SIMILAR PATTERNS OF AMINO ACIDS FOR 2XKW_B_P1BB1475_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.
1cpc C-PHYCOCYANIN (ALPHA
SUBUNIT)
C-PHYCOCYANIN (BETA
SUBUNIT)

(Microchaete
diplosiphon) 		PF00502
(Phycobilisome) 		5 ILE B  51
PHE B 166
ALA B 101
LEU A  19
ILE B  44
 None
 1.29A 2xkwB-1cpcB:
undetectable		 2xkwB-1cpcB:
23.21
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.
1dbr HYPOXANTHINE GUANINE
XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		PF00156
(Pribosyltran) 		5 ILE A  77
PHE A 158
SER A 169
LEU A  72
ILE A  75
 None
 1.08A 2xkwB-1dbrA:
undetectable		 2xkwB-1dbrA:
23.41
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.
1dm1 MYOGLOBIN

(Aplysia
limacina) 		PF00042
(Globin) 		5 HIS A  95
SER A  39
ALA A  40
ILE A  67
MET A 111
 HEM  A 148 (-3.3A)
HEM  A 148 (-4.0A)
None
HEM  A 148 (-4.2A)
None
 1.10A 2xkwB-1dm1A:
undetectable		 2xkwB-1dm1A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 ILE A 303
PHE A 290
ALA A 339
LEU A 224
ILE A 301
 None
 1.28A 2xkwB-1e32A:
undetectable		 2xkwB-1e32A:
21.98
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 132
GLU A 108
HIS A 115
ALA A  91
LEU A  98
 None
 1.34A 2xkwB-1e5fA:
0.0		 2xkwB-1e5fA:
21.69
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.
1f99 R-PHYCOCYANIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 ILE B  51
PHE B 164
ALA B  99
LEU A  19
ILE B  44
 None
 1.31A 2xkwB-1f99B:
undetectable		 2xkwB-1f99B:
23.38
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.
1g71 DNA PRIMASE

(Pyrococcus
furiosus) 		PF01896
(DNA_primase_S) 		5 ILE A 174
SER A 146
ALA A 305
LEU A 291
ILE A 152
 None
 1.17A 2xkwB-1g71A:
1.1		 2xkwB-1g71A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 GLU A 209
HIS A 199
ALA A  61
LEU A 133
ILE A  91
 None
 1.34A 2xkwB-1ir6A:
0.0		 2xkwB-1ir6A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		5 ILE A 216
GLU A 229
ALA A 178
LEU A 173
ILE A 263
 None
 1.16A 2xkwB-1mqsA:
0.0		 2xkwB-1mqsA:
19.63
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 PHE A  39
HIS A  42
ALA A  48
LEU A   7
ILE A 144
 None
 1.27A 2xkwB-1ocmA:
undetectable		 2xkwB-1ocmA:
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 345
CYH A 494
ALA A 556
LEU A 543
ILE A 536
 None
 1.24A 2xkwB-1qgdA:
0.0		 2xkwB-1qgdA:
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 ILE A 167
GLU A 241
SER A 266
ALA A 265
ILE A 170
 None
 1.20A 2xkwB-1v5bA:
undetectable		 2xkwB-1v5bA:
22.91
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.
1yvd RAS-RELATED PROTEIN
RAB-22A

(Mus musculus) 		PF00071
(Ras) 		5 ILE A  87
GLU A 130
PHE A 144
ALA A  80
LEU A  10
 None
 1.00A 2xkwB-1yvdA:
undetectable		 2xkwB-1yvdA:
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.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		5 ILE B  51
PHE B 164
ALA B  99
LEU A  19
ILE B  44
 None
 1.32A 2xkwB-2bv8B:
undetectable		 2xkwB-2bv8B:
20.29
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.
2cda GLUCOSE
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 ILE A 162
SER A 280
ALA A 256
LEU A 261
ILE A 251
 None
None
NAP  A1367 (-3.3A)
None
None
 1.26A 2xkwB-2cdaA:
undetectable		 2xkwB-2cdaA:
22.63
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.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 ILE A 125
PHE A   6
ALA A 205
LEU A 208
ILE A 180
 None
 1.09A 2xkwB-2csuA:
undetectable		 2xkwB-2csuA:
21.98
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE X 121
PHE X 149
LEU X  90
ILE X 146
MET X 118
 None
 1.26A 2xkwB-2dq7X:
undetectable		 2xkwB-2dq7X:
22.87
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE X 121
PHE X 149
SER X  89
ILE X 146
MET X 118
 None
None
STU  X 902 ( 4.0A)
None
None
 1.13A 2xkwB-2dq7X:
undetectable		 2xkwB-2dq7X:
22.87
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.
2drq XYLANASE Y

