SIMILAR PATTERNS OF AMINO ACIDS FOR 6GNG_B_QPSB601_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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 THR A 443
PRO A 506
VAL A 629
CYH A 159
GLY A 162
 None
 1.49A 6gngB-1cu1A:
undetectable		 6gngB-1cu1A:
22.02
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 THR A 262
HIS A 367
PRO A 257
GLU A 194
GLY A 183
 None
 1.44A 6gngB-1e4oA:
23.3		 6gngB-1e4oA:
23.05
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 TYR A 256
HIS A 345
VAL A 420
GLU A 637
GLY A 640
 GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.77A 6gngB-1e4oA:
23.3		 6gngB-1e4oA:
23.05
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 289
THR A  56
PRO A 118
VAL A 185
GLY A 178
 None
 1.43A 6gngB-1ee2A:
3.8		 6gngB-1ee2A:
21.10
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(CYTOCHROME SUBUNIT)
FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
no annotation 		5 VAL C  22
TYR A 338
TYR A 306
PRO A 302
GLY C  19
 None
 1.40A 6gngB-1fcdC:
undetectable		 6gngB-1fcdC:
14.24
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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 THR A 131
VAL A 250
TRP A 125
PRO A 144
GLY A 323
 None
 1.44A 6gngB-1n76A:
undetectable		 6gngB-1n76A:
20.33
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 224
VAL A 147
GLU A 268
CYH A 284
GLY A 285
 None
 1.23A 6gngB-1qe0A:
2.7		 6gngB-1qe0A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 VAL A 131
THR A 116
HIS A  33
PRO A  19
GLY A  30
 None
 0.94A 6gngB-1rwrA:
undetectable		 6gngB-1rwrA:
21.54
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
VAL A  22
TYR A  96
TRP A 139
HIS A 163
VAL A 213
 None
 0.48A 6gngB-1rzvA:
40.5		 6gngB-1rzvA:
28.46
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
HIS A 163
VAL A 213
GLU A 376
CYH A 378
 None
 0.72A 6gngB-1rzvA:
40.5		 6gngB-1rzvA:
28.46
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
TRP A 139
HIS A 163
VAL A 213
CYH A 378
 None
 0.79A 6gngB-1rzvA:
40.5		 6gngB-1rzvA:
28.46
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
VAL A 213
GLU A 376
CYH A 378
GLY A 379
 None
 0.65A 6gngB-1rzvA:
40.5		 6gngB-1rzvA:
28.46
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 TYR A  24
HIS A 294
PRO A  76
VAL A 305
GLY A 299
 GOL  A 507 (-4.6A)
None
None
None
None
 1.45A 6gngB-2de2A:
undetectable		 6gngB-2de2A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1b AMINOTRANSFERASE,
CLASS I

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 TYR A 229
THR A  98
TYR A 203
VAL A 291
GLY A  39
 None
PLP  A 400 (-3.0A)
PLP  A 400 (-4.2A)
None
None
 1.49A 6gngB-2o1bA:
undetectable		 6gngB-2o1bA:
25.24
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.
2o3b NUCLEASE
SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR

(Nostoc sp. PCC
7120) 		PF01223
(Endonuclease_NS)
PF07924
(NuiA) 		5 THR A  75
PRO A  99
VAL B 110
GLU A 163
GLY A 160
 None
None
MES  A 901 (-4.6A)
MG  A 303 ( 3.9A)
MES  A 901 (-3.4A)
 1.47A 6gngB-2o3bA:
undetectable		 6gngB-2o3bA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 TYR A 290
TRP A  14
HIS A 325
VAL A  55
GLY A 339
 None
None
ZN  A1515 ( 3.2A)
None
None
 1.47A 6gngB-2w8sA:
undetectable		 6gngB-2w8sA:
22.31
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		7 THR A  16
VAL A  22
TYR A  95
TRP A 138
HIS A 161
TYR A 165
VAL A 211
 None
 0.71A 6gngB-3d1jA:
40.8		 6gngB-3d1jA:
29.94
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
HIS A 161
VAL A 211
GLU A 377
GLY A 380
 None
 0.93A 6gngB-3d1jA:
40.8		 6gngB-3d1jA:
29.94
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 VAL A  22
TRP A 138
HIS A 161
TYR A 165
VAL A 211
GLY A 380
 None
 1.00A 6gngB-3d1jA:
40.8		 6gngB-3d1jA:
29.94
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 THR A  96
THR A 126
HIS A 306
PRO A 176
GLY A 323
 None
None
None
None
FLC  A 424 (-3.2A)
 1.30A 6gngB-3d6nA:
undetectable		 6gngB-3d6nA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewb 2-ISOPROPYLMALATE
SYNTHASE

(Listeria
monocytogenes) 		PF00682
(HMGL-like) 		5 VAL X 134
THR X 101
VAL X  41
GLU X  43
GLY X  71
 None
 1.45A 6gngB-3ewbX:
undetectable		 6gngB-3ewbX:
18.77
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.
3g3l PUTATIVE
UNCHARACTERIZED
MEMBRANE-ASSOCIATED
PROTEIN

