SIMILAR PATTERNS OF AMINO ACIDS FOR 6GNF_C_QPSC602

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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 GLY A 114
LEU A 115
TYR A 256
HIS A 345
VAL A 420
 PLP  A 999 ( 3.6A)
GLC  A 997 (-3.8A)
GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
 0.66A 6gnfC-1e4oA:
23.9		 6gnfC-1e4oA:
22.03
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 GLY A  18
LEU A  19
TRP A 139
HIS A 163
PHE A 167
VAL A 213
CYH A 378
 None
 0.95A 6gnfC-1rzvA:
41.3		 6gnfC-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) 		8 THR A  16
GLY A  18
LEU A  19
TYR A  96
TRP A 139
HIS A 163
PHE A 167
VAL A 213
 None
 0.75A 6gnfC-1rzvA:
41.3		 6gnfC-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.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		5 GLY A 180
TYR A 256
SER A 250
PHE A  52
VAL A 203
 None
 1.42A 6gnfC-1v72A:
undetectable		 6gnfC-1v72A:
20.83
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		5 GLY 1 270
LEU 1 300
SER 1 403
VAL 1 239
CYH 1 240
 None
 1.44A 6gnfC-1wao1:
undetectable		 6gnfC-1wao1:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		5 GLY A 269
LEU A 270
SER A 122
VAL A  31
CYH A 111
 None
 1.47A 6gnfC-1woiA:
2.6		 6gnfC-1woiA:
19.57
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 GLY A 135
LEU A 136
TYR A 280
HIS A 377
VAL A 455
 PLP  A 860 ( 3.3A)
None
None
None
None
 0.76A 6gnfC-1ygpA:
20.8		 6gnfC-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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 GLY A 114
LEU A 115
TYR A 245
HIS A 334
VAL A 408
 PO4  A1794 (-3.4A)
None
None
FMT  A1799 (-3.9A)
None
 0.90A 6gnfC-2c4mA:
22.7		 6gnfC-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.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 GLY A  32
LEU A  28
HIS A 136
PHE A 118
VAL A 220
 None
 1.29A 6gnfC-2hf8A:
2.4		 6gnfC-2hf8A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 301
TYR A 267
SER A 259
HIS A 232
VAL A 318
 None
 1.41A 6gnfC-2ipiA:
undetectable		 6gnfC-2ipiA:
22.73
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.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 GLY A 336
TYR A 290
TRP A  14
HIS A 325
VAL A  55
 None
None
None
ZN  A1515 ( 3.2A)
None
 1.33A 6gnfC-2w8sA:
undetectable		 6gnfC-2w8sA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 THR A 344
GLY A 646
LEU A 353
VAL A 653
CYH A 305
 None
 1.41A 6gnfC-2wzsA:
undetectable		 6gnfC-2wzsA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 GLY A 257
LEU A 407
HIS A 402
PHE A 364
VAL A 187
 None
 1.39A 6gnfC-3ab4A:
undetectable		 6gnfC-3ab4A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cxl N-CHIMERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		5 GLY A 296
LEU A 297
TYR A 303
SER A 306
HIS A 407
 None
 1.23A 6gnfC-3cxlA:
undetectable		 6gnfC-3cxlA:
22.86
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) 		7 THR A  16
GLY A  18
LEU A  19
TYR A  95
TRP A 138
HIS A 161
VAL A 211
 None
 0.73A 6gnfC-3d1jA:
41.6		 6gnfC-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.
3kez PUTATIVE SUGAR
BINDING PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 145
LEU A 148
TYR A 107
SER A 101
VAL A 226
 None
None
EDO  A  14 (-3.7A)
EDO  A   8 ( 4.8A)
None
 1.21A 6gnfC-3kezA:
undetectable		 6gnfC-3kezA:
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  17
LEU A  18
TYR A  89
TRP A 129
HIS A 151
 CL  A5703 (-4.7A)
GOL  A6500 ( 4.3A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
 0.85A 6gnfC-3l01A:
34.5		 6gnfC-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 LEU A  18
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 GOL  A6500 ( 4.3A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.56A 6gnfC-3l01A:
34.5		 6gnfC-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.
3q3w 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Campylobacter
jejuni) 		PF00694
(Aconitase_C) 		5 GLY A 115
LEU A 114
SER A  71
HIS A 167
PHE A   4
 None
 1.49A 6gnfC-3q3wA:
undetectable		 6gnfC-3q3wA:
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.
3vu4 KMHSV2

