SIMILAR PATTERNS OF AMINO ACIDS FOR 5KGP_A_GCSA407

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		4 TRP A 187
GLU A 231
ASP A 308
TRP A  48
 None
CO  A 491 ( 2.4A)
CO  A 492 ( 2.4A)
None
 0.80A 5kgpA-1a0cA:
0.1		 5kgpA-1a0cA:
21.04
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.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		4 TRP A 187
GLU A 231
ASP A 308
TRP A  48
 None
CO  A 491 ( 2.4A)
CO  A 492 (-3.3A)
None
 0.98A 5kgpA-1a0eA:
0.1		 5kgpA-1a0eA:
19.21
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.
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 ARG A 378
GLU A 429
GLY A 422
PRO A 423
 None
 1.12A 5kgpA-1bf5A:
0.0		 5kgpA-1bf5A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		4 ARG L 377
GLU L 331
GLY L 462
PRO L 463
 None
 1.13A 5kgpA-1cc1L:
0.0		 5kgpA-1cc1L:
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		4 TRP A 193
GLU A 234
ASP A 304
TRP A  48
 RNS  A1462 (-3.2A)
ZN  A 450 ( 2.4A)
MN  A 451 (-2.8A)
RNS  A1462 ( 4.1A)
 0.76A 5kgpA-1de6A:
0.0		 5kgpA-1de6A:
20.18
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.
1gcp VAV PROTO-ONCOGENE

(Mus musculus) 		PF00018
(SH3_1) 		4 TRP A 636
GLY A 611
PRO A 610
TRP A 649
 None
 0.92A 5kgpA-1gcpA:
undetectable		 5kgpA-1gcpA:
11.36
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 ARG A 607
GLU A 609
GLY A 555
ASP A 554
 None
 1.11A 5kgpA-1k1xA:
0.1		 5kgpA-1k1xA:
19.79
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.
1k1z VAV

(Mus musculus) 		PF00018
(SH3_1) 		4 TRP A  54
GLY A  29
PRO A  28
TRP A  67
 None
 1.11A 5kgpA-1k1zA:
undetectable		 5kgpA-1k1zA:
12.20
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		4 GLU A 148
PRO A 145
GLY A  13
ASP A  14
 None
 1.11A 5kgpA-1lnzA:
0.0		 5kgpA-1lnzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		4 ARG A  97
GLY A 199
PRO A 198
ASP A 200
 None
 1.08A 5kgpA-1mhsA:
undetectable		 5kgpA-1mhsA:
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.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		4 ARG A 259
GLU A  48
PRO A  29
GLY A 283
 None
None
None
MA4  A 300 ( 3.9A)
 1.08A 5kgpA-1n9bA:
undetectable		 5kgpA-1n9bA:
20.06
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 GLU A 213
PRO A 223
GLY A 257
PRO A 256
 None
 1.14A 5kgpA-1narA:
0.9		 5kgpA-1narA:
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 ARG A 251
TRP A 250
GLU A 247
ASP A 479
 None
 1.01A 5kgpA-1p22A:
undetectable		 5kgpA-1p22A:
20.05
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TRP A 474
GLU A 473
GLY A 683
PRO A 684
 None
 1.01A 5kgpA-1rw9A:
undetectable		 5kgpA-1rw9A:
16.84
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		4 ARG A 542
GLY A 548
PRO A 547
ASP A 594
 None
 1.04A 5kgpA-1wacA:
undetectable		 5kgpA-1wacA:
19.75
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.
1xbt THYMIDINE KINASE,
CYTOSOLIC

(Homo sapiens) 		PF00265
(TK) 		4 ARG A 130
GLY A  26
PRO A  27
ASP A 125
 None
 1.04A 5kgpA-1xbtA:
undetectable		 5kgpA-1xbtA:
21.84
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.
1zy2 TRANSCRIPTIONAL
REGULATOR NTRC1

(Aquifex
aeolicus) 		PF00072
(Response_reg) 		4 GLU A  31
PRO A  55
GLY A  33
ASP A  56
 None
 0.92A 5kgpA-1zy2A:
undetectable		 5kgpA-1zy2A:
21.52
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.
2c0n A197

