SIMILAR PATTERNS OF AMINO ACIDS FOR 6G9B_B_IXXB705_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ARG A 505
ALA A 443
TYR A 438
ILE A 446
 None
 1.47A 6g9bA-1dgsA:
0.0
6g9bB-1dgsA:
0.0		 6g9bA-1dgsA:
8.21
6g9bB-1dgsA:
8.58
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 ARG A 715
ALA A 291
TYR A 718
GLN A 313
 None
 1.46A 6g9bA-1ex0A:
0.0
6g9bB-1ex0A:
0.0		 6g9bA-1ex0A:
7.79
6g9bB-1ex0A:
8.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		4 ARG A 246
ALA A 242
TYR A 239
ILE A 228
 None
 1.33A 6g9bA-1eywA:
0.0
6g9bB-1eywA:
undetectable		 6g9bA-1eywA:
13.68
6g9bB-1eywA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		4 ARG A 246
ALA A 242
TYR A 239
ILE A 250
 None
 1.22A 6g9bA-1eywA:
0.0
6g9bB-1eywA:
undetectable		 6g9bA-1eywA:
13.68
6g9bB-1eywA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		4 ARG A  34
ALA A  33
GLN A  75
ILE A  98
 None
 1.42A 6g9bA-1f0xA:
0.0
6g9bB-1f0xA:
0.0		 6g9bA-1f0xA:
9.93
6g9bB-1f0xA:
9.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		4 ARG A 185
ALA A 188
GLN A 132
ILE A 126
 None
None
None
SO4  A 802 (-3.7A)
 1.17A 6g9bA-1gcbA:
0.0
6g9bB-1gcbA:
0.0		 6g9bA-1gcbA:
11.45
6g9bB-1gcbA:
10.02
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		4 ARG A  52
ALA A  51
GLN A 138
ILE A  46
 None
 1.44A 6g9bA-1gnxA:
0.0
6g9bB-1gnxA:
0.0		 6g9bA-1gnxA:
14.16
6g9bB-1gnxA:
9.83
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ARG A 937
ALA A1015
GLN A 918
ILE A 947
 None
 1.39A 6g9bA-1kqfA:
0.0
6g9bB-1kqfA:
0.4		 6g9bA-1kqfA:
10.84
6g9bB-1kqfA:
7.14
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.
1mky PROBABLE GTP-BINDING
PROTEIN ENGA

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		4 ARG A 293
ALA A 294
TYR A 353
ILE A 392
 None
 1.02A 6g9bA-1mkyA:
0.0
6g9bB-1mkyA:
undetectable		 6g9bA-1mkyA:
11.75
6g9bB-1mkyA:
11.27
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.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		4 ARG A  96
ALA A  98
GLN A 161
ILE A 133
 None
 1.18A 6g9bA-1pz1A:
0.0
6g9bB-1pz1A:
0.0		 6g9bA-1pz1A:
12.35
6g9bB-1pz1A:
13.04
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 ARG A 195
ALA A 194
TYR A 221
ILE A 215
 None
 1.33A 6g9bA-1serA:
undetectable
6g9bB-1serA:
0.0		 6g9bA-1serA:
10.98
6g9bB-1serA:
13.33
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.
1tdh NEI ENDONUCLEASE
VIII-LIKE 1

(Homo sapiens) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
PF09292
(Neil1-DNA_bind) 		4 ARG A 179
ALA A 180
TYR A 263
GLN A 272
 None
 1.23A 6g9bA-1tdhA:
undetectable
6g9bB-1tdhA:
undetectable		 6g9bA-1tdhA:
11.75
6g9bB-1tdhA:
12.42
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.
1v9p DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ARG A 508
ALA A 446
TYR A 441
ILE A 449
 None
 1.41A 6g9bA-1v9pA:
undetectable
6g9bB-1v9pA:
undetectable		 6g9bA-1v9pA:
10.34
6g9bB-1v9pA:
10.05
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.
1wf3 GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		4 ARG A 204
ALA A 201
GLN A 263
ILE A 196
 None
 1.38A 6g9bA-1wf3A:
undetectable
6g9bB-1wf3A:
undetectable		 6g9bA-1wf3A:
15.59
6g9bB-1wf3A:
13.76
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.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		4 ALA B 122
TYR B 172
GLN B 153
ILE B 151
 None
 1.42A 6g9bA-1y43B:
undetectable
6g9bB-1y43B:
undetectable		 6g9bA-1y43B:
19.23
6g9bB-1y43B:
16.77
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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		4 ALA A 197
TYR A 200
GLN A  76
ILE A 276
 None
 1.47A 6g9bA-1yc9A:
undetectable
6g9bB-1yc9A:
undetectable		 6g9bA-1yc9A:
10.45
6g9bB-1yc9A:
11.59
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.
1zso HYPOTHETICAL PROTEIN

