SIMILAR PATTERNS OF AMINO ACIDS FOR 4GRQ_C_AVLC203

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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 PHE A 198
PRO A 305
TYR A 314
PHE A 226
 None
 1.39A 4grqA-1gplA:
0.0
4grqC-1gplA:
0.0		 4grqA-1gplA:
13.67
4grqC-1gplA:
13.67
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.
1iuk HYPOTHETICAL PROTEIN
TT1466

(Thermus
thermophilus) 		PF13380
(CoA_binding_2) 		4 PHE A  56
PRO A  28
TYR A  31
PHE A  77
 None
 1.50A 4grqA-1iukA:
0.4
4grqC-1iukA:
0.1		 4grqA-1iukA:
20.13
4grqC-1iukA:
20.13
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 PHE B 198
PRO B 305
TYR B 314
PHE B 226
 None
 1.34A 4grqA-1lpbB:
0.0
4grqC-1lpbB:
0.0		 4grqA-1lpbB:
13.48
4grqC-1lpbB:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PHE B 294
TYR B 290
GLN B 274
PHE B 395
 None
 1.45A 4grqA-1lwuB:
0.0
4grqC-1lwuB:
0.0		 4grqA-1lwuB:
17.78
4grqC-1lwuB:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwu FIBRINOGEN BETA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PHE B 294
TYR B 290
TRP B 313
PHE B 395
 None
 1.28A 4grqA-1lwuB:
0.0
4grqC-1lwuB:
0.0		 4grqA-1lwuB:
17.78
4grqC-1lwuB:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		4 PHE C 215
TYR C 211
GLN C 195
PHE C 310
 None
 1.41A 4grqA-1lwuC:
0.0
4grqC-1lwuC:
0.0		 4grqA-1lwuC:
16.90
4grqC-1lwuC:
16.90
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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		4 PHE C 215
TYR C 211
TRP C 227
PHE C 310
 None
 1.17A 4grqA-1lwuC:
0.0
4grqC-1lwuC:
0.0		 4grqA-1lwuC:
16.90
4grqC-1lwuC:
16.90
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.
1pv5 HYPOTHETICAL PROTEIN
YWQG

(Bacillus
subtilis) 		PF09234
(DUF1963) 		4 PHE A 175
PRO A 155
TYR A 183
PHE A 160
 None
 1.22A 4grqA-1pv5A:
0.0
4grqC-1pv5A:
0.0		 4grqA-1pv5A:
19.48
4grqC-1pv5A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 PHE A1128
TYR A1102
PRO A1007
TRP A1130
 None
 1.47A 4grqA-1vprA:
0.0
4grqC-1vprA:
0.0		 4grqA-1vprA:
15.78
4grqC-1vprA:
15.78
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 PHE X 200
PRO X 307
TYR X 316
PHE X 228
 None
 1.28A 4grqA-1w52X:
0.0
4grqC-1w52X:
0.0		 4grqA-1w52X:
15.25
4grqC-1w52X:
15.25
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 PHE A 105
TYR A 103
PRO A 407
PHE A 398
 None
 1.49A 4grqA-1yq2A:
0.0
4grqC-1yq2A:
0.0		 4grqA-1yq2A:
7.76
4grqC-1yq2A:
7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z2o INOSITOL
1,3,4-TRISPHOSPHATE
5/6-KINASE

(Entamoeba
histolytica) 		PF05770
(Ins134_P3_kin) 		4 PHE X  22
PRO X 294
TYR X 296
PHE X 293
 None
I4P  X2699 (-4.6A)
None
None
 1.24A 4grqA-1z2oX:
undetectable
4grqC-1z2oX:
undetectable		 4grqA-1z2oX:
17.45
4grqC-1z2oX:
17.45
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.
2b7l GLYCEROL-3-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		4 PHE A  40
GLN A  76
TYR A   7
PHE A  99
 None
 1.15A 4grqA-2b7lA:
undetectable
4grqC-2b7lA:
undetectable		 4grqA-2b7lA:
17.42
4grqC-2b7lA:
17.42
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		4 PHE A  41
PRO A 416
GLN A  42
TYR A 385
 None
 1.38A 4grqA-2d1gA:
undetectable
4grqC-2d1gA:
undetectable		 4grqA-2d1gA:
13.76
4grqC-2d1gA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fz0 INHIBITS
ATP-DEPENDENT CA(2+)
TRANSPORT ACTIVITY
OF PMC1P IN THE
VACUOLAR MEMBRANE
NYV1P
V-SNARE COMPONENT OF
THE VACUOLAR SNARE
COMPLEX INVOLVED IN
VESICLE FUSION