(Kluyveromyces
marxianus) 		no annotation 5 LEU A  62
SER A 111
HIS A  63
PHE A 102
CYH A  28
 None
None
SO4  A 408 ( 3.7A)
None
None
 1.43A 6gnfC-3vu4A:
undetectable		 6gnfC-3vu4A:
20.32
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) 		7 THR A  98
GLY A 100
LEU A 101
TRP A 235
HIS A 264
VAL A 321
CYH A 487
 None
SO4  A 704 (-4.1A)
None
SO4  A 701 ( 4.8A)
None
None
None
 0.62A 6gnfC-3vueA:
49.0		 6gnfC-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.
4a2b CELL DIVISION
PROTEIN FTSA,
PUTATIVE

(Thermotoga
maritima) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 THR A 335
GLY A 337
LEU A 213
PHE A 217
VAL A 241
 None
AGS  A1393 (-3.4A)
None
AGS  A1393 ( 4.3A)
None
 1.41A 6gnfC-4a2bA:
undetectable		 6gnfC-4a2bA:
22.75
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.
4a2b CELL DIVISION
PROTEIN FTSA,
PUTATIVE

(Thermotoga
maritima) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 THR A 335
GLY A 338
LEU A 213
PHE A 217
VAL A 241
 None
AGS  A1393 ( 4.5A)
None
AGS  A1393 ( 4.3A)
None
 1.25A 6gnfC-4a2bA:
undetectable		 6gnfC-4a2bA:
22.75
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.
4a2b CELL DIVISION
PROTEIN FTSA,
PUTATIVE

(Thermotoga
maritima) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 THR A 335
GLY A 338
LEU A 213
SER A 189
VAL A 241
 None
AGS  A1393 ( 4.5A)
None
None
None
 1.47A 6gnfC-4a2bA:
undetectable		 6gnfC-4a2bA:
22.75
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 GLY A 138
LEU A 139
TYR A 285
HIS A 379
VAL A 458
 PLP  A 901 (-3.3A)
None
None
None
None
 0.79A 6gnfC-4bqiA:
23.0		 6gnfC-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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 THR A 788
GLY A 548
LEU A 549
SER A 784
TRP A 812
 None
 1.44A 6gnfC-4ci8A:
undetectable		 6gnfC-4ci8A:
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.
4cog KYNURENINE
FORMAMIDASE

(Burkholderia
cenocepacia) 		PF04199
(Cyclase) 		5 THR A 146
GLY A 143
LEU A 108
SER A 154
VAL A 139
 None
 1.31A 6gnfC-4cogA:
undetectable		 6gnfC-4cogA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzp BIFUNCTIONAL
METHYLMALONYL-COA:AC
P
ACYLTRANSFERASE/DECA
RBOXYLASE

(Streptomyces
atroolivaceus) 		no annotation 5 GLY A 219
LEU A 220
TYR A 226
SER A  28
PHE A 223
 None
None
COA  A 401 ( 4.8A)
None
CL  A 402 (-4.9A)
 1.35A 6gnfC-4hzpA:
undetectable		 6gnfC-4hzpA:
21.71
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 GLY A 450
LEU A 480
SER A 590
VAL A 420
CYH A 421
 None
 1.41A 6gnfC-4il1A:
undetectable		 6gnfC-4il1A:
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 GLY A 105
LEU A 106
TYR A 228
HIS A 317
VAL A 384
 None
 0.81A 6gnfC-4l22A:
24.1		 6gnfC-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.
4pet EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Colwellia
psychrerythraea) 		PF03480
(DctP) 		5 THR A 244
GLY A 153
LEU A 246
TYR A 101
HIS A  97
 PYR  A 402 ( 4.1A)
None
PYR  A 402 ( 4.6A)
None
None
 1.23A 6gnfC-4petA:
undetectable		 6gnfC-4petA:
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.
4po5 ALLOPHYCOCYANIN
SUBUNIT ALPHA-B