(Plasmodium
falciparum) 		PF05907
(DUF866) 		4 ARG A  45
TYR A  24
GLN A  43
ILE A  27
 None
 1.36A 6g9bA-1zsoA:
undetectable
6g9bB-1zsoA:
undetectable		 6g9bA-1zsoA:
19.51
6g9bB-1zsoA:
12.80
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.
2b6c HYPOTHETICAL PROTEIN
EF3068

(Enterococcus
faecalis) 		PF08713
(DNA_alkylation) 		4 ARG A 138
ALA A 160
GLN A 173
ILE A 176
 None
 1.37A 6g9bA-2b6cA:
undetectable
6g9bB-2b6cA:
undetectable		 6g9bA-2b6cA:
15.94
6g9bB-2b6cA:
17.51
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.
2bb3 COBALAMIN
BIOSYNTHESIS
PRECORRIN-6Y
METHYLASE (CBIE)

(Archaeoglobus
fulgidus) 		PF00590
(TP_methylase) 		4 ARG A 110
ALA A 107
GLN A  13
ILE A 101
 None
 1.36A 6g9bA-2bb3A:
undetectable
6g9bB-2bb3A:
undetectable		 6g9bA-2bb3A:
17.21
6g9bB-2bb3A:
15.31
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.
2btv PROTEIN (VP3 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3) 		4 ALA A 268
TYR A  80
GLN A 228
ILE A 224
 None
 1.14A 6g9bA-2btvA:
undetectable
6g9bB-2btvA:
undetectable		 6g9bA-2btvA:
6.83
6g9bB-2btvA:
7.31
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 563
ALA A 562
GLN A 516
ILE A 512
 None
 1.43A 6g9bA-2fjaA:
undetectable
6g9bB-2fjaA:
0.0		 6g9bA-2fjaA:
8.28
6g9bB-2fjaA:
9.24
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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		4 ALA A 170
TYR A 131
GLN A  86
ILE A 137
 None
 1.33A 6g9bA-2h0rA:
undetectable
6g9bB-2h0rA:
undetectable		 6g9bA-2h0rA:
19.34
6g9bB-2h0rA:
13.55
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.
2kkx UNCHARACTERIZED
PROTEIN ECS2156

(Escherichia
coli) 		PF06416
(T3SS_NleG) 		4 ARG A 151
ALA A 148
GLN A  95
ILE A  98
 None
 1.44A 6g9bA-2kkxA:
undetectable
6g9bB-2kkxA:
undetectable		 6g9bA-2kkxA:
17.70
6g9bB-2kkxA:
25.61
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.
2owm RELATED TO
KINESIN-LIKE PROTEIN
KIF1C

(Neurospora
crassa) 		PF00225
(Kinesin) 		4 ALA A 390
TYR A 143
GLN A 409
ILE A 333
 None
 1.08A 6g9bA-2owmA:
undetectable
6g9bB-2owmA:
undetectable		 6g9bA-2owmA:
13.03
6g9bB-2owmA:
12.04
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.
2p61 HYPOTHETICAL PROTEIN
TM_1646

(Thermotoga
maritima) 		PF03885
(DUF327) 		4 ARG A  76
ALA A  80
TYR A  77
ILE A  59
 None
 1.44A 6g9bA-2p61A:
undetectable
6g9bB-2p61A:
undetectable		 6g9bA-2p61A:
21.23
6g9bB-2p61A:
15.13
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		4 ARG A 358
ALA A 355
TYR A 354
ILE A 441
 None
 1.47A 6g9bA-2p9bA:
undetectable
6g9bB-2p9bA:
undetectable		 6g9bA-2p9bA:
12.47
6g9bB-2p9bA:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 ARG A 249
ALA A 216
TYR A 187
ILE A 162
 None
 1.20A 6g9bA-2puzA:
undetectable
6g9bB-2puzA:
undetectable		 6g9bA-2puzA:
15.04
6g9bB-2puzA:
11.92
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.
2pwq UBIQUITIN
CONJUGATING ENZYME