(Saccharomyces
cerevisiae) 		PF09426
(Nyv1_N) 		4 PHE A  25
PRO A  43
GLN A  23
PHE A  46
 None
 1.20A 4grqA-2fz0A:
undetectable
4grqC-2fz0A:
undetectable		 4grqA-2fz0A:
20.62
4grqC-2fz0A:
20.62
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.
2hsn GU4 NUCLEIC-BINDING
PROTEIN 1
METHIONYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF09635
(MetRS-N)
no annotation 		4 PHE A  58
TYR A  69
GLN B  26
PHE A  74
 None
 1.40A 4grqA-2hsnA:
undetectable
4grqC-2hsnA:
undetectable		 4grqA-2hsnA:
21.38
4grqC-2hsnA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i51 UNCHARACTERIZED
CONSERVED PROTEIN OF
COG5135

(Nostoc
punctiforme) 		PF12766
(Pyridox_oxase_2) 		4 PHE A  87
PRO A  81
GLN A  86
TYR A  79
 None
 1.29A 4grqA-2i51A:
undetectable
4grqC-2i51A:
undetectable		 4grqA-2i51A:
21.24
4grqC-2i51A:
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.
2ime 2-HYDROXYCHROMENE-2-
CARBOXYLATE
ISOMERASE

(Pseudomonas
putida) 		PF01323
(DSBA) 		4 PHE A   9
TYR A 105
PRO A 126
PHE A 140
 None
 1.32A 4grqA-2imeA:
undetectable
4grqC-2imeA:
undetectable		 4grqA-2imeA:
18.52
4grqC-2imeA:
18.52
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.
2qdr UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF14499
(DUF4437) 		4 PHE A  55
TYR A 260
GLN A  53
TYR A 262
 None
 1.31A 4grqA-2qdrA:
undetectable
4grqC-2qdrA:
undetectable		 4grqA-2qdrA:
17.69
4grqC-2qdrA:
17.69
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.
2wbp L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
vinaceus) 		PF02668
(TauD) 		4 PHE A 132
PRO A 175
TYR A 176
TRP A 134
 None
 1.45A 4grqA-2wbpA:
0.5
4grqC-2wbpA:
undetectable		 4grqA-2wbpA:
16.62
4grqC-2wbpA:
16.62
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.
2xbt CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00942
(CBM_3) 		4 TYR A  49
PRO A 134
TYR A 133
PHE A  14
 None
 1.20A 4grqA-2xbtA:
undetectable
4grqC-2xbtA:
undetectable		 4grqA-2xbtA:
23.08
4grqC-2xbtA:
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.
3ba0 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		4 PHE A 422
TYR A 393
GLN A 456
PHE A 389
 None
 1.39A 4grqA-3ba0A:
undetectable
4grqC-3ba0A:
undetectable		 4grqA-3ba0A:
14.52
4grqC-3ba0A:
14.52
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.
3dkt MARITIMACIN

(Thermotoga
maritima) 		PF04454
(Linocin_M18) 		4 PHE A 255
PRO A 260
GLN A 256
PHE A 137
 None
 1.44A 4grqA-3dktA:
undetectable
4grqC-3dktA:
undetectable		 4grqA-3dktA:
18.92
4grqC-3dktA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		4 PHE A 303
PRO A 281
GLN A 405
PHE A 276
 None
 1.46A 4grqA-3eafA:
undetectable
4grqC-3eafA:
undetectable		 4grqA-3eafA:
19.00
4grqC-3eafA:
19.00
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.
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 PHE A 215
TYR A 211
GLN A 195
PHE A 312
 None
 1.41A 4grqA-3fibA:
undetectable
4grqC-3fibA:
undetectable		 4grqA-3fibA:
16.06
4grqC-3fibA:
16.06
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.
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 PHE A 215
TYR A 211
TRP A 227
PHE A 312
 None
 1.19A 4grqA-3fibA:
undetectable
4grqC-3fibA:
undetectable		 4grqA-3fibA:
16.06
4grqC-3fibA:
16.06
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		4 PHE A 294
TYR A 287
TRP A 194
PHE A 255
 None
 1.36A 4grqA-3ga7A:
undetectable
4grqC-3ga7A:
undetectable		 4grqA-3ga7A:
15.34
4grqC-3ga7A:
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.
3ggd SAM-DEPENDENT
METHYLTRANSFERASE