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 GLU A 150
PRO A   8
GLY A 119
ASP A  61
 None
 1.01A 5kgpA-2c0nA:
undetectable		 5kgpA-2c0nA:
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 TRP A  83
GLU A 490
PRO A 487
GLY A 459
 None
None
None
MGD  A 801 ( 3.9A)
 0.99A 5kgpA-2e7zA:
undetectable		 5kgpA-2e7zA:
17.06
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 ARG A 256
PRO A 190
GLY A 188
ASP A 189
 None
 1.14A 5kgpA-2fpgA:
undetectable		 5kgpA-2fpgA:
20.92
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		4 TRP A  80
GLY A 233
PRO A 232
ASP A 153
 None
 1.09A 5kgpA-2hg4A:
undetectable		 5kgpA-2hg4A:
14.81
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.
2j87 THYMIDINE KINASE

(Vaccinia virus) 		PF00265
(TK) 		4 ARG A 115
GLY A  11
PRO A  12
ASP A 110
 None
 1.01A 5kgpA-2j87A:
undetectable		 5kgpA-2j87A:
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.
2na1 POLYCOMB COMPLEX
PROTEIN BMI-1,
POLYHOMEOTIC-LIKE 2

(Homo sapiens;
Mus musculus) 		PF16207
(RAWUL) 		4 ARG A 165
GLU A  48
GLY A 219
PRO A 220
 None
 1.01A 5kgpA-2na1A:
undetectable		 5kgpA-2na1A:
17.92
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		4 ARG A  81
GLU A  84
GLY A  78
PRO A  79
 None
 1.13A 5kgpA-2o5rA:
undetectable		 5kgpA-2o5rA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2orv THYMIDINE KINASE

(Homo sapiens) 		PF00265
(TK) 		4 ARG A 130
GLY A  26
PRO A  27
ASP A 125
 None
 1.03A 5kgpA-2orvA:
undetectable		 5kgpA-2orvA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 ARG A  50
GLU A 106
PRO A  66
GLY A  80
 None
 1.14A 5kgpA-2ozgA:
14.4		 5kgpA-2ozgA:
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 GLU A 545
PRO A 536
GLY A 540
ASP A 537
 None
 1.02A 5kgpA-2q1fA:
undetectable		 5kgpA-2q1fA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		4 ARG A 266
GLU A 312
GLY A 129
ASP A 125
 None
 1.11A 5kgpA-2qa1A:
undetectable		 5kgpA-2qa1A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLU A 267
PRO A  67
ASP A  69
TRP A 906
 None
 1.01A 5kgpA-2qo3A:
undetectable		 5kgpA-2qo3A:
15.60
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.
2vl7 XPD

(Sulfurisphaera
tokodaii) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		4 TRP A  11
GLU A 345
PRO A 509
GLY A  36
 None
None
None
PO4  A1541 (-4.0A)
 1.13A 5kgpA-2vl7A:
undetectable		 5kgpA-2vl7A:
21.36
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.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 4 PRO A 189
GLY A 131
PRO A 166
TRP A 127
 None
 1.11A 5kgpA-2xlaA:
undetectable		 5kgpA-2xlaA:
20.97
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.
2xu0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF05424
(Duffy_binding)
PF15447
(NTS) 		4 GLU A 322
PRO A 177
GLY A 187
ASP A 178
 None
 0.90A 5kgpA-2xu0A:
undetectable		 5kgpA-2xu0A:
20.97
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 GLU A 552
GLY A 751
PRO A 750
TRP A 763
 BTB  A1945 ( 3.8A)
None
BTB  A1945 ( 4.7A)
BTB  A1945 (-4.9A)
 1.08A 5kgpA-2yhgA:
undetectable		 5kgpA-2yhgA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		4 GLU A 322
PRO A 177
GLY A 187
ASP A 178
 None
 0.92A 5kgpA-2yk0A:
undetectable		 5kgpA-2yk0A:
18.55
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.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ARG A  86
GLU A 254
GLY A 148
PRO A 149
 FMT  A1333 (-2.9A)
None
None
None
 0.96A 5kgpA-2ymvA:
undetectable		 5kgpA-2ymvA:
18.46
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		4 TRP A 295
GLY A 219
PRO A 220
ASP A 156
 None
 0.76A 5kgpA-2zzwA:
undetectable		 5kgpA-2zzwA:
20.05
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 ARG A 124
GLU A 160
GLY A 213
ASP A 212
 None
 1.06A 5kgpA-3abbA:
undetectable		 5kgpA-3abbA:
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.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 252
GLU A 256
GLY A 226
ASP A 223
 None
 1.14A 5kgpA-3dfyA:
undetectable		 5kgpA-3dfyA:
24.87
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ARG A 158
GLY A  13
ASP A  36
TRP A  47
 None
FAD  A 500 (-3.1A)
FAD  A 500 (-2.8A)
None
 1.10A 5kgpA-3dgzA:
undetectable		 5kgpA-3dgzA:
20.98
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.
3eoo METHYLISOCITRATE
LYASE