(Plasmodium
yoelii) 		PF00179
(UQ_con) 		4 ARG A 102
ALA A  24
GLN A 109
ILE A  38
 None
 1.35A 6g9bA-2pwqA:
undetectable
6g9bB-2pwqA:
undetectable		 6g9bA-2pwqA:
15.45
6g9bB-2pwqA:
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ALA A 368
TYR A 473
GLN A 294
ILE A 401
 None
FAD  A 601 ( 4.9A)
None
None
 1.45A 6g9bA-2wdwA:
undetectable
6g9bB-2wdwA:
undetectable		 6g9bA-2wdwA:
11.66
6g9bB-2wdwA:
9.13
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.
2wfx HEDGEHOG-INTERACTING
PROTEIN

(Homo sapiens) 		PF07995
(GSDH) 		4 ALA B 436
TYR B 509
GLN B 467
ILE B 465
 None
 1.46A 6g9bA-2wfxB:
undetectable
6g9bB-2wfxB:
undetectable		 6g9bA-2wfxB:
11.61
6g9bB-2wfxB:
10.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ALA A  81
TYR A  80
GLN A 324
ILE A 326
 None
 1.20A 6g9bA-2wm4A:
undetectable
6g9bB-2wm4A:
undetectable		 6g9bA-2wm4A:
10.59
6g9bB-2wm4A:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xnd ATP SYNTHASE SUBUNIT
DELTA, MITOCHONDRIAL
ATP SYNTHASE SUBUNIT
EPSILON,
MITOCHONDRIAL

(Bos taurus) 		PF02823
(ATP-synt_DE_N)
PF04627
(ATP-synt_Eps) 		4 ARG H 128
ALA H 129
TYR I   3
ILE H 135
 None
 1.47A 6g9bA-2xndH:
undetectable
6g9bB-2xndH:
undetectable		 6g9bA-2xndH:
23.44
6g9bB-2xndH:
17.83
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.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ARG A 237
ALA A 235
GLN A 302
ILE A 449
 None
 1.26A 6g9bA-2y0eA:
undetectable
6g9bB-2y0eA:
undetectable		 6g9bA-2y0eA:
11.46
6g9bB-2y0eA:
10.17
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		4 ARG B 500
ALA B 570
GLN B 592
ILE B 587
 None
 1.19A 6g9bA-3b78B:
undetectable
6g9bB-3b78B:
undetectable		 6g9bA-3b78B:
19.65
6g9bB-3b78B:
21.69
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 ARG A 160
ALA A 420
GLN A 344
ILE A 424
 None
 1.25A 6g9bA-3gcwA:
undetectable
6g9bB-3gcwA:
0.4		 6g9bA-3gcwA:
9.96
6g9bB-3gcwA:
10.75
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.
3go5 MULTIDOMAIN PROTEIN
WITH S1 RNA-BINDING
DOMAINS

(Streptococcus
pneumoniae) 		PF13509
(S1_2) 		4 ARG A 120
ALA A 134
TYR A 135
ILE A 102
 None
 1.03A 6g9bA-3go5A:
undetectable
6g9bB-3go5A:
undetectable		 6g9bA-3go5A:
15.56
6g9bB-3go5A:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		4 ALA B  48
TYR B  20
GLN B  98
ILE B  54
 None
 0.89A 6g9bA-3hstB:
undetectable
6g9bB-3hstB:
undetectable		 6g9bA-3hstB:
20.00
6g9bB-3hstB:
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.
3hzs MONOFUNCTIONAL
GLYCOSYLTRANSFERASE

(Staphylococcus
aureus) 		PF00912
(Transgly) 		4 ALA A  95
TYR A  91
GLN A 215
ILE A 211
 None
 1.44A 6g9bA-3hzsA:
undetectable
6g9bB-3hzsA:
undetectable		 6g9bA-3hzsA:
16.75
6g9bB-3hzsA:
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.
3i0w 8-OXOGUANINE-DNA-GLY
COSYLASE

