SIMILAR PATTERNS OF AMINO ACIDS FOR 6GNF_A_QPSA602_2

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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 GLY B1793
GLY B1792
HIS B1791
VAL B1531
GLU B1541
 None
 1.35A 6gnfA-1a9xB:
2.9		 6gnfA-1a9xB:
20.68
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 GLY A 113
GLY A 114
TYR A 256
HIS A 345
VAL A 420
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
 0.72A 6gnfA-1e4oA:
24.0		 6gnfA-1e4oA:
22.03
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 257
GLY A 256
TYR A 405
HIS A 114
VAL A 135
 SO4  A 500 ( 3.9A)
None
SO4  A 500 (-4.3A)
None
None
 1.26A 6gnfA-1hkwA:
undetectable		 6gnfA-1hkwA:
21.89
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 THR A 158
GLY A 157
GLY A 202
HIS A 167
VAL A 207
 None
CA  A 442 (-4.3A)
CA  A 442 (-4.0A)
None
None
 1.14A 6gnfA-1mwoA:
undetectable		 6gnfA-1mwoA:
19.54
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.
1qgi PROTEIN
(CHITOSANASE)

(Bacillus
circulans) 		PF01374
(Glyco_hydro_46) 		5 THR A 180
GLY A 181
GLY A 182
TYR A 151
VAL A 213
 None
 1.13A 6gnfA-1qgiA:
undetectable		 6gnfA-1qgiA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
GLY A  17
GLY A  18
HIS A 163
VAL A 213
CYH A 378
 None
 0.75A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		7 THR A  16
GLY A  17
GLY A  18
TYR A  96
TRP A 139
HIS A 163
VAL A 213
 None
 0.60A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
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.
1sg3 ALLANTOICASE

(Saccharomyces
cerevisiae) 		PF03561
(Allantoicase) 		5 THR A 236
GLY A 333
GLY A 334
TRP A 247
VAL A 264
 None
 1.47A 6gnfA-1sg3A:
undetectable		 6gnfA-1sg3A:
20.55
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 THR A 179
GLY A 182
GLY A 184
VAL A 194
GLU A 158
 PLP  A 413 (-3.5A)
None
None
None
None
 1.47A 6gnfA-1ve1A:
3.4		 6gnfA-1ve1A:
21.39
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 GLY A 352
GLY A 353
VAL A 191
GLU A 346
CYH A 358
 None
 1.38A 6gnfA-1xfiA:
3.6		 6gnfA-1xfiA:
20.55
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 GLY A 134
GLY A 135
TYR A 280
HIS A 377
VAL A 455
 PO4  A1900 (-3.7A)
PLP  A 860 ( 3.3A)
None
None
None
 0.80A 6gnfA-1ygpA:
20.5		 6gnfA-1ygpA:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 THR A 558
GLY A 384
TYR A 151
HIS A  82
GLU A 145
 None
 1.23A 6gnfA-1z8lA:
3.0		 6gnfA-1z8lA:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 THR A 558
GLY A 385
GLY A 384
TYR A 151
HIS A  82
 None
 1.25A 6gnfA-1z8lA:
3.0		 6gnfA-1z8lA:
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 GLY A 113
GLY A 114
TYR A 245
HIS A 334
VAL A 408
 PO4  A1794 (-3.5A)
PO4  A1794 (-3.4A)
None
FMT  A1799 (-3.9A)
None
 0.92A 6gnfA-2c4mA:
23.0		 6gnfA-2c4mA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ga8 HYPOTHETICAL 39.9
KDA PROTEIN