(Burkholderia
pseudomallei) 		PF13714
(PEP_mutase) 		4 ARG A 160
GLU A 117
GLY A  63
ASP A  61
 None
 1.10A 5kgpA-3eooA:
undetectable		 5kgpA-3eooA:
21.53
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLU A  45
PRO A 332
GLY A 334
PRO A 335
 None
 1.01A 5kgpA-3eqqA:
undetectable		 5kgpA-3eqqA:
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.
3eye PTS SYSTEM
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT 1

(Escherichia
coli) 		PF03830
(PTSIIB_sorb) 		4 TRP A  24
GLY A 150
PRO A 149
ASP A 151
 None
 1.11A 5kgpA-3eyeA:
undetectable		 5kgpA-3eyeA:
20.48
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.
3ff0 PHENAZINE
BIOSYNTHESIS PROTEIN
PHZB 2

(Pseudomonas
aeruginosa) 		PF03284
(PHZA_PHZB) 		4 GLU A 114
PRO A  79
GLY A 105
ASP A  80
 None
 0.68A 5kgpA-3ff0A:
undetectable		 5kgpA-3ff0A:
21.66
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.
3fqd 5'-3'
EXORIBONUCLEASE 2
PROTEIN DIN1

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N)
PF08652
(RAI1) 		4 ARG A 218
GLU A 247
GLY A 854
TRP B 159
 None
 1.03A 5kgpA-3fqdA:
undetectable		 5kgpA-3fqdA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpg INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 GLU A  94
GLY A 120
PRO A 121
ASP A 118
 None
 1.07A 5kgpA-3hpgA:
undetectable		 5kgpA-3hpgA:
19.82
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.
3jup PHENAZINE
BIOSYNTHESIS PROTEIN
A/B

(Burkholderia
lata) 		PF03284
(PHZA_PHZB) 		4 ARG A 117
PRO A  82
GLY A 108
ASP A  83
 None
 0.68A 5kgpA-3jupA:
undetectable		 5kgpA-3jupA:
17.18
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		4 TRP A 126
GLU A 166
ASP A 240
TRP A  14
 UNL  A 337 ( 3.7A)
FE  A 334 (-2.6A)
FE  A 333 (-2.5A)
UNL  A 337 ( 3.9A)
 1.01A 5kgpA-3ktcA:
undetectable		 5kgpA-3ktcA:
19.94
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ARG A 240
TRP A  10
GLU A 244
GLY A  11
 None
 0.94A 5kgpA-3m07A:
undetectable		 5kgpA-3m07A:
19.41
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.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ARG A 295
PRO A 128
GLY A 335
ASP A 343
 None
 0.94A 5kgpA-3moiA:
undetectable		 5kgpA-3moiA:
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.
3n1q DESERT HEDGEHOG
PROTEIN

(Homo sapiens) 		no annotation 4 ARG B  69
GLY B 133
ASP B 130
TRP B 129
 None
None
CA  B 191 (-3.8A)
None
 1.11A 5kgpA-3n1qB:
undetectable		 5kgpA-3n1qB:
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.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		4 PRO A  40
GLY A 162
PRO A 163
ASP A  39
 None
 1.10A 5kgpA-3pg5A:
undetectable		 5kgpA-3pg5A:
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.
3ptk BETA-GLUCOSIDASE
OS4BGLU12