(Clostridium
acetobutylicum) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 ALA A 237
TYR A 235
GLN A  31
ILE A 110
 None
 1.46A 6g9bA-3i0wA:
undetectable
6g9bB-3i0wA:
undetectable		 6g9bA-3i0wA:
15.08
6g9bB-3i0wA:
12.81
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.
3j0c E1 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF01589
(Alpha_E1_glycop) 		4 ALA A 395
TYR A 393
GLN A  10
ILE A  13
 None
 1.27A 6g9bA-3j0cA:
undetectable
6g9bB-3j0cA:
undetectable		 6g9bA-3j0cA:
11.79
6g9bB-3j0cA:
11.40
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.
3j3r ADAPTER PROTEIN MECA
1

(Bacillus
subtilis) 		PF05389
(MecA) 		4 ALA 1 186
TYR 1 185
GLN 1 178
ILE 1 181
 None
 1.32A 6g9bA-3j3r1:
undetectable
6g9bB-3j3r1:
undetectable		 6g9bA-3j3r1:
18.57
6g9bB-3j3r1:
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.
3k7l ATRAGIN

(Naja atra) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 ARG A 467
ALA A 203
TYR A 200
ILE A 396
 None
 1.38A 6g9bA-3k7lA:
1.4
6g9bB-3k7lA:
undetectable		 6g9bA-3k7lA:
15.00
6g9bB-3k7lA:
13.55
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.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 ALA A-273
TYR A-245
GLN A  -9
ILE A -11
 None
 1.46A 6g9bA-3l2jA:
undetectable
6g9bB-3l2jA:
undetectable		 6g9bA-3l2jA:
10.23
6g9bB-3l2jA:
10.89
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.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE

(Idiomarina
loihiensis) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		4 ALA A  87
TYR A  86
GLN A 117
ILE A  90
 LLP  A  46 ( 3.7A)
None
None
None
 1.30A 6g9bA-3llxA:
undetectable
6g9bB-3llxA:
undetectable		 6g9bA-3llxA:
13.01
6g9bB-3llxA:
12.83
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		4 ARG A 122
ALA A 126
GLN A 433
ILE A  96
 None
 1.21A 6g9bA-3lx6A:
undetectable
6g9bB-3lx6A:
undetectable		 6g9bA-3lx6A:
15.06
6g9bB-3lx6A:
13.09
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.
3m1p RIBOSE 5-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF02502
(LacAB_rpiB) 		4 ARG A 113
ALA A  69
TYR A  46
ILE A  73
 None
 1.39A 6g9bA-3m1pA:
undetectable
6g9bB-3m1pA:
undetectable		 6g9bA-3m1pA:
19.35
6g9bB-3m1pA:
19.61
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ARG A  49
ALA A  48
GLN A 182
ILE A 186
 None
 1.24A 6g9bA-3n58A:
0.0
6g9bB-3n58A:
undetectable		 6g9bA-3n58A:
10.18
6g9bB-3n58A:
11.42
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.
3nph PHYCOBILISOME 32.1
KDA LINKER
POLYPEPTIDE,
PHYCOCYANIN-ASSOCIAT
ED, ROD 2

(Synechocystis
sp. PCC 6803) 		PF00427
(PBS_linker_poly) 		4 ALA B  90
TYR B  83
GLN B  94
ILE B  97
 None
 1.40A 6g9bA-3nphB:
undetectable
6g9bB-3nphB:
undetectable		 6g9bA-3nphB:
22.48
6g9bB-3nphB:
18.80
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.
3psq HYPOTHETICAL
EXPORTED PROTEIN

(Streptococcus
pyogenes) 		PF04203
(Sortase) 		4 ALA A 168
TYR A 204
GLN A 235
ILE A 207
 None
EDO  A 239 (-4.9A)
EDO  A 239 ( 4.7A)
EDO  A 239 (-3.9A)
 1.15A 6g9bA-3psqA:
undetectable
6g9bB-3psqA:
undetectable		 6g9bA-3psqA:
16.06
6g9bB-3psqA:
17.09
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.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		4 ALA A 154
TYR A 110
GLN A 148
ILE A 104
 None
 1.31A 6g9bA-3pvzA:
undetectable
6g9bB-3pvzA:
undetectable		 6g9bA-3pvzA:
13.57
6g9bB-3pvzA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pwz SHIKIMATE
DEHYDROGENASE 3