(Synechocystis
sp. PCC 6803) 		PF00502
(Phycobilisome) 		5 THR A 106
GLY A 108
LEU A 109
SER A   2
VAL A 130
 None
CYC  A 201 ( 4.4A)
None
None
None
 1.25A 6gnfC-4po5A:
undetectable		 6gnfC-4po5A:
13.79
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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		5 THR A 238
GLY A 147
LEU A 240
TYR A  95
HIS A  91
 PYR  A 401 (-3.8A)
None
PYR  A 401 (-4.6A)
PYR  A 401 (-4.6A)
None
 1.26A 6gnfC-5cm6A:
undetectable		 6gnfC-5cm6A:
22.18
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 LEU A  66
SER A 149
HIS A 193
PHE A 120
VAL A 205
 None
 1.44A 6gnfC-5fokA:
undetectable		 6gnfC-5fokA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1u TRANSCRIPTION
INTERMEDIARY FACTOR
1-ALPHA

(Homo sapiens) 		no annotation 5 THR B 947
LEU B 945
SER B 957
VAL B 831
CYH B 852
 None
None
None
None
ZN  B1103 (-2.3A)
 1.45A 6gnfC-5h1uB:
undetectable		 6gnfC-5h1uB:
16.36
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 GLY A 135
LEU A 136
TYR A 280
HIS A 377
VAL A 455
 PLP  A 901 ( 3.8A)
None
None
None
None
 0.68A 6gnfC-5ikpA:
21.7		 6gnfC-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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 GLY A 182
LEU A 183
TYR A 329
HIS A 421
VAL A 584
 GLC  A1001 ( 3.7A)
GLC  A1001 (-4.3A)
None
GLC  A1001 (-3.7A)
None
 0.78A 6gnfC-5lrbA:
23.1		 6gnfC-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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 5 THR A 242
GLY A 113
LEU A 239
HIS A 230
VAL A 125
 None
 1.42A 6gnfC-6f5dA:
undetectable		 6gnfC-6f5dA:
15.69
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.
6gne -

(-) 		no annotation 5 GLY A  42
LEU A  43
SER A 362
HIS A 190
VAL A 244
 ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
None
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
 1.20A 6gnfC-6gneA:
42.4		 6gnfC-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.
6gne -

(-) 		no annotation 7 GLY A  42
LEU A  43
TYR A 127
TRP A 162
HIS A 190
VAL A 244
CYH A 414
 ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
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)
 0.46A 6gnfC-6gneA:
42.4		 6gnfC-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  37
LEU A  38
TYR A 120
TRP A 170
HIS A 199
VAL A 269
CYH A 436
 QPS  A 601 ( 3.0A)
ADP  A 602 ( 3.4A)
QPS  A 601 (-4.1A)
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)
 0.33A 6gnfC-6gngA:
52.3		 6gnfC-6gngA:
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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		5 VAL A  82
ASP A 258
HIS A  43
ASN A  22
ARG A 255
 None
None
None
SO4  A 283 (-3.4A)
SO4  A 283 (-3.1A)
 1.38A 6gnfC-1ajzA:
3.0		 6gnfC-1ajzA:
18.08
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 VAL A 160
ASP A 459
ASN A 421
ASN A 506
PRO A 503
 None
U1  A 521 ( 4.3A)
None
None
None
 1.30A 6gnfC-1b2hA:
undetectable		 6gnfC-1b2hA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		7 ASP A 259
ASP A 307
HIS A 309
ASN A 449
ARG A 534
GLU A 637
GLY A 640
 GLC  A 995 ( 4.4A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.83A 6gnfC-1e4oA:
23.9		 6gnfC-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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 VAL A 121
ASP A  89
GLU A 148
PRO A 107
GLY A 109
 None
NEA  A 500 (-3.4A)
None
NEA  A 500 (-3.8A)
None
 1.41A 6gnfC-1g38A:
undetectable		 6gnfC-1g38A:
22.46
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 VAL A 143
ARG A 246
GLN A  28
PRO A 205
GLY A 196
 AZM  A1400 ( 4.9A)
None
None
None
None
 1.46A 6gnfC-1jd0A:
undetectable		 6gnfC-1jd0A:
20.12
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 VAL A 483
ARG A 272
GLU A 266
GLU A 381
GLY A 380
 None
 1.18A 6gnfC-1jmzA:
undetectable		 6gnfC-1jmzA:
22.60
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) 		5 VAL A  22
ASN A 246
GLU A 376
PRO A 377
GLY A 379
 None
 0.65A 6gnfC-1rzvA:
41.2		 6gnfC-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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY

(Nostoc sp. PCC
7120) 		PF13472
(Lipase_GDSL_2) 		5 ASP A 179
ASP A  16
ASN A  87
ARG A 136
GLU A 130
 None
 1.47A 6gnfC-1vjgA:
3.1		 6gnfC-1vjgA:
18.58
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 ASP A 283
ASP A 339
HIS A 341
ARG A 569
GLU A 672
 None
None
None
PO4  A1900 (-3.7A)
None
 0.83A 6gnfC-1ygpA:
20.8		 6gnfC-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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		6 ASP A 283
ASP A 339
HIS A 341
ASN A 484
ARG A 569
GLY A 675
 None
None
None
None
PO4  A1900 (-3.7A)
PLP  A 860 ( 4.1A)
 0.80A 6gnfC-1ygpA:
20.8		 6gnfC-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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 ASP A  11
ASN A  21
GLU A 254
PRO A 225
GLY A 255
 None
 1.45A 6gnfC-1ym5A:
undetectable		 6gnfC-1ym5A:
18.51
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.
1z3d UBIQUITIN-CONJUGATIN
G ENZYME E2 1

(Caenorhabditis
elegans) 		PF00179
(UQ_con) 		5 VAL A 141
ASP A  90
GLN A 110
PRO A  43
GLY A  51
 None
 1.45A 6gnfC-1z3dA:
undetectable		 6gnfC-1z3dA:
14.77
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.
2bk0 MAJOR ALLERGEN API G
1

(Apium
graveolens) 		PF00407
(Bet_v_1) 		5 VAL A  24
ASP A  82
HIS A 101
PRO A  50
GLY A  48
 None
 1.46A 6gnfC-2bk0A:
undetectable		 6gnfC-2bk0A:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		5 VAL A 391
ASP A 289
ARG A 121
GLU A 114
GLY A  91
 None
None
FAD  A1485 (-2.5A)
FAD  A1485 (-2.5A)
FAD  A1485 (-3.3A)
 1.44A 6gnfC-2braA:
undetectable		 6gnfC-2braA:
23.08
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ASP A 248
ASP A 296
HIS A 298
ASN A 437
GLU A 626
 None
None
None
FMT  A1799 (-3.5A)
None
 1.02A 6gnfC-2c4mA:
22.8		 6gnfC-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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 298
ASP A 291
GLU A 150
PRO A 318
GLY A 313
 None
None
None
None
FAD  A8482 (-3.4A)
 1.34A 6gnfC-2eq9A:
undetectable		 6gnfC-2eq9A:
23.10
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 ASP A 339
HIS A 341
ASN A 484
GLU A 672
GLY A 675
 None
None
None
PLR  A 940 ( 4.5A)
PLR  A 940 (-3.3A)
 0.76A 6gnfC-2gj4A:
21.9		 6gnfC-2gj4A:
21.75
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 VAL A  79
ARG A  70
GLN A 445
PRO A 446
GLY A  66
 None
None
None
None
EDO  A1016 (-3.7A)
 1.47A 6gnfC-2hp3A:
undetectable		 6gnfC-2hp3A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL A 114
ARG A 156
GLU A 425
PRO A 120
GLY A 441
 None
 1.47A 6gnfC-2htvA:
undetectable		 6gnfC-2htvA:
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ASN A 319
GLU A 236
GLN A 237
PRO A 318
GLY A 247
 None
 1.42A 6gnfC-2xpzA:
undetectable		 6gnfC-2xpzA:
23.28
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.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 VAL A 232
HIS A 225
ASN A 234
GLN A 185
GLY A 194
 None
 1.16A 6gnfC-2xq1A:
undetectable		 6gnfC-2xq1A:
23.03
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.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 VAL A 232
HIS A 295
ASN A 234
GLN A 185
GLY A 194
 None
 1.16A 6gnfC-2xq1A:
undetectable		 6gnfC-2xq1A:
23.03
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.
3atb POTASSIUM
INWARDLY-RECTIFYING
CHANNEL, SUBFAMILY
J, MEMBER 6

