SIMILAR PATTERNS OF AMINO ACIDS FOR 5KIR_B_RCXB601_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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ALA A 152
VAL A  68
GLY A  70
ALA A  69
LEU A  90
 1BH  A 300 ( 3.7A)
None
None
None
None
 1.05A 5kirB-1bh6A:
0.0		 5kirB-1bh6A:
17.98
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.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ALA A 152
VAL A  68
GLY A  70
ALA A  69
LEU A  90
 XE  A 281 ( 3.9A)
None
None
None
None
 1.04A 5kirB-1c3lA:
0.0		 5kirB-1c3lA:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 HIS A  90
GLN A 192
VAL A 349
SER A 353
TYR A 355
TRP A 387
GLY A 526
ALA A 527
LEU A 531
 None
None
SCL  A 700 ( 4.6A)
None
SCL  A 700 (-4.3A)
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.34A 5kirB-1ebvA:
58.7		 5kirB-1ebvA:
63.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gwc GLUTATHIONE
S-TRANSFERASE TSI-1

(Aegilops
tauschii) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 VAL A 168
TRP A 195
ALA A 204
VAL A 163
ALA A 164
 None
 1.08A 5kirB-1gwcA:
0.0		 5kirB-1gwcA:
17.67
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.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 HIS A 107
VAL A  11
ALA A  33
GLY A  89
ALA A  90
 None
 1.11A 5kirB-1gynA:
0.0		 5kirB-1gynA:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.02A 5kirB-1h17A:
0.0		 5kirB-1h17A:
20.41
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A 402
SER A 393
ALA A 160
GLY A 276
ALA A 277
 None
 0.81A 5kirB-1j3nA:
0.0		 5kirB-1j3nA:
21.16
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.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 VAL A 152
ALA A 126
VAL A 363
GLY A 361
LEU A 356
 None
None
None
None
HEM  A 410 ( 4.4A)
 1.12A 5kirB-1jioA:
0.0		 5kirB-1jioA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLN A  71
ALA A  67
GLY A 106
ALA A 195
SER A 194
 None
 1.09A 5kirB-1jmyA:
0.0		 5kirB-1jmyA:
22.38
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 VAL A 227
TYR A 537
ALA A 332
SER A 334
LEU A 335
 None
 0.98A 5kirB-1jy1A:
undetectable		 5kirB-1jy1A:
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.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 VAL A 241
TYR A 305
ALA A 328
SER A 237
LEU A 232
 None
 1.08A 5kirB-1krhA:
undetectable		 5kirB-1krhA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 265
ALA A 243
VAL A 159
GLY A 128
ALA A 131
 None
NDP  A1325 (-3.5A)
NDP  A1325 (-4.0A)
None
None
 1.05A 5kirB-1o8cA:
undetectable		 5kirB-1o8cA:
21.47
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.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		5 VAL A 153
SER A 155
GLY A  92
ALA A  91
LEU A 200
 None
None
ADN  A1237 (-3.4A)
None
None
 1.09A 5kirB-1odiA:
undetectable		 5kirB-1odiA:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 VAL A 642
ALA A 638
VAL A 625
GLY A 623
ALA A 621
 None
 0.93A 5kirB-1ofeA:
undetectable		 5kirB-1ofeA:
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		5 GLN A 126
VAL A 421
GLY A 256
ALA A 259
LEU A 308
 None
 1.10A 5kirB-1phzA:
undetectable		 5kirB-1phzA:
22.65
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.
1prt PERTUSSIS TOXIN
(SUBUNIT S1)