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ARG A  68
ALA A  69
GLN A  47
ILE A   8
 None
 1.15A 6g9bA-3pwzA:
undetectable
6g9bB-3pwzA:
undetectable		 6g9bA-3pwzA:
16.98
6g9bB-3pwzA:
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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ARG A  22
ALA A  18
TYR A 118
ILE A 328
 None
 1.02A 6g9bA-3qj4A:
undetectable
6g9bB-3qj4A:
undetectable		 6g9bA-3qj4A:
12.61
6g9bB-3qj4A:
14.97
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.
3tev GLYCOSYL HYROLASE,
FAMILY 3

(Deinococcus
radiodurans) 		PF00933
(Glyco_hydro_3) 		4 ARG A 198
ALA A 228
TYR A 226
ILE A 241
 None
 1.41A 6g9bA-3tevA:
undetectable
6g9bB-3tevA:
undetectable		 6g9bA-3tevA:
15.41
6g9bB-3tevA:
13.29
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.
3zrh UBIQUITIN
THIOESTERASE ZRANB1

(Homo sapiens) 		PF02338
(OTU) 		4 ARG A 405
TYR A 433
GLN A 395
ILE A 387
 None
 1.39A 6g9bA-3zrhA:
undetectable
6g9bB-3zrhA:
undetectable		 6g9bA-3zrhA:
9.78
6g9bB-3zrhA:
10.60
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 ARG A 401
ALA A 400
GLN A 351
ILE A 394
 None
 1.39A 6g9bA-4aysA:
undetectable
6g9bB-4aysA:
undetectable		 6g9bA-4aysA:
8.97
6g9bB-4aysA:
9.75
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.
4bnd ALPHA-PHOSPHOGLUCOMU
TASE

(Lactococcus
lactis) 		PF03332
(PMM) 		4 ARG B 128
ALA B  70
GLN B  51
ILE B   9
 GOL  B1256 (-3.5A)
None
None
None
 1.21A 6g9bA-4bndB:
undetectable
6g9bB-4bndB:
undetectable		 6g9bA-4bndB:
15.98
6g9bB-4bndB:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		4 ALA A 104
TYR A 258
GLN A 296
ILE A 294
 None
None
GOL  A1349 (-3.4A)
None
 1.44A 6g9bA-4d7qA:
undetectable
6g9bB-4d7qA:
undetectable		 6g9bA-4d7qA:
12.90
6g9bB-4d7qA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 344
TYR A 219
GLN A 154
ILE A 250
 None
 1.27A 6g9bA-4e1lA:
undetectable
6g9bB-4e1lA:
undetectable		 6g9bA-4e1lA:
13.74
6g9bB-4e1lA:
13.74
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.
4ham LMO2241 PROTEIN

(Listeria
monocytogenes) 		PF00392
(GntR) 		4 ALA A  55
TYR A  56
GLN A  23
ILE A  20
 None
 1.39A 6g9bA-4hamA:
undetectable
6g9bB-4hamA:
1.8		 6g9bA-4hamA:
20.90
6g9bB-4hamA:
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.
4hbs PUTATIVE HYDROLASE

(Bacteroides
ovatus) 		PF16396
(DUF5005) 		4 ARG A 268
ALA A 267
TYR A 257
ILE A 306
 None
 1.15A 6g9bA-4hbsA:
undetectable
6g9bB-4hbsA:
undetectable		 6g9bA-4hbsA:
12.53
6g9bB-4hbsA:
12.40
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.
4hec -

(-) 		PF16473
(DUF5051) 		4 ALA A  94
TYR A  95
GLN A 102
ILE A  17
 None
 1.39A 6g9bA-4hecA:
undetectable
6g9bB-4hecA:
undetectable		 6g9bA-4hecA:
20.89
6g9bB-4hecA:
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.
4ldy AUXIN RESPONSE
FACTOR 1