(Bacteroides
fragilis) 		PF12985
(DUF3869) 		5 VAL A  81
THR A 175
TYR A 232
PRO A 162
VAL A 104
 None
 1.36A 6gngB-3g3lA:
undetectable		 6gngB-3g3lA:
20.36
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 THR X  46
VAL X  60
TYR X  98
PRO X 125
VAL X  89
 NDP  X 207 (-3.2A)
None
None
None
None
 1.38A 6gngB-3i8aX:
undetectable		 6gngB-3i8aX:
15.34
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 TYR A  89
TRP A 129
HIS A 151
VAL A 193
GLU A 339
GLY A 342
 GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
K  A5600 (-4.0A)
K  A5600 (-4.4A)
 0.83A 6gngB-3l01A:
34.6		 6gngB-3l01A:
26.28
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.
3l1w UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03372
(Exo_endo_phos) 		5 THR A   5
THR A 198
VAL A  49
GLU A  72
GLY A  73
 None
 1.43A 6gngB-3l1wA:
undetectable		 6gngB-3l1wA:
15.75
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 THR A  90
THR A  79
HIS A  39
PRO A 145
VAL A 336
 None
None
HEM  A 338 (-4.6A)
HEM  A 338 ( 4.6A)
None
 1.42A 6gngB-3q3uA:
undetectable		 6gngB-3q3uA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 VAL A 297
TYR A 312
VAL A 166
CYH A 508
GLY A 509
 None
 1.43A 6gngB-3qkiA:
2.7		 6gngB-3qkiA:
22.70
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		5 THR A 290
VAL A 279
TYR A 197
CYH A 267
GLY A 272
 None
 1.43A 6gngB-3us8A:
2.8		 6gngB-3us8A:
23.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		8 THR A  98
VAL A 104
TRP A 235
HIS A 264
TYR A 268
VAL A 321
CYH A 487
GLY A 488
 None
None
SO4  A 701 ( 4.8A)
None
SO4  A 701 (-4.8A)
None
None
None
 0.66A 6gngB-3vueA:
47.6		 6gngB-3vueA:
46.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		8 THR A  98
VAL A 104
TRP A 235
HIS A 264
VAL A 321
GLU A 485
CYH A 487
GLY A 488
 None
None
SO4  A 701 ( 4.8A)
None
None
None
None
None
 0.49A 6gngB-3vueA:
47.6		 6gngB-3vueA:
46.45
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.
4acq ALPHA-2-MACROGLOBULI
N

(Homo sapiens) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 THR A1268
VAL A1292
TYR A1264
VAL A1278
GLY A1318
 None
 1.43A 6gngB-4acqA:
undetectable		 6gngB-4acqA:
18.16
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 VAL A 507
THR A 516
VAL A  12
CYH A  35
GLY A  34
 None
 1.37A 6gngB-4bziA:
4.9		 6gngB-4bziA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dlo BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR 3

(Homo sapiens) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		5 THR A 627
THR A 599
HIS A 683
VAL A 761
GLY A 688
 None
 1.31A 6gngB-4dloA:
undetectable		 6gngB-4dloA:
19.78
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.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		5 THR A  95
VAL A 161
HIS A  98
VAL A 152
GLY A  79
 None
None
None
ADE  A 301 (-4.2A)
ADE  A 301 (-3.7A)
 1.32A 6gngB-4josA:
2.8		 6gngB-4josA:
20.24
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		5 VAL A 279
THR A 173
VAL A 228
GLU A 266
CYH A 342
 None
 1.32A 6gngB-4krfA:
2.0		 6gngB-4krfA:
20.50
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 THR A 155
VAL A 252
TRP A 256
PRO A 126
GLY A 367
 None
None
GOL  A 503 (-4.6A)
None
None
 1.45A 6gngB-4maaA:
4.7		 6gngB-4maaA:
21.57
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 VAL A 188
TYR A 364
THR A 325
VAL A 204
GLY A 199
 None
 1.02A 6gngB-4nurA:
undetectable		 6gngB-4nurA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 VAL A 188
TYR A 364
THR A 325
VAL A 204
GLY A 200
 None
 1.27A 6gngB-4nurA:
undetectable		 6gngB-4nurA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		5 VAL A 351
TYR A  35
THR A  37
GLU A 163
GLY A 355
 None
None
None
None
NA  A 501 (-4.0A)
 1.39A 6gngB-4nz5A:
undetectable		 6gngB-4nz5A:
21.42
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 VAL A  63
HIS A 223
VAL A 276
GLU A 531
GLY A 534
 None
 1.06A 6gngB-4qlbA:
18.6		 6gngB-4qlbA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 VAL A  63
TRP A 200
HIS A 223
VAL A 276
GLY A 534
 None
 0.75A 6gngB-4qlbA:
18.6		 6gngB-4qlbA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 VAL B 165
TYR A 221
THR A 249
PRO A 298
GLY B 192
 None
 1.49A 6gngB-4um8B:
2.8		 6gngB-4um8B:
21.08
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.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 VAL B 169
TYR A 221
THR A 249
PRO A 298
GLY B 192
 None
 1.45A 6gngB-4um8B:
2.8		 6gngB-4um8B:
21.08
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 VAL A 218
HIS A 180
VAL A 207
CYH A 225
GLY A 224
 None
 1.12A 6gngB-4w91A:
undetectable		 6gngB-4w91A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgj NITRILE HYDRATASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02211
(NHase_beta) 		5 THR B 136
TYR B 201
PRO B 115
GLU B 166
GLY B 165
 None
 1.39A 6gngB-4zgjB:
undetectable		 6gngB-4zgjB:
16.49
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.
5giu PROLINE DIPEPTIDASE