(Mus musculus) 		PF01007
(IRK) 		5 VAL A 351
ASP A  62
ASN A  71
GLU A 315
GLU A 203
 None
 1.44A 6gnfC-3atbA:
undetectable		 6gnfC-3atbA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		5 ASP A 293
ASN A  64
ARG A 245
GLU A 242
GLY A 228
 None
 1.36A 6gnfC-3bb8A:
undetectable		 6gnfC-3bb8A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 ASP A 339
HIS A 341
ASN A 484
GLU A 672
GLY A 675
 None
None
NBG  A   1 (-3.3A)
NBG  A   1 (-3.5A)
PLP  A 832 ( 3.3A)
 0.76A 6gnfC-3cemA:
23.2		 6gnfC-3cemA:
22.16
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) 		5 VAL A  22
ASP A 137
HIS A 139
ASN A 246
GLY A 380
 None
 0.89A 6gnfC-3d1jA:
41.7		 6gnfC-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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ASN A 205
ARG A 170
GLN A 193
GLU A 201
GLY A 199
 None
 1.26A 6gnfC-3dduA:
3.4		 6gnfC-3dduA:
22.04
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.
3dmk DOWN SYNDROME CELL
ADHESION MOLECULE
(DSCAM) ISOFORM
1.30.30, N-TERMINAL
EIGHT IG DOMAINS

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 VAL A 373
ASP A  15
HIS A  97
PRO A 336
GLY A 334
 None
 1.50A 6gnfC-3dmkA:
undetectable		 6gnfC-3dmkA:
21.29
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 VAL A 653
GLU A 404
GLN A 422
GLU A 599
GLY A 648
 None
 1.34A 6gnfC-3gitA:
undetectable		 6gnfC-3gitA:
22.24
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 ASP A 287
HIS A 289
GLU A  41
GLU A 129
GLY A 196
 EOH  A 348 ( 4.5A)
None
None
None
None
 1.43A 6gnfC-3h4xA:
undetectable		 6gnfC-3h4xA:
23.49
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.
3igf ALL4481 PROTEIN