(Arabidopsis
thaliana) 		PF02362
(B3)
PF06507
(Auxin_resp) 		4 ARG A  82
ALA A  93
TYR A 264
ILE A 274
 None
 1.32A 6g9bA-4ldyA:
undetectable
6g9bB-4ldyA:
undetectable		 6g9bA-4ldyA:
15.60
6g9bB-4ldyA:
12.22
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ARG A 336
ALA A  74
TYR A 354
ILE A 357
 None
 1.27A 6g9bA-4mrmA:
0.2
6g9bB-4mrmA:
undetectable		 6g9bA-4mrmA:
12.23
6g9bB-4mrmA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nle ADENYLOSUCCINATE
LYASE

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ARG A 302
ALA A 305
GLN A 341
ILE A 338
 None
 0.79A 6g9bA-4nleA:
undetectable
6g9bB-4nleA:
undetectable		 6g9bA-4nleA:
10.66
6g9bB-4nleA:
10.60
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.
4ols ENDOLYSIN

(Staphylococcus
virus G15) 		PF01510
(Amidase_2) 		4 ALA A 279
TYR A 244
GLN A 260
ILE A 255
 None
 1.27A 6g9bA-4olsA:
undetectable
6g9bB-4olsA:
undetectable		 6g9bA-4olsA:
17.41
6g9bB-4olsA:
21.76
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 4 ALA H  35
TYR H 244
GLN H 510
ILE H 527
 None
 1.30A 6g9bA-4qfkH:
undetectable
6g9bB-4qfkH:
undetectable		 6g9bA-4qfkH:
10.81
6g9bB-4qfkH:
10.40
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.
4qgr DEGT/DNRJ/ERYC1/STRS
AMINOTRANSFERASE

(Brucella
abortus) 		PF01041
(DegT_DnrJ_EryC1) 		4 ARG A 259
ALA A 258
TYR A 353
ILE A 251
 None
 1.44A 6g9bA-4qgrA:
undetectable
6g9bB-4qgrA:
0.0		 6g9bA-4qgrA:
17.31
6g9bB-4qgrA:
11.97
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.
4r40 PROTEIN TOLB

(Yersinia pestis) 		PF04052
(TolB_N)
PF07676
(PD40) 		4 ALA A 215
TYR A 216
GLN A 238
ILE A 236
 None
 1.22A 6g9bA-4r40A:
undetectable
6g9bB-4r40A:
undetectable		 6g9bA-4r40A:
13.66
6g9bB-4r40A:
12.81
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.
4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		4 ARG A  77
ALA A  76
GLN A  34
ILE A  37
 ARG  A  77 ( 0.6A)
ALA  A  76 ( 0.0A)
GLN  A  34 ( 0.6A)
ILE  A  37 ( 0.7A)
 1.28A 6g9bA-4rhyA:
undetectable
6g9bB-4rhyA:
undetectable		 6g9bA-4rhyA:
20.93
6g9bB-4rhyA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 4 ALA A 559
TYR A 610
GLN A 498
ILE A 536
 None
 1.14A 6g9bA-4rmxA:
undetectable
6g9bB-4rmxA:
undetectable		 6g9bA-4rmxA:
9.20
6g9bB-4rmxA:
8.77
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		4 ARG A 366
ALA A 369
TYR A 379
ILE A 343
 None
 1.45A 6g9bA-4trqA:
undetectable
6g9bB-4trqA:
undetectable		 6g9bA-4trqA:
14.62
6g9bB-4trqA:
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		4 ARG A 136
ALA A 140
TYR A 144
ILE A 155
 None
 1.32A 6g9bA-4txkA:
undetectable
6g9bB-4txkA:
undetectable		 6g9bA-4txkA:
9.03
6g9bB-4txkA:
9.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		4 ARG A  74
ALA A  72
GLN A  66
ILE A  98
 None
 1.41A 6g9bA-4x81A:
undetectable
6g9bB-4x81A:
undetectable		 6g9bA-4x81A:
13.31
6g9bB-4x81A:
14.29
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.
4xaa PUTATIVE OXYGENASE

