SIMILAR PATTERNS OF AMINO ACIDS FOR 5KGP_B_GCSB405_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.83A 5kgpB-1a0cA:
0.3
5kgpB-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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus)
PF01261
(AP_endonuc_2)
4 TRP A 185
GLU A 229
ASP A 306
TRP A  47
None
MN  A 491 ( 2.4A)
MN  A 492 ( 2.8A)
None
1.03A 5kgpB-1a0dA:
0.1
5kgpB-1a0dA:
20.40
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.
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
0.99A 5kgpB-1a0eA:
0.2
5kgpB-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
1.09A 5kgpB-1bf5A:
0.0
5kgpB-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.
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)
0.78A 5kgpB-1de6A:
0.0
5kgpB-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
0.91A 5kgpB-1gcpA:
undetectable
5kgpB-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.
1htt HISTIDYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His)
4 ARG A 104
GLU A 102
GLY A 137
ASP A 139
None
1.13A 5kgpB-1httA:
0.2
5kgpB-1httA:
21.30
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.
1k1z VAV

(Mus musculus)
PF00018
(SH3_1)
4 TRP A  54
GLY A  29
PRO A  28
TRP A  67
None
1.10A 5kgpB-1k1zA:
undetectable
5kgpB-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
1.09A 5kgpB-1lnzA:
0.0
5kgpB-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
1.11A 5kgpB-1mhsA:
undetectable
5kgpB-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)
1.11A 5kgpB-1n9bA:
undetectable
5kgpB-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
1.11A 5kgpB-1narA:
undetectable
5kgpB-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
1.02A 5kgpB-1p22A:
undetectable
5kgpB-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.
1qnr ENDO-1,4-B-D-MANNANA
SE


(Trichoderma
reesei)
PF00150
(Cellulase)
4 ARG A 171
GLU A 205
PRO A 217
GLY A 208
MAB  A 401 (-2.7A)
MAB  A 401 (-3.9A)
None
None
1.11A 5kgpB-1qnrA:
1.1
5kgpB-1qnrA:
20.47
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.
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
1.02A 5kgpB-1rw9A:
undetectable
5kgpB-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
1.02A 5kgpB-1wacA:
undetectable
5kgpB-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 5kgpB-1xbtA:
undetectable
5kgpB-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 5kgpB-1zy2A:
undetectable
5kgpB-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
1.02A 5kgpB-2c0nA:
undetectable
5kgpB-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)
1.00A 5kgpB-2e7zA:
undetectable
5kgpB-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
1.13A 5kgpB-2fpgA:
undetectable
5kgpB-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
1.10A 5kgpB-2hg4A:
undetectable
5kgpB-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
1.00A 5kgpB-2j87A:
undetectable
5kgpB-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.
2kpt PUTATIVE SECRETED
PROTEIN


(Corynebacterium
glutamicum)
PF04536
(TPM_phosphatase)
4 GLU A 125
PRO A 100
GLY A  97
ASP A  99
None
1.05A 5kgpB-2kptA:
undetectable
5kgpB-2kptA:
17.38
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.
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
1.12A 5kgpB-2o5rA:
undetectable
5kgpB-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 5kgpB-2orvA:
undetectable
5kgpB-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
1.11A 5kgpB-2ozgA:
14.4
5kgpB-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
1.00A 5kgpB-2q1fA:
undetectable
5kgpB-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
1.09A 5kgpB-2qa1A:
undetectable
5kgpB-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
0.99A 5kgpB-2qo3A:
undetectable
5kgpB-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)
1.12A 5kgpB-2vl7A:
undetectable
5kgpB-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.
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
0.91A 5kgpB-2xu0A:
undetectable
5kgpB-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)
1.10A 5kgpB-2yhgA:
undetectable
5kgpB-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
0.93A 5kgpB-2yk0A:
undetectable
5kgpB-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
0.93A 5kgpB-2ymvA:
undetectable
5kgpB-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
0.73A 5kgpB-2zzwA:
undetectable
5kgpB-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
1.07A 5kgpB-3abbA:
undetectable
5kgpB-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.
3agr NUCLEOSIDE
TRIPHOSPHATE
HYDROLASE


(Neospora
caninum)
PF01150
(GDA1_CD39)
4 GLU A 347
PRO A 350
GLY A 352
ASP A 351
None
1.13A 5kgpB-3agrA:
undetectable
5kgpB-3agrA:
17.88
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.
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
1.08A 5kgpB-3dgzA:
undetectable
5kgpB-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
1.14A 5kgpB-3eooA:
undetectable
5kgpB-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 5kgpB-3eqqA:
undetectable
5kgpB-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.
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
0.67A 5kgpB-3ff0A:
undetectable
5kgpB-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
1.02A 5kgpB-3fqdA:
undetectable
5kgpB-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 5kgpB-3hpgA:
undetectable
5kgpB-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
0.62A 5kgpB-3jupA:
undetectable
5kgpB-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)
1.03A 5kgpB-3ktcA:
undetectable
5kgpB-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 5kgpB-3m07A:
0.7
5kgpB-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
1.00A 5kgpB-3moiA:
undetectable
5kgpB-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.
3pg5 UNCHARACTERIZED
PROTEIN