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 GLU A 417
PRO A 370
GLY A 358
PRO A 359
 None
 1.06A 5kgpA-3ptkA:
0.7		 5kgpA-3ptkA:
22.20
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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A 188
GLU A 174
ASP A 280
TRP A 278
 None
 0.93A 5kgpA-3s4dA:
undetectable		 5kgpA-3s4dA:
15.71
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 GLU A 362
PRO A 409
GLY A 353
ASP A 127
 None
 1.10A 5kgpA-3ut2A:
undetectable		 5kgpA-3ut2A:
16.21
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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix) 		PF00291
(PALP) 		4 PRO A 368
GLY A 339
PRO A 340
ASP A 369
 PLP  A 401 (-4.1A)
None
None
PLP  A 401 (-3.5A)
 1.03A 5kgpA-3vscA:
undetectable		 5kgpA-3vscA:
21.93
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		4 ARG A 170
GLU A 204
PRO A 217
GLY A 207
 None
 1.12A 5kgpA-3wh9A:
undetectable		 5kgpA-3wh9A:
19.89
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.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		4 PRO B 178
GLY B 180
PRO B 181
ASP B 167
 None
AGS  B1342 (-3.4A)
AGS  B1342 (-3.8A)
ADP  B1343 (-2.9A)
 0.98A 5kgpA-3zeuB:
undetectable		 5kgpA-3zeuB:
23.24
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 169
GLU A 166
GLY A 115
PRO A 116
 None
 0.99A 5kgpA-3zz1A:
undetectable		 5kgpA-3zz1A:
16.04
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.
4bil DNA MATURASE B

(Escherichia
virus T7) 		no annotation 4 GLU A 232
PRO A 263
GLY A  61
ASP A 262
 None
 1.11A 5kgpA-4bilA:
undetectable		 5kgpA-4bilA:
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		4 GLU A 318
PRO A 367
GLY A 309
ASP A  94
 None
None
None
HEM  A1741 ( 4.9A)
 0.98A 5kgpA-4c51A:
undetectable		 5kgpA-4c51A:
18.06
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.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 4 GLU A 106
PRO A  58
GLY A 101
ASP A 100
 None
 1.10A 5kgpA-4cd8A:
undetectable		 5kgpA-4cd8A:
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.
4cxf RNA POLYMERASE SIGMA
FACTOR CNRH

(Cupriavidus
metallidurans) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		4 ARG A  72
GLU A 158
PRO A  70
ASP A   5
 None
 1.03A 5kgpA-4cxfA:
undetectable		 5kgpA-4cxfA:
19.73
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.
4dkw LARGE TERMINASE
PROTEIN

(Salmonella
virus P22) 		PF17289
(Terminase_6C) 		4 GLU A 419
PRO A 407
GLY A 410
ASP A 408
 None
 0.97A 5kgpA-4dkwA:
undetectable		 5kgpA-4dkwA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gji L-RHAMNOSE ISOMERASE

(Pseudomonas
stutzeri) 		no annotation 4 TRP A 179
GLU A 219
ASP A 291
TRP A  57
 RNS  A1001 (-3.3A)
MN  A1003 ( 2.6A)
MN  A1004 ( 3.9A)
RNS  A1001 (-3.5A)
 1.02A 5kgpA-4gjiA:
undetectable		 5kgpA-4gjiA:
21.25
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.
4gn8 REGUCALCIN

(Mus musculus) 		PF08450
(SGL) 		4 ARG A 264
PRO A  35
GLY A  17
ASP A  33
 None
 1.12A 5kgpA-4gn8A:
undetectable		 5kgpA-4gn8A:
21.33
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 200
GLU A 197
GLY A 146
PRO A 147
 BGC  A 942 (-3.8A)
None
None
None
 1.03A 5kgpA-4iigA:
undetectable		 5kgpA-4iigA:
16.86
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.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE

(Toxoplasma
gondii) 		PF00316
(FBPase) 		4 TRP A 119
PRO A 244
GLY A 240
ASP A 245
 None
 1.10A 5kgpA-4ir8A:
undetectable		 5kgpA-4ir8A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PRO A 121
GLY A  76
PRO A  77
ASP A  74
 None
 1.13A 5kgpA-4isbA:
undetectable		 5kgpA-4isbA:
18.83
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.
4jed GLUTATHIONE
S-TRANSFERASE

(Methylobacterium
radiotolerans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ARG A 156
PRO A  87
GLY A  91
ASP A  88
 None
 1.07A 5kgpA-4jedA:
undetectable		 5kgpA-4jedA:
22.49
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		4 TRP A 265
PRO A 255
GLY A 300
PRO A 301
 None
 1.10A 5kgpA-4kg7A:
undetectable		 5kgpA-4kg7A:
22.98
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.
4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		4 ARG A 151
GLU A 154
GLY A 163
ASP A 165
 None
 1.12A 5kgpA-4nekA:
1.7		 5kgpA-4nekA:
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.
4ogc HNH ENDONUCLEASE
DOMAIN PROTEIN

(Actinomyces
naeslundii) 		PF01844
(HNH) 		4 ARG A1023
GLU A 998
PRO A1086
GLY A1084
 None
 0.80A 5kgpA-4ogcA:
undetectable		 5kgpA-4ogcA:
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.
4oo3 HYPOTHETICAL PROTEIN

(Parabacteroides
merdae) 		PF01408
(GFO_IDH_MocA)
PF16490
(Oxidoreduct_C) 		4 ARG A 226
GLY A 237
ASP A 242
TRP A 329
 None
 0.87A 5kgpA-4oo3A:
undetectable		 5kgpA-4oo3A:
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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		4 ARG A 215
GLU A 209
GLY A 145
PRO A 144
 None
 1.00A 5kgpA-4ow8A:
undetectable		 5kgpA-4ow8A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p56 PUTATIVE
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		4 GLU A 228
GLY A 147
PRO A 148
ASP A 278
 None
 1.10A 5kgpA-4p56A:
undetectable		 5kgpA-4p56A:
20.60
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 4 GLU A 200
GLY A 207
PRO A 206
ASP A 210
 None
 1.09A 5kgpA-4r29A:
undetectable		 5kgpA-4r29A:
20.78
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.
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus) 		PF13407
(Peripla_BP_4) 		4 ARG A 190
GLU A 156
GLY A 312
PRO A 313
 INS  A 401 (-2.6A)
None
None
None
 1.01A 5kgpA-4ru1A:
undetectable		 5kgpA-4ru1A:
19.29
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.
4x3f SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		4 ARG A 215
GLU A 209
GLY A 145
PRO A 144
 None
 1.07A 5kgpA-4x3fA:
undetectable		 5kgpA-4x3fA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TRP A 190
GLU A 234
ASP A 311
TRP A  51
 None
MN  A 501 (-2.5A)
MN  A 502 (-2.9A)
None
 0.93A 5kgpA-4xkmA:
1.2		 5kgpA-4xkmA:
20.81
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLU A 231
GLY A 630
PRO A 629
ASP A 673
 None
 1.07A 5kgpA-4yswA:
2.0		 5kgpA-4yswA:
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.
4zb6 PCURE2P4

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TRP A 176
PRO A  60
GLY A  16
PRO A  17
 GDS  A 300 (-4.0A)
GDS  A 300 (-4.5A)
GDS  A 300 (-3.7A)
NA  A 301 ( 4.6A)
 1.06A 5kgpA-4zb6A:
undetectable		 5kgpA-4zb6A:
21.19
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.
4zb8 PCURE2P6