(Bacillus
halodurans) 		PF01270
(Glyco_hydro_8) 		5 ILE A 291
SER A 226
ALA A 223
LEU A 200
ILE A 271
 None
 1.27A 2xkwB-2drqA:
undetectable		 2xkwB-2drqA:
18.84
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.
2hqy CONSERVED
HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		PF09924
(DUF2156) 		5 PHE A  54
SER A  36
LEU A 204
ILE A  15
MET A 224
 None
 1.32A 2xkwB-2hqyA:
undetectable		 2xkwB-2hqyA:
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ILE A  78
PHE A  30
ALA A 176
LEU A 111
ILE A  90
 None
 1.03A 2xkwB-2okxA:
undetectable		 2xkwB-2okxA:
13.63
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.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 211
GLU A 213
HIS A 315
SER A 326
ALA A 329
 None
MG  A 402 (-3.3A)
None
None
None
 1.19A 2xkwB-2ox4A:
undetectable		 2xkwB-2ox4A:
21.32
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.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 211
GLU A 213
SER A 326
ALA A 329
LEU A 124
 None
MG  A 402 (-3.3A)
None
None
None
 1.26A 2xkwB-2ox4A:
undetectable		 2xkwB-2ox4A:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 241
GLU A 251
SER A 280
LEU A 321
MET A 355
 735  A 469 (-4.7A)
None
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
 0.59A 2xkwB-2p54A:
34.0		 2xkwB-2p54A:
61.94
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		5 ILE A 165
PHE A  67
SER A  26
ALA A  25
ILE A 245
 None
 1.32A 2xkwB-2pblA:
undetectable		 2xkwB-2pblA:
23.40
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		5 ILE A 272
PHE A  48
SER A  17
LEU A 262
ILE A 268
 None
 1.29A 2xkwB-2qvwA:
undetectable		 2xkwB-2qvwA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r0h CGL3 LECTIN

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		5 ILE A 114
PHE A 145
SER A 134
LEU A  50
ILE A 101
 None
 1.26A 2xkwB-2r0hA:
undetectable		 2xkwB-2r0hA:
20.22
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ILE A 192
HIS A 241
LEU A 231
ILE A 216
MET A 199
 None
CO  A4113 ( 3.4A)
None
None
None
 1.05A 2xkwB-2r5vA:
undetectable		 2xkwB-2r5vA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		5 ILE A 283
GLU A 304
SER A  97
ALA A 178
ILE A 271
 None
None
FAD  A 415 (-3.1A)
FAD  A 415 ( 3.9A)
None
 1.20A 2xkwB-2rc5A:
undetectable		 2xkwB-2rc5A:
20.31
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.
2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 271
SER A 187
ALA A 190
ILE A 199
MET A 217
 None
 1.22A 2xkwB-2wbiA:
undetectable		 2xkwB-2wbiA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 ILE A 358
PHE A 386
LEU A 327
ILE A 383
MET A 355
 None
 1.34A 2xkwB-2zv7A:
undetectable		 2xkwB-2zv7A:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ILE A 249
ARG A 288
SER A 289
ALA A 292
LEU A 330
MET A 348
MET A 364
 None
None
MC5  A   1 (-2.6A)
None
MC5  A   1 (-4.4A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
 0.54A 2xkwB-3b0qA:
37.2		 2xkwB-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ILE A 249
GLU A 259
ARG A 288
ALA A 292
LEU A 330
ILE A 341
MET A 348
MET A 364
 None
None
None
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 ( 4.0A)
MC5  A   1 (-3.7A)
 0.57A 2xkwB-3b0qA:
37.2		 2xkwB-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ILE A 249
GLU A 259
CYH A 285
ARG A 288
ALA A 292
LEU A 330
ILE A 341
MET A 364
 None
None
MC5  A   1 (-3.6A)
None
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.5A)
MC5  A   1 (-3.7A)
 0.78A 2xkwB-3b0qA:
37.2		 2xkwB-3b0qA:
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.
3bac DNA LIGASE