(Streptomyces
viridochromogenes) 		PF05721
(PhyH) 		4 ARG A 208
ALA A  39
GLN A 184
ILE A  32
 None
 1.42A 6g9bA-4xaaA:
undetectable
6g9bB-4xaaA:
undetectable		 6g9bA-4xaaA:
16.29
6g9bB-4xaaA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 ARG A  89
ALA A  90
GLN A 104
ILE A  42
 None
 1.36A 6g9bA-4xe7A:
undetectable
6g9bB-4xe7A:
0.7		 6g9bA-4xe7A:
12.11
6g9bB-4xe7A:
10.72
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.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 ARG A 532
ALA A 488
GLN A 547
ILE A 485
 None
 1.32A 6g9bA-4xhpA:
undetectable
6g9bB-4xhpA:
0.7		 6g9bA-4xhpA:
6.71
6g9bB-4xhpA:
6.04
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.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 ARG A 532
ALA A 533
GLN A 547
ILE A 485
 None
 1.19A 6g9bA-4xhpA:
undetectable
6g9bB-4xhpA:
0.7		 6g9bA-4xhpA:
6.71
6g9bB-4xhpA:
6.04
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.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 291
ALA A 246
GLN A 284
ILE A 253
 None
 1.05A 6g9bA-4xvxA:
undetectable
6g9bB-4xvxA:
undetectable		 6g9bA-4xvxA:
11.34
6g9bB-4xvxA:
14.19
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.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 291
ALA A 247
GLN A 284
ILE A 253
 None
 1.23A 6g9bA-4xvxA:
undetectable
6g9bB-4xvxA:
undetectable		 6g9bA-4xvxA:
11.34
6g9bB-4xvxA:
14.19
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.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ALA A 344
TYR A 342
GLN A 574
ILE A 576
 None
 1.44A 6g9bA-4z0vA:
undetectable
6g9bB-4z0vA:
undetectable		 6g9bA-4z0vA:
14.49
6g9bB-4z0vA:
11.84
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.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF13406
(SLT_2) 		4 ARG A  72
ALA A  73
GLN A 186
ILE A  65
 None
 1.40A 6g9bA-5ao8A:
undetectable
6g9bB-5ao8A:
undetectable		 6g9bA-5ao8A:
13.06
6g9bB-5ao8A:
12.71
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.
5h5l GLUTATHIONE
S-TRANSFERASE S2

(Nilaparvata
lugens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  69
ALA A  68
TYR A 155
GLN A  63
 None
None
None
GSH  A 301 (-3.1A)
 1.34A 6g9bA-5h5lA:
undetectable
6g9bB-5h5lA:
undetectable		 6g9bA-5h5lA:
18.50
6g9bB-5h5lA:
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.
5itq ENDONUCLEASE 8-LIKE
1

(Homo sapiens) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
PF09292
(Neil1-DNA_bind) 		4 ARG A 179
ALA A 180
TYR A 263
GLN A 272
 None
 1.21A 6g9bA-5itqA:
undetectable
6g9bB-5itqA:
undetectable		 6g9bA-5itqA:
14.18
6g9bB-5itqA:
13.77
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.
5ixu UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF07978
(NIPSNAP) 		4 ARG A  72
ALA A  40
TYR A  39
ILE A  35
 SO4  A 201 (-3.7A)
None
None
None
 1.16A 6g9bA-5ixuA:
undetectable
6g9bB-5ixuA:
undetectable		 6g9bA-5ixuA:
19.66
6g9bB-5ixuA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwr CIRCADIAN CLOCK
PROTEIN KAIB
CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase)
PF07689
(KaiB) 		4 ARG A 130
ALA A 126
GLN A 116
ILE B  77
 None
 1.36A 6g9bA-5jwrA:
undetectable
6g9bB-5jwrA:
undetectable		 6g9bA-5jwrA:
16.07
6g9bB-5jwrA:
14.80
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.
5mll DNA PROCESSING CHAIN
A (DPRA)