(Bordetella
pertussis) 		PF02917
(Pertussis_S1) 		5 VAL A  32
ALA A  25
GLY A  99
ALA A 100
SER A 103
 None
 1.11A 5kirB-1prtA:
undetectable		 5kirB-1prtA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 VAL A  87
ALA A 118
GLY A  44
ALA A  45
LEU A  77
 None
 1.07A 5kirB-1rk2A:
undetectable		 5kirB-1rk2A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 VAL A  46
ALA A  38
VAL A  14
GLY A  17
LEU A 219
 VAL  A  46 ( 0.6A)
ALA  A  38 ( 0.0A)
VAL  A  14 ( 0.6A)
GLY  A  17 ( 0.0A)
LEU  A 219 ( 0.6A)
 0.91A 5kirB-1rrvA:
undetectable		 5kirB-1rrvA:
20.54
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 VAL A 332
VAL A 173
GLY A 175
ALA A 174
LEU A 369
 None
None
OMN  A 601 (-3.6A)
None
OMN  A 601 (-3.7A)
 1.08A 5kirB-1sezA:
undetectable		 5kirB-1sezA:
20.38
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  31
ALA A  59
GLY A 241
ALA A  22
LEU A 273
 None
 0.98A 5kirB-1uaaA:
undetectable		 5kirB-1uaaA:
20.50
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  53
GLY A 170
ALA A 171
SER A 167
LEU A 275
 FAD  A4750 ( 3.7A)
None
None
None
None
 1.11A 5kirB-1zy8A:
undetectable		 5kirB-1zy8A:
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 174
TRP A 223
ALA A  71
ALA A  87
LEU A  88
 None
 1.04A 5kirB-2cb1A:
undetectable		 5kirB-2cb1A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0i DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A  94
ALA A 100
VAL A 296
GLY A 297
ALA A 300
 None
 1.03A 5kirB-2d0iA:
0.0		 5kirB-2d0iA:
19.49
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 SER A  37
TRP A 282
ALA A  44
GLY A 280
ALA A  32
 GOL  A 507 (-2.7A)
None
None
None
None
 1.09A 5kirB-2de2A:
0.0		 5kirB-2de2A:
21.06
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		6 HIS A 479
VAL A 162
TYR A 482
VAL A 189
GLY A 190
ALA A 183
 None
 1.45A 5kirB-2f2aA:
undetectable		 5kirB-2f2aA:
23.71
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.
2fgy CARBOXYSOME SHELL
POLYPEPTIDE

(Halothiobacillus
neapolitanus) 		PF08936
(CsoSCA) 		5 HIS A 121
VAL A  96
ALA A 100
SER A 103
LEU A 104
 ZN  A 621 (-3.1A)
None
None
None
None
 1.07A 5kirB-2fgyA:
undetectable		 5kirB-2fgyA:
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ALA A 165
VAL A  75
GLY A  77
ALA A  76
LEU A  98
 PMS  A 601 ( 3.8A)
None
None
None
None
 0.92A 5kirB-2gkoA:
undetectable		 5kirB-2gkoA:
20.11
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.
2izp PUTATIVE MEMBRANE
ANTIGEN

(Burkholderia
pseudomallei) 		PF06511
(IpaD) 		5 VAL A1292
GLY A1295
ALA A1296
SER A1298
LEU A1300
 None
 1.11A 5kirB-2izpA:
undetectable		 5kirB-2izpA:
19.15
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.
2k3n TUSP1

(Nephila
antipodiana) 		PF12042
(RP1-2) 		5 SER A 127
ALA A  39
ALA A  60
SER A  63
LEU A  64
 None
 0.84A 5kirB-2k3nA:
undetectable		 5kirB-2k3nA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k4k GENERAL STRESS
PROTEIN 13