(Trichormus
variabilis) 		PF13649
(Methyltransf_25) 		4 PHE A  72
GLN A  69
TYR A 128
PHE A  49
 None
 1.36A 4grqA-3ggdA:
undetectable
4grqC-3ggdA:
undetectable		 4grqA-3ggdA:
21.28
4grqC-3ggdA:
21.28
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.
3ghg FIBRINOGEN GAMMA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PHE C 215
TYR C 211
GLN C 195
PHE C 312
 PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
GLN  C 195 ( 0.6A)
PHE  C 312 ( 1.3A)
 1.39A 4grqA-3ghgC:
undetectable
4grqC-3ghgC:
undetectable		 4grqA-3ghgC:
13.33
4grqC-3ghgC:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ghg FIBRINOGEN GAMMA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PHE C 215
TYR C 211
TRP C 227
PHE C 312
 PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
TRP  C 227 ( 0.5A)
PHE  C 312 ( 1.3A)
 1.29A 4grqA-3ghgC:
undetectable
4grqC-3ghgC:
undetectable		 4grqA-3ghgC:
13.33
4grqC-3ghgC:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iox AGI/II

(Streptococcus
mutans) 		PF06696
(Strep_SA_rep)
PF08363
(GbpC) 		4 TYR A 392
PRO A 871
GLN A 400
TYR A 399
 None
 1.46A 4grqA-3ioxA:
undetectable
4grqC-3ioxA:
undetectable		 4grqA-3ioxA:
13.09
4grqC-3ioxA:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF00278
(Orn_DAP_Arg_deC) 		4 PHE A  45
PRO A 356
TYR A  11
PHE A 373
 None
 1.18A 4grqA-3n29A:
undetectable
4grqC-3n29A:
undetectable		 4grqA-3n29A:
15.06
4grqC-3n29A:
15.06
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 792
PRO A 147
GLN A 789
PHE A 119
 MGD  A1803 (-3.6A)
None
None
None
 1.43A 4grqA-3o5aA:
undetectable
4grqC-3o5aA:
undetectable		 4grqA-3o5aA:
9.67
4grqC-3o5aA:
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.
3orj SUGAR-BINDING
PROTEIN

(Bacteroides
ovatus) 		no annotation 4 PHE A 364
TYR A 352
GLN A 370
PHE A 318
 None
 1.44A 4grqA-3orjA:
undetectable
4grqC-3orjA:
undetectable		 4grqA-3orjA:
15.15
4grqC-3orjA:
15.15
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.
3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Klebsiella
pneumoniae) 		PF08282
(Hydrolase_3) 		4 PHE A 148
TYR A 106
TRP A 111
PHE A 129
 None
None
None
EDO  A 277 (-4.1A)
 0.93A 4grqA-3pgvA:
undetectable
4grqC-3pgvA:
undetectable		 4grqA-3pgvA:
18.18
4grqC-3pgvA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		4 PHE B 280
TYR B 279
PRO A  57
PHE A  54
 None
 1.33A 4grqA-3pr2B:
undetectable
4grqC-3pr2B:
undetectable		 4grqA-3pr2B:
14.21
4grqC-3pr2B:
14.21
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.
3qnm HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		4 PHE A  41
GLN A  49
TYR A  48
PHE A  92
 None
 1.41A 4grqA-3qnmA:
undetectable
4grqC-3qnmA:
undetectable		 4grqA-3qnmA:
20.64
4grqC-3qnmA:
20.64
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.
3tcv GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13302
(Acetyltransf_3) 		4 PHE A 221
PRO A 205
TRP A 202
PHE A 208
 None
 1.35A 4grqA-3tcvA:
undetectable
4grqC-3tcvA:
undetectable		 4grqA-3tcvA:
16.59
4grqC-3tcvA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1x PUTATIVE GLYCOSYL
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		4 PHE A 208
TYR A 171
GLN A 209
TRP A 215
 None
 1.37A 4grqA-3u1xA:
undetectable
4grqC-3u1xA:
undetectable		 4grqA-3u1xA:
16.16
4grqC-3u1xA:
16.16
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.
3vp5 TRANSCRIPTIONAL
REGULATOR