(Deinococcus
radiodurans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 THR A 128
VAL A 333
PRO A   9
GLU A 293
GLY A 286
 None
 1.44A 6gngB-5giuA:
undetectable		 6gngB-5giuA:
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 5 TYR A 146
TRP A 138
HIS A  83
VAL A  85
GLY A  90
 None
 1.46A 6gngB-5gt5A:
undetectable		 6gngB-5gt5A:
22.28
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 VAL A 377
THR A  97
PRO A 396
VAL A 157
GLY A 280
 None
 1.39A 6gngB-5iaiA:
undetectable		 6gngB-5iaiA:
22.40
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 TYR A 280
HIS A 377
VAL A 455
GLU A 672
GLY A 675
 None
None
None
None
PLP  A 901 (-3.3A)
 0.76A 6gngB-5ikpA:
21.5		 6gngB-5ikpA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 THR B 693
VAL B 309
THR B 669
VAL B 444
GLY B 481
 None
 1.36A 6gngB-5l9wB:
undetectable		 6gngB-5l9wB:
24.42
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 TYR A 329
HIS A 421
VAL A 584
GLU A 806
GLY A 809
 None
GLC  A1001 (-3.7A)
None
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.83A 6gngB-5lrbA:
22.4		 6gngB-5lrbA:
21.31
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 VAL A 510
TYR A 490
THR A 493
HIS A 555
GLY A 480
 None
 1.11A 6gngB-5nqdA:
undetectable		 6gngB-5nqdA:
9.27
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.
5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
platensis) 		PF13714
(PEP_mutase) 		5 VAL A  96
TYR A 103
VAL A 248
GLU A  62
GLY A  38
 None
 1.35A 6gngB-5uncA:
undetectable		 6gngB-5uncA:
21.97
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A  27
HIS A 193
VAL A 247
GLU A 509
GLY A 512
 None
None
None
UDP  A 801 (-3.9A)
UDP  A 801 (-3.5A)
 1.01A 6gngB-5vncA:
10.1		 6gngB-5vncA:
10.13
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A  27
TRP A 170
HIS A 193
VAL A 247
GLY A 512
 None
None
None
None
UDP  A 801 (-3.5A)
 0.72A 6gngB-5vncA:
10.1		 6gngB-5vncA:
10.13
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 THR A 586
VAL A 556
THR A 281
VAL A 526
GLY A 570
 None
 1.36A 6gngB-5xapA:
undetectable		 6gngB-5xapA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfm ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 THR A  64
TYR A 131
PRO A  43
VAL A 286
GLY A 218
 None
 1.48A 6gngB-5xfmA:
2.1		 6gngB-5xfmA:
9.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zq4 SIDE

(Legionella
pneumophila) 		no annotation 5 TYR B 421
HIS B 403
TYR B 285
VAL B 331
GLY B 275
 None
AMP  B 601 (-3.9A)
None
None
None
 1.44A 6gngB-5zq4B:
undetectable		 6gngB-5zq4B:
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.
6gne -

(-) 		no annotation 9 VAL A  46
TYR A 127
TRP A 162
HIS A 190
TYR A 194
VAL A 244
GLU A 412
CYH A 414
GLY A 415
 ACR  A 602 (-4.9A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.0A)
ACR  A 602 (-4.3A)
ACR  A 602 (-3.7A)
ACR  A 602 (-4.3A)
ADP  A 601 ( 3.5A)
 0.48A 6gngB-6gneA:
42.2		 6gngB-6gneA:
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.
6gnf -

(-) 		no annotation 6 THR A  17
VAL A  23
TYR A 101
PRO A 216
GLU A 414
GLY A 417
 QPS  A 602 (-3.2A)
None
QPS  A 602 (-3.9A)
None
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 1.33A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6gnf -

(-) 		no annotation 10 THR A  17
VAL A  23
TYR A 101
TRP A 152
HIS A 181
PRO A 215
VAL A 251
GLU A 414
CYH A 416
GLY A 417
 QPS  A 602 (-3.2A)
None
QPS  A 602 (-3.9A)
SO4  A 606 ( 3.3A)
QPS  A 602 (-4.1A)
SO4  A 606 (-4.7A)
QPS  A 602 ( 4.6A)
QPS  A 602 (-3.6A)
QPS  A 602 (-4.9A)
QPS  A 602 (-3.7A)
 0.35A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
undetectable