(Bacillus
subtilis) 		PF00575
(S1) 		5 ALA A  78
VAL A  35
GLY A  22
ALA A  23
LEU A  18
 None
 0.92A 5kirB-2k4kA:
undetectable		 5kirB-2k4kA:
14.40
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.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		5 ALA A 502
VAL A 512
GLY A 514
ALA A  56
SER A  57
 None
 1.09A 5kirB-2nvoA:
undetectable		 5kirB-2nvoA:
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		5 SER A 360
ALA A 333
VAL A 338
GLY A 313
SER A 316
 None
 0.99A 5kirB-2o04A:
undetectable		 5kirB-2o04A:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  49
GLY A 166
ALA A 167
SER A 163
LEU A 269
 FAD  A 480 ( 3.8A)
None
None
None
None
 1.12A 5kirB-2qaeA:
undetectable		 5kirB-2qaeA:
20.69
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.
2ru4 ARMADILLO REPEAT
PROTEIN, C-TERMINAL
FRAGMENT, MAII
ARMADILLO REPEAT
PROTEIN, N-TERMINAL
FRAGMENT, YIIM2

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 SER A 110
VAL B 123
GLY B 127
ALA B 128
LEU B 132
 None
 1.00A 5kirB-2ru4A:
undetectable		 5kirB-2ru4A:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 SER A 421
TRP A 579
GLY A 412
ALA A 413
LEU A 409
 None
 0.83A 5kirB-2wskA:
undetectable		 5kirB-2wskA:
21.78
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		5 ALA A 271
VAL A 375
GLY A 402
ALA A 403
LEU A 484
 None
 1.04A 5kirB-2yeqA:
undetectable		 5kirB-2yeqA:
21.76
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 ALA A 236
VAL A 214
GLY A 211
ALA A 210
LEU A 206
 None
 0.88A 5kirB-2yr5A:
undetectable		 5kirB-2yr5A:
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 VAL A  24
SER A 117
ALA A 125
VAL A 157
LEU A 191
 None
 1.12A 5kirB-2z0jA:
undetectable		 5kirB-2z0jA:
17.29
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.
3aw8 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermus
thermophilus) 		PF02222
(ATP-grasp) 		5 VAL A 181
ALA A 301
GLY A 217
ALA A 218
LEU A 222
 None
 1.07A 5kirB-3aw8A:
undetectable		 5kirB-3aw8A:
20.95
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.
3dty OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 SER A 261
TRP A 372
VAL A 206
GLY A 204
SER A 200
 None
 1.11A 5kirB-3dtyA:
undetectable		 5kirB-3dtyA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dyj TALIN-1

(Mus musculus) 		no annotation 6 ALA A2023
VAL A2062
GLY A2065
ALA A2066
SER A2068
LEU A2069
 None
 1.33A 5kirB-3dyjA:
undetectable		 5kirB-3dyjA:
22.71
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 ALA A 161
VAL A  12
GLY A  14
ALA A 167
SER A 168
 None
None
FAD  A 600 (-3.2A)
None
FAD  A 600 (-4.2A)
 1.09A 5kirB-3e1tA:
undetectable		 5kirB-3e1tA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 VAL A 532
SER A 524
GLY A 516
ALA A 519
SER A 482
LEU A 505
 None
 1.46A 5kirB-3e9yA:
0.0		 5kirB-3e9yA:
20.28
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.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 GLN A 298
VAL A 152
GLY A  88
ALA A  86
LEU A  72
 None
 1.11A 5kirB-3egcA:
undetectable		 5kirB-3egcA:
18.33
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.
3fyq CG6831-PA (TALIN)