(Lactococcus
lactis) 		PF00440
(TetR_N) 		4 TYR A   6
GLN A  66
TYR A  18
PHE A  53
 CAC  A 202 (-4.6A)
CAC  A 202 (-4.3A)
CAC  A 202 ( 4.2A)
None
 1.39A 4grqA-3vp5A:
undetectable
4grqC-3vp5A:
undetectable		 4grqA-3vp5A:
19.35
4grqC-3vp5A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4epu ANGIOPOIETIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 PHE A 348
TYR A 344
TRP A 356
PHE A 425
 None
 1.23A 4grqA-4epuA:
undetectable
4grqC-4epuA:
undetectable		 4grqA-4epuA:
17.54
4grqC-4epuA:
17.54
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.
4epu ANGIOPOIETIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 TYR A 344
GLN A 328
TRP A 356
PHE A 425
 None
 1.45A 4grqA-4epuA:
undetectable
4grqC-4epuA:
undetectable		 4grqA-4epuA:
17.54
4grqC-4epuA:
17.54
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.
4f9z ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27

(Homo sapiens) 		no annotation 4 PHE D 212
TYR D 225
TYR D 147
PHE D 156
 None
 1.16A 4grqA-4f9zD:
undetectable
4grqC-4f9zD:
undetectable		 4grqA-4f9zD:
18.75
4grqC-4f9zD:
18.75
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.
4grw NANOBODY 22E11

(Lama glama) 		PF07686
(V-set) 		4 PHE H  37
TYR H 110
PRO H 103
TYR H  59
 None
 0.93A 4grqA-4grwH:
undetectable
4grqC-4grwH:
undetectable		 4grqA-4grwH:
18.57
4grqC-4grwH:
18.57
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.
4j9a ENGINEERED
DIGOXIGENIN BINDER
PROTEIN DIG10.3

(Pseudomonas
aeruginosa) 		PF12680
(SnoaL_2) 		4 PHE A  45
PRO A  38
TYR A  41
PHE A 119
 None
DOG  A 201 ( 4.8A)
DOG  A 201 (-4.1A)
DOG  A 201 (-4.4A)
 1.36A 4grqA-4j9aA:
undetectable
4grqC-4j9aA:
undetectable		 4grqA-4j9aA:
19.87
4grqC-4j9aA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		4 PHE A 294
TYR A 287
TRP A 194
PHE A 255
 None
 1.42A 4grqA-4kryA:
undetectable
4grqC-4kryA:
undetectable		 4grqA-4kryA:
19.06
4grqC-4kryA:
19.06
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.
4nlm LMO1340 PROTEIN

(Listeria
monocytogenes) 		no annotation 4 TYR A 302
GLN A 324
TYR A 274
PHE A 271
 None
 1.35A 4grqA-4nlmA:
undetectable
4grqC-4nlmA:
undetectable		 4grqA-4nlmA:
15.19
4grqC-4nlmA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou7 PRIMOSOMAL PROTEIN 1

(Escherichia
coli) 		no annotation 4 TYR A  92
PRO A  85
GLN A  96
PHE A  89
 None
 1.42A 4grqA-4ou7A:
undetectable
4grqC-4ou7A:
undetectable		 4grqA-4ou7A:
20.65
4grqC-4ou7A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 PHE C 329
TYR C 359
PRO C 277
PHE C 278
 3PH  C4006 ( 4.9A)
None
None
AOQ  C4003 ( 4.6A)
 1.35A 4grqA-4pd4C:
undetectable
4grqC-4pd4C:
undetectable		 4grqA-4pd4C:
13.81
4grqC-4pd4C:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		4 TYR A 307
PRO A 314
TYR A 313
PHE A  68
 None
 1.46A 4grqA-4pwyA:
undetectable
4grqC-4pwyA:
undetectable		 4grqA-4pwyA:
16.29
4grqC-4pwyA:
16.29
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		4 PHE A 221
TYR A 202
PRO A 210
TYR A 209
 None
 1.31A 4grqA-4q88A:
undetectable
4grqC-4q88A:
undetectable		 4grqA-4q88A:
15.32
4grqC-4q88A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q9a TAT PATHWAY SIGNAL
SEQUENCE DOMAIN
PROTEIN

(Parabacteroides
merdae) 		PF13472
(Lipase_GDSL_2) 		4 PHE A 214
TYR A  78
TRP A 249
PHE A  51
 None
 1.39A 4grqA-4q9aA:
undetectable
4grqC-4q9aA:
undetectable		 4grqA-4q9aA:
18.78
4grqC-4q9aA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s10 GELSOLIN NANOBODY