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TRP A 175
PRO A  59
GLY A  15
PRO A  16
 GDS  A 300 (-4.0A)
GDS  A 300 (-4.4A)
GDS  A 300 (-3.6A)
GDS  A 300 (-4.2A)
 1.12A 5kgpA-4zb8A:
undetectable		 5kgpA-4zb8A:
19.34
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.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		4 GLU A 513
GLY A 204
PRO A 205
ASP A  65
 PEG  A 605 ( 4.1A)
None
None
None
 0.92A 5kgpA-4ze8A:
undetectable		 5kgpA-4ze8A:
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		4 GLU A 310
PRO A   0
GLY A  50
ASP A  25
 None
 1.14A 5kgpA-5b5rA:
undetectable		 5kgpA-5b5rA:
20.04
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 201
GLU A 198
GLY A 147
PRO A 148
 None
 1.01A 5kgpA-5fjjA:
undetectable		 5kgpA-5fjjA:
16.22
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 ARG A 310
GLU A 593
GLY A 359
PRO A 360
 None
 1.01A 5kgpA-5hmqA:
undetectable		 5kgpA-5hmqA:
18.73
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.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		4 ARG A 372
GLU A 427
GLY A 158
ASP A 155
 None
 1.07A 5kgpA-5iuyA:
undetectable		 5kgpA-5iuyA:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kf2 PREDICTED
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00583
(Acetyltransf_1) 		8 ARG A 192
TRP A 193
GLU A 196
PRO A 235
GLY A 251
PRO A 252
ASP A 287
TRP A 288
 None
PO4  A 405 (-3.7A)
None
None
None
None
None
None
 0.28A 5kgpA-5kf2A:
51.0		 5kgpA-5kf2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kf2 PREDICTED
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00583
(Acetyltransf_1) 		5 TRP A 193
PRO A 236
PRO A 252
ASP A 287
TRP A 288
 PO4  A 405 (-3.7A)
None
None
None
None
 1.49A 5kgpA-5kf2A:
51.0		 5kgpA-5kf2A:
100.00
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ARG A 344
GLU A 313
GLY A 310
PRO A 311
 None
 0.84A 5kgpA-5l46A:
undetectable		 5kgpA-5l46A:
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 ARG A 200
GLU A 204
PRO A 154
GLY A 152
 None
 1.14A 5kgpA-5l94A:
undetectable		 5kgpA-5l94A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mps PRE-MRNA-PROCESSING
FACTOR 17

(Saccharomyces
cerevisiae) 		PF00249
(Myb_DNA-binding) 		4 ARG o 200
PRO o 162
GLY o 182
ASP o 184
 None
 1.07A 5kgpA-5mpso:
undetectable		 5kgpA-5mpso:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 GLU A 465
GLY A 475
ASP A 474
TRP A 314
 None
 1.10A 5kgpA-5n4lA:
undetectable		 5kgpA-5n4lA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 4 TRP A 189
GLU A 233
ASP A 310
TRP A  50
 None
FE2  A 501 (-2.2A)
FE2  A 502 ( 3.9A)
None
 0.97A 5kgpA-5nhbA:
1.0		 5kgpA-5nhbA:
20.86
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.
5ui2 ORANGE
CAROTENOID-BINDING
PROTEIN

(Arthrospira
maxima) 		PF02136
(NTF2)
PF09150
(Carot_N) 		4 ARG A 115
GLU A 112
GLY A  57
PRO A  56
 None
None
SUC  A 401 (-4.2A)
SUC  A 401 (-3.8A)
 0.94A 5kgpA-5ui2A:
undetectable		 5kgpA-5ui2A:
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 4 ARG A 260
GLY A 116
ASP A 139
TRP A 150
 None
FAD  A 601 (-3.1A)
FAD  A 601 (-3.0A)
None
 1.14A 5kgpA-5w1jA:
undetectable		 5kgpA-5w1jA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TRP A  41
GLU A  37
PRO A 368
ASP A 366
 None
 1.08A 5kgpA-5x1nA:
undetectable		 5kgpA-5x1nA:
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		4 TRP A 137
GLU A 181
ASP A 257
TRP A  16
 XYL  A 402 (-3.8A)
XYL  A 402 ( 2.4A)
None
XYL  A 402 (-4.1A)
 1.07A 5kgpA-5y4jA:
0.9		 5kgpA-5y4jA:
22.00
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 4 ARG A 215
GLU A 209
GLY A 145
PRO A 144
 None
 0.98A 5kgpA-6b2qA:
undetectable		 5kgpA-6b2qA:
12.90
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 4 GLU A  33
GLY A 216
PRO A 217
ASP A 181
 None
 1.12A 5kgpA-6bq6A:
undetectable		 5kgpA-6bq6A:
14.65