLY A 992
GLU A1212
 None
 0.97A 4z2eB-5kf7A:
undetectable
4z2eC-5kf7A:
2.2		 4z2eB-5kf7A:
16.96
4z2eC-5kf7A:
12.47
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.
5lnk MITOCHONDRIAL
COMPLEX I, B16.6
SUBUNIT

(Ovis aries) 		no annotation 4 GLY q 125
ARG q 127
GLY q 129
GLU q 131
 None
 0.91A 4z2eB-5lnkq:
undetectable
4z2eC-5lnkq:
undetectable		 4z2eB-5lnkq:
14.84
4z2eC-5lnkq:
18.96
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 GLY A1275
ARG A1277
GLY A1279
GLU A1281
 None
 1.09A 4z2eB-5me3A:
undetectable
4z2eC-5me3A:
undetectable		 4z2eB-5me3A:
18.10
4z2eC-5me3A:
13.34
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.
5nh2 UNCHARACTERIZED
PROTEIN

(Bartonella
henselae) 		no annotation 4 GLY B  53
ARG B  52
GLY B  49
GLU B  48
 GLY  B  53 ( 0.0A)
ARG  B  52 ( 0.6A)
GLY  B  49 ( 0.0A)
GLU  B  48 ( 0.6A)
 1.17A 4z2eB-5nh2B:
undetectable
4z2eC-5nh2B:
undetectable		 4z2eB-5nh2B:
10.20
4z2eC-5nh2B:
15.24
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		4 GLY A 170
ARG A  31
GLY A  33
GLU A  29
 HEM  A 301 (-3.0A)
HEM  A 301 (-4.0A)
None
None
 1.14A 4z2eB-5twtA:
undetectable
4z2eC-5twtA:
undetectable		 4z2eB-5twtA:
20.51
4z2eC-5twtA:
23.19
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.
5u9k ARYL HYDROCARBON
RECEPTOR-INTERACTING
PROTEIN-LIKE 1
(AIPL1)

(Homo sapiens) 		PF00254
(FKBP_C) 		4 GLY A  22
ARG A  80
GLY A  20
GLU A  83
 None
 1.13A 4z2eB-5u9kA:
undetectable
4z2eC-5u9kA:
undetectable		 4z2eB-5u9kA:
15.13
4z2eC-5u9kA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		4 GLY A 391
ARG A 393
GLY A 395
GLU A 363
 None
 1.18A 4z2eB-5vatA:
undetectable
4z2eC-5vatA:
4.5		 4z2eB-5vatA:
22.32
4z2eC-5vatA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 4 GLY B 182
ARG B 106
GLY B 104
GLU B 105
 None
 1.02A 4z2eB-5vrfB:
1.4
4z2eC-5vrfB:
undetectable		 4z2eB-5vrfB:
9.22
4z2eC-5vrfB:
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.
5wpw 11S GLOBULIN ISOFORM
1

(Cocos nucifera) 		no annotation 4 GLY A 360
ARG A 359
GLY A 396
GLU A 398
 None
 1.00A 4z2eB-5wpwA:
undetectable
4z2eC-5wpwA:
undetectable		 4z2eB-5wpwA:
23.54
4z2eC-5wpwA:
21.09
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.
5wpw 11S GLOBULIN ISOFORM
1

(Cocos nucifera) 		no annotation 4 GLY A 360
ARG A 359
GLY A 399
GLU A 398
 None
 1.21A 4z2eB-5wpwA:
undetectable
4z2eC-5wpwA:
undetectable		 4z2eB-5wpwA:
23.54
4z2eC-5wpwA:
21.09
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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 4 GLY A 101
ARG A 121
GLY A 145
GLU A 124
 FAD  A 601 (-3.5A)
None
None
None
 1.24A 4z2eB-6c80A:
undetectable
4z2eC-6c80A:
undetectable		 4z2eB-6c80A:
10.58
4z2eC-6c80A:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cao -

(-) 		no annotation 4 GLY K  88
ARG K  91
GLY K  90
GLU K  92
 None
 1.15A 4z2eB-6caoK:
undetectable
4z2eC-6caoK:
undetectable		 4z2eB-6caoK:
undetectable
4z2eC-6caoK:
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		no annotation 4 GLY L 329
ARG L 328
GLY L 312
GLU L 311
 None
 1.26A 4z2eB-6cfwL:
2.2
4z2eC-6cfwL:
undetectable		 4z2eB-6cfwL:
10.82
4z2eC-6cfwL:
14.50
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
3, MITOCHONDRIAL

(Mus musculus) 		no annotation 4 GLY P  39
ARG P  13
GLY P  12
GLU C 186
 None
 0.88A 4z2eB-6g2jP:
undetectable
4z2eC-6g2jP:
undetectable		 4z2eB-6g2jP:
10.81
4z2eC-6g2jP:
11.48