(Lama glama) 		PF07686
(V-set) 		4 PHE A  37
TYR A 114
PRO A 106
GLN A 109
 None
 0.99A 4grqA-4s10A:
undetectable
4grqC-4s10A:
undetectable		 4grqA-4s10A:
19.31
4grqC-4s10A:
19.31
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.
5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Cyanothece sp.
ATCC 51142) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 PHE A 685
TYR A 585
GLN A 533
PHE A 668
 None
 1.46A 4grqA-5gr1A:
undetectable
4grqC-5gr1A:
undetectable		 4grqA-5gr1A:
7.50
4grqC-5gr1A:
7.50
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.
5hal UNCHARACTERIZED
PROTEIN

(Burkholderia
vietnamiensis) 		no annotation 4 TYR A  53
GLN A  56
TRP A  55
PHE A  10
 None
 1.50A 4grqA-5halA:
undetectable
4grqC-5halA:
undetectable		 4grqA-5halA:
20.83
4grqC-5halA:
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		4 TYR A 154
PRO A  48
TRP A 316
PHE A  49
 None
None
RB0  A 501 (-3.9A)
None
 1.45A 4grqA-5iaiA:
undetectable
4grqC-5iaiA:
undetectable		 4grqA-5iaiA:
12.84
4grqC-5iaiA:
12.84
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.
5noa FAMILY 88 GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		4 PHE A 224
TYR A 205
PRO A 213
TYR A 212
 None
 1.29A 4grqA-5noaA:
undetectable
4grqC-5noaA:
undetectable		 4grqA-5noaA:
12.50
4grqC-5noaA:
12.50
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.
5td8 KINETOCHORE PROTEIN
NUF2
KINETOCHORE PROTEIN
SPC24
KINETOCHORE PROTEIN
SPC25

(Saccharomyces
cerevisiae) 		PF03800
(Nuf2)
PF08286
(Spc24)
no annotation 		4 PHE D  17
TYR B 442
GLN D  18
PHE C  22
 None
 1.35A 4grqA-5td8D:
undetectable
4grqC-5td8D:
undetectable		 4grqA-5td8D:
21.83
4grqC-5td8D:
21.83
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.
5tv1 BETA-ARRESTIN-2

(Bos taurus) 		no annotation 4 PHE A 116
PRO A  37
GLN A 102
PHE A  28
 None
 1.31A 4grqA-5tv1A:
undetectable
4grqC-5tv1A:
undetectable		 4grqA-5tv1A:
14.47
4grqC-5tv1A:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqz GLUCAN-BINDING
PROTEIN C, GBPC

(Streptococcus
mutans) 		no annotation 4 TYR A 144
PRO A 470
GLN A 152
TYR A 151
 None
 1.42A 4grqA-5uqzA:
undetectable
4grqC-5uqzA:
undetectable		 4grqA-5uqzA:
23.58
4grqC-5uqzA:
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.
5xvm STEROL
3-BETA-GLUCOSYLTRANS
FERASE

(Saccharomyces
cerevisiae) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		4 PHE A1096
TYR A 878
PRO A 949
PHE A 953
 None
 1.14A 4grqA-5xvmA:
undetectable
4grqC-5xvmA:
undetectable		 4grqA-5xvmA:
17.49
4grqC-5xvmA:
17.49
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.
5zrt -

(-) 		no annotation 4 PHE A 110
GLN A 111
TYR A  28
PHE A  25
 None
 1.17A 4grqA-5zrtA:
undetectable
4grqC-5zrtA:
undetectable		 4grqA-5zrtA:
undetectable
4grqC-5zrtA:
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.
6d2k FERM, ARHGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		no annotation 4 PHE A 319
TYR A  84
PRO A 128
PHE A 140
 None
 1.30A 4grqA-6d2kA:
undetectable
4grqC-6d2kA:
undetectable		 4grqA-6d2kA:
undetectable
4grqC-6d2kA:
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.
6eua ANGIOPOIETIN-RELATED
PROTEIN 3

(Homo sapiens) 		no annotation 5 PHE A 306
TYR A 302
GLN A 286
TRP A 314
PHE A 381
 None
 1.46A 4grqA-6euaA:
undetectable
4grqC-6euaA:
undetectable		 4grqA-6euaA:
19.13
4grqC-6euaA:
19.13
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 PRO A  59
GLN A 126
TYR A 125
PHE A  83
 None
 1.36A 4grqA-6f8zA:
undetectable
4grqC-6f8zA:
undetectable		 4grqA-6f8zA:
20.83
4grqC-6f8zA:
20.83