(Corynebacterium
diphtheriae)
PF13614
(AAA_31)
4 PRO A  40
GLY A 162
PRO A 163
ASP A  39
None
1.09A 5kgpB-3pg5A:
undetectable
5kgpB-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
1.02A 5kgpB-3ptkA:
0.8
5kgpB-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
0.97A 5kgpB-3s4dA:
undetectable
5kgpB-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.
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)
1.02A 5kgpB-3vscA:
undetectable
5kgpB-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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus)
PF00150
(Cellulase)
4 ARG A 203
GLU A 237
PRO A 250
GLY A 240
None
1.13A 5kgpB-3wflA:
undetectable
5kgpB-3wflA:
18.99
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.
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
1.09A 5kgpB-3wh9A:
0.7
5kgpB-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)
0.96A 5kgpB-3zeuB:
undetectable
5kgpB-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 5kgpB-3zz1A:
undetectable
5kgpB-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
1.10A 5kgpB-4bilA:
undetectable
5kgpB-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)
1.00A 5kgpB-4c51A:
undetectable
5kgpB-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
1.08A 5kgpB-4cd8A:
undetectable
5kgpB-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
1.02A 5kgpB-4cxfA:
undetectable
5kgpB-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.
4dfs GLYCOSIDE HYDROLASE,
FAMILY 16


(Thermotoga
petrophila)
PF00722
(Glyco_hydro_16)
4 TRP A 112
PRO A 236
GLY A 234
PRO A 233
None
1.04A 5kgpB-4dfsA:
undetectable
5kgpB-4dfsA:
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.
4dkw LARGE TERMINASE
PROTEIN


(Salmonella
virus P22)
PF17289
(Terminase_6C)
4 GLU A 419
PRO A 407
GLY A 410
ASP A 408
None
0.96A 5kgpB-4dkwA:
undetectable
5kgpB-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)
1.04A 5kgpB-4gjiA:
undetectable
5kgpB-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 5kgpB-4gn8A:
undetectable
5kgpB-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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
4 ARG A  35
GLU A 514
GLY A 155
PRO A 156
None
1.02A 5kgpB-4ha6A:
undetectable
5kgpB-4ha6A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.02A 5kgpB-4iigA:
undetectable
5kgpB-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
1.13A 5kgpB-4ir8A:
undetectable
5kgpB-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.
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
1.05A 5kgpB-4jedA:
undetectable
5kgpB-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 5kgpB-4kg7A:
undetectable
5kgpB-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.
4n01 PERIPLASMIC BINDING
PROTEIN


(Veillonella
parvula)
PF01497
(Peripla_BP_2)
4 TRP A 150
GLU A  45
PRO A 129
GLY A 127
None
0.99A 5kgpB-4n01A:
undetectable
5kgpB-4n01A:
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.
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
1.09A 5kgpB-4nekA:
undetectable
5kgpB-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
0.76A 5kgpB-4ogcA:
undetectable
5kgpB-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
0.90A 5kgpB-4oo3A:
undetectable
5kgpB-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
0.97A 5kgpB-4ow8A:
undetectable
5kgpB-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
1.11A 5kgpB-4p56A:
undetectable
5kgpB-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.
4q73 PROLINE
DEHYDROGENASE


(Bradyrhizobium
diazoefficiens)
PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg)
4 ARG A 356
GLU A 518
PRO A 362
GLY A 360
GOL  A2007 (-3.7A)
GOL  A2007 ( 3.4A)
None
None
1.12A 5kgpB-4q73A:
undetectable
5kgpB-4q73A:
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.
4r29 UNCHARACTERIZED
PROTEIN


(Escherichia
coli)
no annotation 4 GLU A 200
GLY A 207
PRO A 206
ASP A 210
None
1.09A 5kgpB-4r29A:
undetectable
5kgpB-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
1.03A 5kgpB-4ru1A:
undetectable
5kgpB-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
1.04A 5kgpB-4x3fA:
undetectable
5kgpB-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
0.95A 5kgpB-4xkmA:
0.6
5kgpB-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
1.06A 5kgpB-4yswA:
undetectable
5kgpB-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 5kgpB-4zb6A:
undetectable
5kgpB-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 5kgpB-4zb8A:
undetectable
5kgpB-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 5kgpB-4ze8A:
undetectable
5kgpB-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.
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 5kgpB-5fjjA:
undetectable
5kgpB-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
1.03A 5kgpB-5hmqA:
undetectable
5kgpB-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
1.12A 5kgpB-5iuyA:
undetectable
5kgpB-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
0.30A 5kgpB-5kf2A:
50.7
5kgpB-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 5kgpB-5kf2A:
50.7
5kgpB-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
0.86A 5kgpB-5l46A:
undetectable
5kgpB-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.
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
1.05A 5kgpB-5mpso:
undetectable
5kgpB-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 5kgpB-5n4lA:
undetectable
5kgpB-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
0.99A 5kgpB-5nhbA:
undetectable
5kgpB-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.
5o0j ADP-DEPENDENT
GLUCOKINASE


(Pyrococcus
horikoshii)
no annotation 4 ARG A 215
TRP A 218
GLU A 217
PRO A 155
None
1.14A 5kgpB-5o0jA:
undetectable
5kgpB-5o0jA:
16.32
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.
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 5kgpB-5ui2A:
undetectable
5kgpB-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
1.12A 5kgpB-5w1jA:
undetectable
5kgpB-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
1.11A 5kgpB-5x1nA:
undetectable
5kgpB-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)
1.09A 5kgpB-5y4jA:
undetectable
5kgpB-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
0.94A 5kgpB-6b2qA:
undetectable
5kgpB-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
1.11A 5kgpB-6bq6A:
1.5
5kgpB-6bq6A:
14.65