(Drosophila
melanogaster) 		no annotation 5 ALA A2032
VAL A2071
ALA A2075
SER A2077
LEU A2078
 None
 1.10A 5kirB-3fyqA:
undetectable		 5kirB-3fyqA:
13.18
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.93A 5kirB-3gdnA:
undetectable		 5kirB-3gdnA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ALA A 238
VAL A 248
GLY A 250
ALA A 251
LEU A 324
 None
 1.08A 5kirB-3h2zA:
undetectable		 5kirB-3h2zA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.10A 5kirB-3ikfA:
undetectable		 5kirB-3ikfA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 HIS A  96
TYR A 113
GLY A 266
ALA A 265
LEU A 261
 None
 1.05A 5kirB-3iwaA:
undetectable		 5kirB-3iwaA:
20.73
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.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A  49
SER A  51
GLY A  65
ALA A  66
LEU A  70
 None
 0.81A 5kirB-3khnA:
undetectable		 5kirB-3khnA:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 VAL A  37
ALA A 204
VAL A 109
GLY A 111
ALA A 110
 None
 1.10A 5kirB-3lpdA:
undetectable		 5kirB-3lpdA:
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 265
ALA A 243
VAL A 159
GLY A 128
ALA A 131
 None
NAP  A 330 (-3.5A)
NAP  A 330 (-3.8A)
None
None
 1.07A 5kirB-3nx4A:
undetectable		 5kirB-3nx4A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		6 VAL A 518
ALA A 627
GLY A 543
ALA A 546
SER A 545
LEU A 549
 None
 1.36A 5kirB-3o4zA:
undetectable		 5kirB-3o4zA:
20.35
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.
3p3q MMOQ

(Methylococcus
capsulatus) 		PF08668
(HDOD) 		5 ALA A  75
VAL A 101
ALA A 105
SER A 107
LEU A 108
 None
 1.10A 5kirB-3p3qA:
undetectable		 5kirB-3p3qA:
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.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		5 HIS A 102
VAL A  11
ALA A  33
GLY A  84
ALA A  85
 None
FMT  A 356 (-4.2A)
None
None
None
 1.10A 5kirB-3qm3A:
undetectable		 5kirB-3qm3A:
20.21
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
 None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
 0.97A 5kirB-3redA:
undetectable		 5kirB-3redA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		6 GLN A 128
VAL A  35
ALA A 124
GLY A  21
ALA A  16
LEU A  48
 None
 1.34A 5kirB-3toxA:
undetectable		 5kirB-3toxA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 SER A 145
ALA A 246
GLY A 252
ALA A 253
LEU A 215
 NAP  A 601 (-3.3A)
None
None
None
None
 1.06A 5kirB-3toxA:
undetectable		 5kirB-3toxA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujp MN TRANSPORTER
SUBUNIT

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		5 VAL A 128
SER A 130
ALA A 172
VAL A  57
ALA A 104
 None
 1.12A 5kirB-3ujpA:
undetectable		 5kirB-3ujpA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  49
GLY A 167
ALA A 168
SER A 164
LEU A 270
 FAD  A 500 ( 3.8A)
None
None
None
None
 1.05A 5kirB-3urhA:
undetectable		 5kirB-3urhA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 379
SER A  64
ALA A  67
GLY A 374
ALA A 375
 LLP  A  61 (-4.3A)
None
None
None
None
 1.07A 5kirB-3vabA:
undetectable		 5kirB-3vabA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 VAL A  28
VAL A 112
GLY A 110
ALA A 109
LEU A  90
 None
 1.12A 5kirB-4czpA:
undetectable		 5kirB-4czpA:
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 VAL A 147
ALA A 284
GLY A 191
ALA A 192
LEU A 139
 None
 0.95A 5kirB-4dwqA:
undetectable		 5kirB-4dwqA:
21.08
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.
4g3n DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF03989
(DNA_gyraseA_C) 		5 TYR A 740
ALA A 794
VAL A 725
GLY A 764
ALA A 765
 None
 1.07A 5kirB-4g3nA:
undetectable		 5kirB-4g3nA:
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 VAL B 122
ALA B 284
VAL B 187
GLY B 189
ALA B 188
 None
 1.06A 5kirB-4i0wB:
undetectable		 5kirB-4i0wB:
23.15
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.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL E 499
SER E 515
ALA E 512
GLY E 502
LEU E 467
 None
 1.08A 5kirB-4iw4E:
undetectable		 5kirB-4iw4E:
19.92
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.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		5 VAL A 243
ALA A   5
VAL A 233
GLY A 231
ALA A 230
 None
 1.11A 5kirB-4iwsA:
undetectable		 5kirB-4iwsA:
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 VAL A  79
GLY A  81
ALA A  83
SER A  85
LEU A  86
 None
 0.93A 5kirB-4j9uA:
0.0		 5kirB-4j9uA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcd MAJOR CAPSID PROTEIN
VP1