(Nostoc sp. PCC
7120) 		PF02374
(ArsA_ATPase) 		5 VAL A 321
ASN A 360
ARG A 232
GLU A 262
GLY A 236
 None
 1.31A 6gnfC-3igfA:
undetectable		 6gnfC-3igfA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 VAL A 242
ASN A 116
GLU A  95
PRO A 275
GLY A 271
 PLP  A 900 (-4.1A)
None
None
None
None
 1.27A 6gnfC-3k28A:
undetectable		 6gnfC-3k28A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ASP A 128
ASN A 217
GLU A 339
PRO A 340
GLY A 342
 GOL  A6500 (-3.2A)
None
K  A5600 (-4.0A)
K  A5600 ( 4.8A)
K  A5600 (-4.4A)
 0.99A 6gnfC-3l01A:
34.5		 6gnfC-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 ASP A 128
HIS A 130
ASN A 217
GLU A 339
PRO A 340
 GOL  A6500 (-3.2A)
GOL  A6502 ( 3.8A)
None
K  A5600 (-4.0A)
K  A5600 ( 4.8A)
 0.73A 6gnfC-3l01A:
34.5		 6gnfC-3l01A:
28.10
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) 		10 VAL A 104
ASP A 234
HIS A 236
ASN A 265
ASN A 353
ARG A 408
GLN A 412
GLU A 485
PRO A 486
GLY A 488
 None
None
None
SO4  A 704 ( 4.2A)
None
SO4  A 704 (-3.7A)
SO4  A 704 ( 3.7A)
None
None
None
 0.59A 6gnfC-3vueA:
49.0		 6gnfC-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) 		7 VAL A 104
ASP A 234
HIS A 236
ASN A 353
ARG A 408
GLU A 410
GLY A 488
 None
None
None
None
SO4  A 704 (-3.7A)
None
None
 1.32A 6gnfC-3vueA:
49.0		 6gnfC-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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 VAL A 587
ASP A 376
ASN A 585
GLN A 627
GLY A 606
 None
 1.40A 6gnfC-4a2lA:
undetectable		 6gnfC-4a2lA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 288
ASP A 341
HIS A 343
ARG A 573
GLU A 679
 None
 0.77A 6gnfC-4bqiA:
23.0		 6gnfC-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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ASP A 288
ASP A 341
HIS A 343
ASN A 487
ARG A 573
 None
 0.88A 6gnfC-4bqiA:
23.0		 6gnfC-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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ASP A 341
HIS A 343
ASN A 487
ARG A 573
GLY A 682
 None
None
None
None
PLP  A 901 (-3.5A)
 0.76A 6gnfC-4bqiA:
23.0		 6gnfC-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.
4dup QUINONE
OXIDOREDUCTASE

(Rhizobium etli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A  62
ASN A  96
GLU A 128
PRO A 107
GLY A 109
 None
 1.30A 6gnfC-4dupA:
3.7		 6gnfC-4dupA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hln STARCH SYNTHASE I

(Hordeum vulgare) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ASN A 373
GLN A 431
GLU A 504
PRO A 505
GLY A 507
 None
 1.36A 6gnfC-4hlnA:
38.2		 6gnfC-4hlnA:
34.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hln STARCH SYNTHASE I

(Hordeum vulgare) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A 532
GLU A 352
GLN A 431
GLU A 504
GLY A 507
 None
 1.36A 6gnfC-4hlnA:
38.2		 6gnfC-4hlnA:
34.39
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.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		5 VAL A  50
ASP A 257
ASP A 309
HIS A 335
GLY A 105
 None
 1.47A 6gnfC-4hyrA:
undetectable		 6gnfC-4hyrA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENC2

(Yersinia
entomophaga) 		no annotation 5 VAL B 677
ARG B 411
GLN B 388
PRO B 654
GLY B 657
 None
 1.15A 6gnfC-4iglB:
undetectable		 6gnfC-4iglB:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imi SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		5 VAL A 266
ASN A 302
ARG A 341
GLU A 337
PRO A 259
 None
 1.34A 6gnfC-4imiA:
undetectable		 6gnfC-4imiA:
21.62
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 ASP A 279
HIS A 281
ASN A 413
ARG A 498
GLY A 603
 None
 0.82A 6gnfC-4l22A:
24.1		 6gnfC-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.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		5 VAL A 248
ASP A 245
ASN A 156
PRO A  50
GLY A  52
 None
 1.01A 6gnfC-4mx6A:
undetectable		 6gnfC-4mx6A:
22.58
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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 VAL A 245
ASP A 242
ASN A 153
PRO A  47
GLY A  49
 None
 1.04A 6gnfC-4o7mA:
undetectable		 6gnfC-4o7mA:
22.69
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 VAL A2178
ARG A1911
GLN A1890
PRO A2155
GLY A2158
 None
 1.24A 6gnfC-4o9xA:
undetectable		 6gnfC-4o9xA:
14.25
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.
4pxd ALLANTOATE
AMIDOHYDROLASE