(Haemophilus
influenzae) 		PF01653
(DNA_ligase_aden) 		5 ILE A  98
GLU A 300
ALA A 242
LEU A 260
ILE A 292
 None
 1.32A 2xkwB-3bacA:
undetectable		 2xkwB-3bacA:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 456
ALA A 371
LEU A 445
ILE A 363
MET A 453
 None
None
None
L41  A 501 ( 4.4A)
L41  A 501 ( 3.7A)
 1.20A 2xkwB-3d5fA:
33.4		 2xkwB-3d5fA:
61.31
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.
3d5p PUTATIVE GLUCAN
SYNTHESIS REGULATOR
OF SMI1/KNR4 FAMILY

(Bacteroides
fragilis) 		PF09346
(SMI1_KNR4) 		5 ILE A  58
GLU A  23
SER A 117
ALA A 115
LEU A 122
 None
 1.11A 2xkwB-3d5pA:
undetectable		 2xkwB-3d5pA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		8 ILE D 249
CYH D 285
SER D 289
ALA D 292
LEU D 330
ILE D 341
MET D 348
MET D 364
 None
PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.1A)
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.7A)
PLB  D 701 ( 4.8A)
 0.40A 2xkwB-3dzuD:
34.5		 2xkwB-3dzuD:
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.
3f3s LAMBDA-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A  81
CYH A  94
SER A 122
ALA A 144
ILE A  91
 None
None
NAD  A 601 (-4.6A)
None
None
 1.31A 2xkwB-3f3sA:
undetectable		 2xkwB-3f3sA:
22.06
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ILE A  62
PHE A 148
CYH A 141
ALA A 157
ILE A 103
 None
 1.09A 2xkwB-3fdhA:
undetectable		 2xkwB-3fdhA:
19.83
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.
3gha DISULFIDE BOND
FORMATION PROTEIN D

(Bacillus
subtilis) 		PF13462
(Thioredoxin_4) 		5 GLU A  63
PHE A  97
HIS A 129
ALA A 153
LEU A 148
 EDO  A 301 (-3.6A)
EDO  A 301 (-4.6A)
EDO  A 301 (-3.8A)
None
None
 1.18A 2xkwB-3ghaA:
undetectable		 2xkwB-3ghaA:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLU A 192
ARG A 199
ALA A 258
LEU A 254
ILE A 198
 None
 1.32A 2xkwB-3gvcA:
undetectable		 2xkwB-3gvcA:
17.99
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ILE A1326
PHE A1223
ALA A1033
ILE A1386
MET A1388
 None
 1.15A 2xkwB-3hmjA:
undetectable		 2xkwB-3hmjA:
9.27
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ILE A1326
PHE A1223
ALA A1033
LEU A1597
ILE A1386
 None
 1.06A 2xkwB-3hmjA:
undetectable		 2xkwB-3hmjA:
9.27
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.
3ibs CONSERVED
HYPOTHETICAL PROTEIN
BATB

(Bacteroides
thetaiotaomicron) 		PF00092
(VWA) 		5 ILE A 112
SER A 204
ALA A 207
LEU A  42
ILE A 110
 None
 1.00A 2xkwB-3ibsA:
undetectable		 2xkwB-3ibsA:
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.
3io5 RECOMBINATION AND
REPAIR PROTEIN

(Escherichia
virus T4) 		PF00154
(RecA) 		5 ILE A  41
GLU A  46
ALA A 218
LEU A  58
MET A  73
 None
 1.32A 2xkwB-3io5A:
undetectable		 2xkwB-3io5A:
23.26
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 ILE A 382
PHE A 357
LEU A  12
ILE A 355
MET A  46
 None
 1.24A 2xkwB-3kd8A:
undetectable		 2xkwB-3kd8A:
21.26
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.
3nea PEPTIDYL-TRNA
HYDROLASE

(Francisella
tularensis) 		PF01195
(Pept_tRNA_hydro) 		5 ILE A  85
SER A 120
LEU A  10
ILE A  90
MET A   6
 None
 1.26A 2xkwB-3neaA:
undetectable		 2xkwB-3neaA:
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.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 ILE A 437
SER A 493
ALA A 508
LEU A 345
ILE A 449
 None
 1.10A 2xkwB-3pf2A:
undetectable		 2xkwB-3pf2A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pk1 INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens) 		PF00452
(Bcl-2) 		5 PHE A 254
SER A 269
ALA A 272
LEU A 213
ILE A 264
 None
 1.33A 2xkwB-3pk1A:
undetectable		 2xkwB-3pk1A:
22.55
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.
3pn1 DNA LIGASE