(Human
polyomavirus 2) 		PF00718
(Polyoma_coat) 		5 ALA A 255
VAL A 111
GLY A 113
SER A 116
LEU A 117
 None
 1.08A 5kirB-4jcdA:
undetectable		 5kirB-4jcdA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3j HEPATOCYTE GROWTH
FACTOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 687
ALA A 659
GLY A 675
SER A 522
LEU A 530
 None
 0.90A 5kirB-4k3jA:
undetectable		 5kirB-4k3jA:
18.60
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.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		5 GLN A 227
ALA A 190
VAL A 196
ALA A 195
SER A 245
 None
 1.10A 5kirB-4m0vA:
undetectable		 5kirB-4m0vA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 VAL A 153
SER A 155
GLY A  92
ALA A  91
LEU A 200
 None
 1.04A 5kirB-4m3nA:
undetectable		 5kirB-4m3nA:
18.35
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.
4nng 30S RIBOSOMAL
PROTEIN S1

(Mycobacterium
tuberculosis) 		PF00575
(S1) 		5 ALA A 365
VAL A 321
GLY A 308
ALA A 309
LEU A 304
 None
 1.10A 5kirB-4nngA:
undetectable		 5kirB-4nngA:
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.
4owt INTEGRATOR COMPLEX
SUBUNIT 3

(Homo sapiens) 		PF10189
(Ints3) 		5 VAL A 149
ALA A 112
VAL A 157
GLY A 159
ALA A 160
 None
 1.09A 5kirB-4owtA:
1.3		 5kirB-4owtA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 ALA A 436
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 1.43A 5kirB-4ph9A:
63.0		 5kirB-4ph9A:
87.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 HIS A  90
GLN A 193
VAL A 350
SER A 354
TYR A 356
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 None
None
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.32A 5kirB-4ph9A:
63.0		 5kirB-4ph9A:
87.84
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.
4pot VP1