(Helicobacter
pylori) 		no annotation 4 ARG A  67
ALA A  66
GLN A 208
ILE A 207
 None
 1.37A 6g9bA-5mllA:
undetectable
6g9bB-5mllA:
undetectable		 6g9bA-5mllA:
21.95
6g9bB-5mllA:
23.75
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		4 ARG A 318
ALA A 322
TYR A 321
ILE A 330
 ACT  A 405 (-3.8A)
None
None
None
 1.47A 6g9bA-5mvdA:
undetectable
6g9bB-5mvdA:
undetectable		 6g9bA-5mvdA:
12.43
6g9bB-5mvdA:
14.01
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00037
(Fer4)
PF00384
(Molybdopterin)
PF12838
(Fer4_7) 		4 ARG B 174
ALA F 273
GLN F 268
ILE F 266
 None
 1.45A 6g9bA-5t5iB:
undetectable
6g9bB-5t5iB:
undetectable		 6g9bA-5t5iB:
12.31
6g9bB-5t5iB:
11.01
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 ARG A  23
ALA A  20
GLN A 315
ILE A 314
 None
 1.44A 6g9bA-5twbA:
undetectable
6g9bB-5twbA:
undetectable		 6g9bA-5twbA:
11.99
6g9bB-5twbA:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		4 ALA A  87
TYR A  89
GLN A  75
ILE A  78
 None
 1.46A 6g9bA-5vmbA:
undetectable
6g9bB-5vmbA:
undetectable		 6g9bA-5vmbA:
11.37
6g9bB-5vmbA:
11.60
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		4 ARG A  12
ALA A 278
GLN A 156
ILE A 153
 None
 1.39A 6g9bA-5wgxA:
undetectable
6g9bB-5wgxA:
undetectable		 6g9bA-5wgxA:
8.52
6g9bB-5wgxA:
8.17
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.
5x7k LIPASE B

(Serratia
marcescens) 		no annotation 4 ALA A 481
TYR A 410
GLN A 474
ILE A 415
 None
 1.15A 6g9bA-5x7kA:
undetectable
6g9bB-5x7kA:
undetectable		 6g9bA-5x7kA:
14.66
6g9bB-5x7kA:
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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 184
TYR A 218
GLN A 176
ILE A 179
 None
 1.20A 6g9bA-5xd7A:
undetectable
6g9bB-5xd7A:
undetectable		 6g9bA-5xd7A:
12.50
6g9bB-5xd7A:
12.42
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 4 ALA A  18
TYR A  19
GLN A  57
ILE A  26
 None
 1.33A 6g9bA-5ybwA:
undetectable
6g9bB-5ybwA:
undetectable		 6g9bA-5ybwA:
16.87
6g9bB-5ybwA:
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 4 ARG A1069
ALA A 922
GLN A 611
ILE A 626
 None
 1.47A 6g9bA-5yimA:
undetectable
6g9bB-5yimA:
undetectable		 6g9bA-5yimA:
20.24
6g9bB-5yimA:
24.73
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.
5zzk MONOFUNCTIONAL
GLYCOSYLTRANSFERASE

(Staphylococcus
aureus) 		no annotation 4 ALA A  95
TYR A  91
GLN A 215
ILE A 211
 None
 1.41A 6g9bA-5zzkA:
undetectable
6g9bB-5zzkA:
undetectable		 6g9bA-5zzkA:
18.82
6g9bB-5zzkA:
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 4 ALA A  43
TYR A  40
GLN A  51
ILE A  48
 None
 0.96A 6g9bA-6ar3A:
undetectable
6g9bB-6ar3A:
undetectable		 6g9bA-6ar3A:
13.07
6g9bB-6ar3A:
12.17
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A 382
ALA A  12
TYR A 817
ILE A 341
 None
 1.22A 6g9bA-6c6lA:
undetectable
6g9bB-6c6lA:
undetectable		 6g9bA-6c6lA:
11.25
6g9bB-6c6lA:
16.25
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.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 4 ARG A 453
ALA A 454
GLN A 516
ILE A 373
 None
 1.09A 6g9bA-6cgmA:
undetectable
6g9bB-6cgmA:
undetectable		 6g9bA-6cgmA:
18.18
6g9bB-6cgmA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC5

(Saccharomyces
cerevisiae) 		no annotation 4 ALA M  91
TYR M  90
GLN M 146
ILE M 123
 None
 1.32A 6g9bA-6eu2M:
undetectable
6g9bB-6eu2M:
undetectable		 6g9bA-6eu2M:
21.84
6g9bB-6eu2M:
15.85