(Saccharomyces
cerevisiae) 		PF07728
(AAA_5) 		5 THR A 130
GLY A 129
GLY A 128
TYR A 111
GLU A  89
 None
 1.33A 6gnfA-2ga8A:
undetectable		 6gnfA-2ga8A:
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 THR A 144
GLY A 104
GLY A 103
HIS A 141
GLU A 107
 None
 1.34A 6gnfA-2gfqA:
undetectable		 6gnfA-2gfqA:
23.51
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 THR A 144
GLY A 104
GLY A 103
TRP A  97
HIS A 141
 None
 1.28A 6gnfA-2gfqA:
undetectable		 6gnfA-2gfqA:
23.51
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 THR A 187
GLY A 132
GLY A 131
HIS A 127
VAL A  39
 None
 1.48A 6gnfA-2r66A:
9.8		 6gnfA-2r66A:
22.97
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		5 THR A 165
GLY A 169
GLY A 181
TYR A 139
HIS A 127
 None
 1.50A 6gnfA-2v28A:
undetectable		 6gnfA-2v28A:
20.29
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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 THR A  45
GLY A  82
GLY A  81
VAL A  50
CYH A  78
 None
 1.46A 6gnfA-2zncA:
undetectable		 6gnfA-2zncA:
18.68
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.
3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Shewanella
oneidensis) 		PF03702
(AnmK) 		5 THR A 194
GLY A 170
GLY A 169
VAL A 294
CYH A 295
 None
 1.32A 6gnfA-3cqyA:
undetectable		 6gnfA-3cqyA:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
GLY A  17
GLY A  18
TYR A  95
HIS A 161
VAL A 211
 None
 0.75A 6gnfA-3d1jA:
41.2		 6gnfA-3d1jA:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
GLY A  18
TYR A  95
TRP A 138
HIS A 161
VAL A 211
 None
 0.71A 6gnfA-3d1jA:
41.2		 6gnfA-3d1jA:
30.80
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.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 THR A 188
GLY A 191
GLY A 193
VAL A 203
GLU A 168
 PLP  A 401 (-3.7A)
None
None
None
None
 1.41A 6gnfA-3dwiA:
3.1		 6gnfA-3dwiA:
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.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 205
GLY A 231
TYR A  17
VAL A 348
GLU A 177
 None
None
ADP  A 386 (-4.5A)
None
PO4  A 387 (-2.9A)
 1.38A 6gnfA-3fe1A:
undetectable		 6gnfA-3fe1A:
24.28
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A 223
GLY A 220
HIS A 206
VAL A 189
GLU A 226
 None
 1.45A 6gnfA-3go7A:
7.0		 6gnfA-3go7A:
21.03
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 THR A 622
GLY A 619
GLY A 618
VAL A 775
GLU A 594
 ADP  A1801 (-3.2A)
ADP  A1801 (-3.2A)
ADP  A1801 (-3.8A)
None
None
 1.06A 6gnfA-3k0sA:
2.1		 6gnfA-3k0sA:
19.70
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.
3k9c TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF13377
(Peripla_BP_3) 		5 THR A 226
GLY A 225
GLY A 224
HIS A 190
VAL A 221
 None
 1.40A 6gnfA-3k9cA:
3.0		 6gnfA-3k9cA:
19.74
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  16
GLY A  17
TYR A  89
TRP A 129
HIS A 151
 CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
 0.88A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  16
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 CL  A5703 ( 3.9A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.79A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  17
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.70A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 THR A 158
GLY A 157
GLY A 202
HIS A 167
VAL A 207
 None
CA  A 501 (-4.5A)
CA  A 501 (-4.0A)
None
None
 1.16A 6gnfA-3qgvA:
undetectable		 6gnfA-3qgvA:
21.02
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) 		5 GLY A  99
TRP A 235
HIS A 264
VAL A 321
GLU A 410
 SO4  A 704 (-3.2A)
SO4  A 701 ( 4.8A)
None
None
None
 1.26A 6gnfA-3vueA:
48.7		 6gnfA-3vueA:
43.94
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
GLY A  99
GLY A 100
TRP A 235
HIS A 264
VAL A 321
GLU A 410
CYH A 487
 None
SO4  A 704 (-3.2A)
SO4  A 704 (-4.1A)
SO4  A 701 ( 4.8A)
None
None
None
None
 0.83A 6gnfA-3vueA:
48.7		 6gnfA-3vueA:
43.94
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 THR A 181
GLY A 184
GLY A 186
VAL A 196
GLU A 159
 PLP  A 401 (-3.6A)
None
None
None
None
 1.49A 6gnfA-3x43A:
2.8		 6gnfA-3x43A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 THR A 426
GLY A 423
GLY A 353
VAL A 358
GLU A 219
 1PE  A1553 (-3.7A)
None
None
None
None
 1.45A 6gnfA-4be9A:
2.9		 6gnfA-4be9A:
21.55
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 GLY A 137
GLY A 138
TYR A 285
HIS A 379
VAL A 458
 PLP  A 901 ( 4.2A)
PLP  A 901 (-3.3A)
None
None
None
 0.81A 6gnfA-4bqiA:
22.7		 6gnfA-4bqiA:
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.
4clc UPF0303 PROTEIN
YBR137W

(Saccharomyces
cerevisiae) 		PF03928
(Haem_degrading) 		5 THR E 147
GLY E 130
GLY E 129
HIS E 128
CYH E 107
 None
 1.25A 6gnfA-4clcE:
undetectable		 6gnfA-4clcE:
15.86
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 THR A 193
GLY A 194
GLY A 195
HIS A 199
VAL A 385
 NDP  A 501 ( 4.9A)
NDP  A 501 (-3.4A)
NDP  A 501 (-3.4A)
None
None
 1.32A 6gnfA-4hxyA:
5.5		 6gnfA-4hxyA:
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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		5 THR A 295
GLY A 276
GLY A 353
TYR A 263
HIS A 352
 None
 1.45A 6gnfA-4kq7A:
undetectable		 6gnfA-4kq7A:
22.01
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 GLY A 104
GLY A 105
TYR A 228
HIS A 317
VAL A 384
 None
 0.82A 6gnfA-4l22A:
24.0		 6gnfA-4l22A:
21.12
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 GLY A  58
GLY A  59
HIS A 223
VAL A 276
GLU A 351
 None
 1.08A 6gnfA-4qlbA:
18.3		 6gnfA-4qlbA:
21.55
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 GLY A  58
GLY A  59
TRP A 200
HIS A 223
VAL A 276
 None
 0.72A 6gnfA-4qlbA:
18.3		 6gnfA-4qlbA:
21.55
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.
4r2v CYSTEINE SYNTHETASE