(Escherichia
coli) 		PF01546
(Peptidase_M20) 		5 VAL A  59
ASP A 320
ASN A 146
PRO A 176
GLY A 143
 None
 1.47A 6gnfC-4pxdA:
undetectable		 6gnfC-4pxdA:
21.64
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 VAL A  63
ASN A 298
GLU A 531
PRO A 532
GLY A 534
 None
 0.94A 6gnfC-4qlbA:
18.8		 6gnfC-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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 VAL A  32
ASP A  10
ASN A   9
PRO A 389
GLY A  24
 None
None
None
None
FMN  A 401 (-3.3A)
 1.12A 6gnfC-4rnwA:
undetectable		 6gnfC-4rnwA:
21.79
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 VAL A 391
ASP A 289
ARG A 121
GLU A 114
GLY A  91
 None
None
FAD  A 702 (-2.8A)
FAD  A 702 (-2.7A)
FAD  A 702 (-3.3A)
 1.47A 6gnfC-4txkA:
2.2		 6gnfC-4txkA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ASN B 174
ARG B 208
GLU B 288
PRO B 289
GLY B 291
 UPG  B 403 (-3.2A)
UPG  B 403 (-3.6A)
UPG  B 403 (-3.5A)
UPG  B 403 (-3.4A)
UPG  B 403 (-3.7A)
 0.89A 6gnfC-4xsrB:
25.6		 6gnfC-4xsrB:
24.50
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.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00551
(Formyl_trans_N) 		5 ASN A 175
GLU A 518
GLN A 523
PRO A 524
GLY A 526
 None
 1.42A 6gnfC-5es6A:
2.8		 6gnfC-5es6A:
22.89
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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C) 		5 ASN A 175
GLU A 518
GLN A 523
PRO A 524
GLY A 526
 None
 1.31A 6gnfC-5es9A:
undetectable		 6gnfC-5es9A:
22.15
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 VAL A 314
ASN A 381
ARG A 287
PRO A 326
GLY A 324
 None
 1.14A 6gnfC-5ficA:
undetectable		 6gnfC-5ficA:
21.51
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.
5hmp UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF00063
(Myosin_head) 		5 VAL A 293
ASP A 213
ARG A 246
GLU A 243
GLY A 289
 None
 1.18A 6gnfC-5hmpA:
undetectable		 6gnfC-5hmpA:
22.21
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 VAL A 314
ASN A 381
ARG A 287
PRO A 326
GLY A 324
 None
None
NAG  A 703 (-3.4A)
None
None
 1.23A 6gnfC-5hqnA:
undetectable		 6gnfC-5hqnA:
22.36
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 ASP A 339
HIS A 341
ASN A 484
GLU A 672
GLY A 675
 None
None
None
None
PLP  A 901 (-3.3A)
 0.63A 6gnfC-5ikpA:
21.7		 6gnfC-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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ASP L 140
ASP L 131
GLU L 199
PRO L 203
GLY L  24
 None
 1.35A 6gnfC-5jfcL:
undetectable		 6gnfC-5jfcL:
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.
5jif HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 VAL A 113
ASP A  90
ASN A  80
GLU A 105
GLY A 106
 None
 1.34A 6gnfC-5jifA:
undetectable		 6gnfC-5jifA:
21.79
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		no annotation 5 ASN C 175
GLU C 518
GLN C 523
PRO C 524
GLY C 526
 None
 1.45A 6gnfC-5jnfC:
2.9		 6gnfC-5jnfC:
21.60
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.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 5 VAL B 676
ARG B 411
GLN B 388
PRO B 653
GLY B 656
 None
CL  B1002 (-4.2A)
None
None
None
 1.20A 6gnfC-5kisB:
undetectable		 6gnfC-5kisB:
19.71
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.
5kkp PSEUDOURIDYLATE
SYNTHASE 7

(Homo sapiens) 		PF01142
(TruD) 		5 ASN A 471
GLU A 445
GLN A 447
PRO A 468
GLY A 465
 None
 1.35A 6gnfC-5kkpA:
undetectable		 6gnfC-5kkpA:
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		7 ASP A 332
ASP A 383
HIS A 385
ASN A 613
ARG A 699
GLU A 806
GLY A 809
 None
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.95A 6gnfC-5lrbA:
23.1		 6gnfC-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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 ASP A 333
HIS A 358
ASN A 332
GLU A  41
GLY A 328
 GOL  A 819 ( 2.5A)
ZN  A 807 ( 3.3A)
None
None
None
 1.45A 6gnfC-5m11A:
undetectable		 6gnfC-5m11A:
22.77
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 ASP F  52
ASN E 197
ARG F 357
PRO E 234
GLY E 232
 None
 1.48A 6gnfC-5odrF:
undetectable		 6gnfC-5odrF:
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.
5ohs -