(Human
polyomavirus 9) 		PF00718
(Polyoma_coat) 		5 ALA A 267
VAL A 122
GLY A 124
SER A 127
LEU A 128
 None
EDO  A 403 (-4.4A)
None
None
None
 1.12A 5kirB-4potA:
undetectable		 5kirB-4potA:
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		5 GLN A 176
VAL A 169
GLY A 229
ALA A 232
LEU A 154
 None
 0.98A 5kirB-4r86A:
undetectable		 5kirB-4r86A:
20.73
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 GLN A 254
GLY A 356
ALA A 357
SER A 360
LEU A 361
 None
 0.90A 5kirB-4rt6A:
undetectable		 5kirB-4rt6A:
20.46
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.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		5 HIS Q 481
ALA Q  71
GLY Q 477
ALA Q 478
LEU Q 290
 None
 1.12A 5kirB-4upeQ:
0.0		 5kirB-4upeQ:
21.05
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.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		5 VAL A 309
ALA A  28
VAL A  41
GLY A  74
ALA A  42
 NA  A1340 (-3.7A)
None
None
None
None
 0.94A 5kirB-4us5A:
undetectable		 5kirB-4us5A:
18.64
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.
4xz7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
suis) 		PF01841
(Transglut_core) 		5 VAL A 303
SER A 306
ALA A 312
VAL A 294
ALA A 300
 None
 1.12A 5kirB-4xz7A:
undetectable		 5kirB-4xz7A:
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.
4zqb NADP-DEPENDENT
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF02826
(2-Hacid_dh_C) 		5 VAL A 176
ALA A 180
GLY A 149
ALA A 150
LEU A 154
 None
 0.86A 5kirB-4zqbA:
undetectable		 5kirB-4zqbA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 VAL A 327
ALA A 331
GLY A 308
ALA A 309
LEU A 313
 None
 1.12A 5kirB-5a4jA:
undetectable		 5kirB-5a4jA:
23.31
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 VAL A 425
ALA A 513
GLY A 535
ALA A 742
LEU A 743
 None
 0.95A 5kirB-5dotA:
undetectable		 5kirB-5dotA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		5 SER A 149
VAL A 199
ALA A 203
SER A 206
LEU A 186
 None
 1.03A 5kirB-5ejyA:
undetectable		 5kirB-5ejyA:
21.96
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.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ALA A 158
VAL A  72
GLY A  74
ALA A  73
LEU A  91
 None
None
5VV  A   1 ( 4.8A)
None
None
 0.96A 5kirB-5fbzA:
undetectable		 5kirB-5fbzA:
21.59
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		5 ALA A 167
VAL A  76
GLY A  78
ALA A  77
LEU A 100
 None
 0.99A 5kirB-5ffnA:
undetectable		 5kirB-5ffnA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		5 VAL A  31
ALA A 167
VAL A  76
GLY A  78
ALA A  77
 None
 1.06A 5kirB-5ffnA:
undetectable		 5kirB-5ffnA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 HIS A 923
GLN A 199
GLY A 121
ALA A 117
LEU A 107
 None
 0.97A 5kirB-5ijlA:
undetectable		 5kirB-5ijlA:
18.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 HIS A  90
GLN A 192
VAL A 349
SER A 353
TYR A 355
TRP A 387
ALA A 516
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
 None
None
ID8  A 601 (-3.9A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.53A 5kirB-5ikrA:
63.8		 5kirB-5ikrA:
99.82
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 GLN A 105
VAL A  62
ALA A 104
ALA A 123
LEU A 191
 None
 1.06A 5kirB-5ix8A:
undetectable		 5kirB-5ix8A:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF02669
(KdpC)
PF03814
(KdpA) 		5 GLN C 173
VAL C 118
VAL A 303
GLY A 305
LEU A 310
 None
 0.99A 5kirB-5mrwC:
undetectable		 5kirB-5mrwC:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wml -

(-) 		no annotation 5 ALA A 350
GLY A 167
ALA A 168
SER A 171
LEU A 172
 None
PMP  A 501 (-3.4A)
PMP  A 501 (-3.6A)
None
None
 0.95A 5kirB-5wmlA:
undetectable		 5kirB-5wmlA:
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 ALA A 565
VAL A 540
GLY A 538
ALA A 537
LEU A 586
 None
 1.11A 5kirB-5y09A:
undetectable		 5kirB-5y09A:
21.05
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 5 VAL A 181
ALA A 343
VAL A 248
GLY A 250
ALA A 249
 None
 1.07A 5kirB-5yl7A:
undetectable		 5kirB-5yl7A:
7.86
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 VAL A 160
ALA A 520
GLY A 559
ALA A 560
SER A 156
 None
GOL  A 701 (-3.4A)
None
None
None
 0.97A 5kirB-5zl9A:
undetectable		 5kirB-5zl9A:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 186
ALA A  99
VAL A 239
ALA A 243
LEU A 247
 None
None
None
None
CLR  A1202 ( 4.3A)
 1.05A 5kirB-6aqfA:
undetectable		 5kirB-6aqfA:
10.30
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 VAL A2782
ALA A2745
GLY A2777
ALA A2778
LEU A2767
 None
 1.06A 5kirB-6ez8A:
undetectable		 5kirB-6ez8A:
7.45
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.
6fpd PROTEIN AB21

(Agaricus
bisporus) 		no annotation 5 SER A  26
ALA A  31
GLY A 133
ALA A 134
LEU A 138
 None
 0.78A 5kirB-6fpdA:
undetectable		 5kirB-6fpdA:
11.43