(Helicobacter
pylori) 		PF00291
(PALP) 		5 THR A 253
GLY A 269
TYR A 305
HIS A  38
GLU A 222
 None
 1.15A 6gnfA-4r2vA:
3.0		 6gnfA-4r2vA:
19.10
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 263
GLY A  95
TYR A 287
VAL A  24
GLU A 232
 None
CIT  A 401 (-3.3A)
None
None
None
 1.45A 6gnfA-4rpfA:
undetectable		 6gnfA-4rpfA:
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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 THR A 356
GLY A 355
GLY A 378
VAL A 227
CYH A 262
 None
 1.48A 6gnfA-5ghfA:
undetectable		 6gnfA-5ghfA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 THR A 451
GLY A 450
GLY A 255
TYR A 421
TRP A  10
 None
 1.35A 6gnfA-5gxdA:
undetectable		 6gnfA-5gxdA:
23.58
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 THR A  16
GLY A  15
GLY A  14
HIS A 198
VAL A 200
 FAD  A 601 (-3.8A)
FAD  A 601 (-3.3A)
FAD  A 601 (-3.5A)
None
None
 1.48A 6gnfA-5hy5A:
3.8		 6gnfA-5hy5A:
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 GLY A 134
GLY A 135
TYR A 280
HIS A 377
VAL A 455
 PLP  A 901 ( 4.1A)
PLP  A 901 ( 3.8A)
None
None
None
 0.67A 6gnfA-5ikpA:
21.4		 6gnfA-5ikpA:
21.89
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		5 THR A 358
GLY A 359
GLY A 448
TYR A 333
HIS A 455
 None
 1.37A 6gnfA-5kd5A:
undetectable		 6gnfA-5kd5A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 GLY A 181
GLY A 182
TYR A 329
HIS A 421
VAL A 584
 PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
None
GLC  A1001 (-3.7A)
None
 0.68A 6gnfA-5lrbA:
22.9		 6gnfA-5lrbA:
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A  22
GLY A  23
TRP A 170
HIS A 193
VAL A 247
 None
 0.84A 6gnfA-5vncA:
10.1		 6gnfA-5vncA:
10.84
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A  22
TRP A 170
HIS A 193
VAL A 247
GLU A 322
 None
 1.43A 6gnfA-5vncA:
10.1		 6gnfA-5vncA:
10.84
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.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 5 THR A 317
GLY A 316
GLY A 314
TYR A 293
CYH A 358
 None
 1.44A 6gnfA-5xj1A:
2.2		 6gnfA-5xj1A:
23.06
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 THR A  94
GLY A  93
GLY A  92
HIS A 172
VAL A 326
 None
None
DUV  A 501 (-4.2A)
None
None
 1.43A 6gnfA-5ydlA:
undetectable		 6gnfA-5ydlA:
9.78
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 THR A 238
GLY A 237
GLY A 186
TYR A 347
GLU A 110
 None
 1.37A 6gnfA-6bvdA:
undetectable		 6gnfA-6bvdA:
10.41
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 THR A 238
GLY A 237
TYR A 347
VAL A 334
GLU A 110
 None
 1.38A 6gnfA-6bvdA:
undetectable		 6gnfA-6bvdA:
10.41
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.
6bwc POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
CAPD

(Bacillus
thuringiensis) 		no annotation 5 THR A  14
GLY A  13
GLY A  18
VAL A 170
GLU A  49
 NAP  A 401 (-3.5A)
NAP  A 401 ( 4.5A)
None
NAP  A 401 (-4.0A)
None
 1.41A 6gnfA-6bwcA:
3.5		 6gnfA-6bwcA:
9.57
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.
6gne -

(-) 		no annotation 7 GLY A  41
GLY A  42
TYR A 127
TRP A 162
HIS A 190
VAL A 244
CYH A 414
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
ACR  A 602 (-4.3A)
 0.48A 6gnfA-6gneA:
42.1		 6gnfA-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.
6gng -

(-) 		no annotation 8 THR A  35
GLY A  36
GLY A  37
TYR A 120
TRP A 170
HIS A 199
VAL A 269
CYH A 436
 QPS  A 601 ( 3.0A)
ADP  A 602 ( 3.5A)
ADP  A 602 ( 3.4A)
QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.4A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-4.8A)
 0.28A 6gnfA-6gngA:
54.4		 6gnfA-6gngA:
undetectable