(-) 		no annotation 5 ASP A 487
HIS A 520
GLU A 391
GLU A 117
GLY A 472
 NSQ  A 709 ( 4.8A)
NSQ  A 709 (-3.9A)
None
None
None
 1.48A 6gnfC-5ohsA:
undetectable		 6gnfC-5ohsA:
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.
5txe ATXE2

(Asticcacaulis
excentricus) 		PF00326
(Peptidase_S9) 		5 VAL A 233
ASP A 180
ASN A 182
ARG A 155
GLY A 239
 None
 1.03A 6gnfC-5txeA:
undetectable		 6gnfC-5txeA:
21.24
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.
5umg DIHYDROPTEROATE
SYNTHASE

(Klebsiella
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASN A  22
ARG A 118
GLU A 122
GLU A  74
GLY A  59
 None
 1.43A 6gnfC-5umgA:
undetectable		 6gnfC-5umgA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A  27
ASN A 269
GLU A 509
PRO A 510
GLY A 512
 None
None
UDP  A 801 (-3.9A)
None
UDP  A 801 (-3.5A)
 0.87A 6gnfC-5vncA:
21.0		 6gnfC-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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 5 VAL A 476
ASN A 429
GLU A 480
PRO A 452
GLY A 479
 None
 1.34A 6gnfC-5wdxA:
undetectable		 6gnfC-5wdxA:
21.82
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 VAL A  28
ASP A  11
GLU A 176
GLU A 120
GLY A   6
 None
INS  A 301 (-2.7A)
SO4  A 302 ( 4.9A)
None
None
 1.46A 6gnfC-5ysqA:
6.9		 6gnfC-5ysqA:
9.21
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 VAL A  97
HIS C  36
ASN A 140
PRO A 142
GLY A 144
 None
 1.47A 6gnfC-6cfwA:
undetectable		 6gnfC-6cfwA:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 5 VAL A 283
ASP A 362
ASN A 320
ASN A 252
GLU A 294
 None
 1.37A 6gnfC-6cgmA:
undetectable		 6gnfC-6cgmA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 VAL A 248
HIS A 430
ARG A  48
GLU A 176
GLU A 301
 None
 1.13A 6gnfC-6etzA:
undetectable		 6gnfC-6etzA:
9.56
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.
6f0k CYTOCHROME C FAMILY
PROTEIN
FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 VAL A 133
ASP A 119
ARG B 958
GLU B 955
PRO A 203
 HEC  A 303 (-4.1A)
None
HEC  A 302 (-3.7A)
None
HEC  A 302 (-4.1A)
 1.16A 6gnfC-6f0kA:
undetectable		 6gnfC-6f0kA:
10.54
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.
6gne -

(-) 		no annotation 6 ASP A 132
ASN A 277
ARG A 332
GLU A 412
PRO A 413
GLY A 415
 None
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.94A 6gnfC-6gneA:
42.4		 6gnfC-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.
6gne -

(-) 		no annotation 9 VAL A  46
ASP A 161
ASN A 191
ASN A 277
ARG A 332
GLN A 336
GLU A 412
PRO A 413
GLY A 415
 ACR  A 602 (-4.9A)
ACR  A 602 (-3.4A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.1A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.53A 6gnfC-6gneA:
42.4		 6gnfC-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 11 VAL A  41
ASP A 127
ASP A 169
HIS A 171
ASN A 200
ASN A 301
ARG A 356
GLN A 360
GLU A 434
PRO A 435
GLY A 437
 None
QPS  A 601 (-2.9A)
QPS  A 601 (-3.3A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.2A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 ( 3.7A)
QPS  A 601 (-3.9A)
ADP  A 602 ( 3.6A)
 0.41A 6gnfC-6gngA:
52.3		 6gnfC-6gngA:
undetectable