(Haemophilus
influenzae) 		PF01653
(DNA_ligase_aden) 		5 ILE A  98
GLU A 300
ALA A 242
LEU A 260
ILE A 292
 None
 1.25A 2xkwB-3pn1A:
undetectable		 2xkwB-3pn1A:
23.72
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 382
GLU A 371
SER A 102
LEU A  80
ILE A 151
 None
 1.20A 2xkwB-3ramA:
undetectable		 2xkwB-3ramA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tlf ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 GLU A  12
ARG A  24
ALA A  27
LEU A  31
ILE A   9
 None
 1.23A 2xkwB-3tlfA:
undetectable		 2xkwB-3tlfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		5 GLU A  70
SER A 284
ALA A 275
LEU A 313
MET A  29
 None
 1.21A 2xkwB-3ty4A:
undetectable		 2xkwB-3ty4A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE C 175
GLU C 248
SER C 187
ALA C 315
LEU C 224
 None
 1.14A 2xkwB-3vtiC:
undetectable		 2xkwB-3vtiC:
25.07
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.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ILE A 498
ALA A  40
ILE A 502
MET A 510
MET A 438
 None
 1.34A 2xkwB-3ziuA:
undetectable		 2xkwB-3ziuA:
18.91
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 ILE A 137
GLU A 133
LEU A 173
ILE A 125
MET A 113
 None
 1.05A 2xkwB-4a2qA:
undetectable		 2xkwB-4a2qA:
17.85
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 ILE A 137
GLU A 133
LEU A 173
ILE A 125
MET A 113
 None
 1.25A 2xkwB-4a2wA:
undetectable		 2xkwB-4a2wA:
15.59
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.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		5 ILE A 191
GLU A  42
SER A  68
ILE A 158
MET A 205
 None
 1.26A 2xkwB-4azwA:
undetectable		 2xkwB-4azwA:
23.20
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.
4cgs POLYMERASE SUBUNIT
PA

(Dhori
thogotovirus) 		no annotation 6 ILE A   9
PHE A 147
HIS A  45
CYH A  43
ILE A  38
MET A  62
 None
None
CME  A  44 ( 4.9A)
CME  A  44 ( 4.8A)
None
None
 1.37A 2xkwB-4cgsA:
undetectable		 2xkwB-4cgsA:
20.79
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		6 ILE A 201
PHE A   6
ALA A  60
LEU A  73
ILE A  80
MET A   1
 None
 1.31A 2xkwB-4e09A:
undetectable		 2xkwB-4e09A:
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.
4e3z PUTATIVE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLU A 176
ARG A 183
ALA A 236
LEU A 232
ILE A 182
 None
 1.31A 2xkwB-4e3zA:
undetectable		 2xkwB-4e3zA:
18.31
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.
4g4s PROTEASOME CHAPERONE
1

(Saccharomyces
cerevisiae) 		PF10450
(POC1) 		5 ILE O 166
PHE O  61
ALA O 266
ILE O 168
MET O 177
 None
 1.23A 2xkwB-4g4sO:
undetectable		 2xkwB-4g4sO:
22.85
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.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae) 		PF02525
(Flavodoxin_2) 		5 ILE A 176
PHE A  98
SER A  37
LEU A  88
MET A 180
 None
 1.27A 2xkwB-4gi5A:
undetectable		 2xkwB-4gi5A:
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.
4h5u PROBABLE HYDROLASE
NIT2

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 ILE A 115
GLU A 124
ALA A 194
LEU A  13
ILE A  90
 None
None
CAF  A 169 ( 4.4A)
None
None
 1.30A 2xkwB-4h5uA:
undetectable		 2xkwB-4h5uA:
20.68
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		5 ILE A 281
ARG A 285
SER A 286
LEU A 243
ILE A 283
 None
NDP  A 401 (-2.8A)
NDP  A 401 (-2.7A)
NDP  A 401 (-3.8A)
NDP  A 401 (-4.4A)
 1.22A 2xkwB-4ijrA:
undetectable		 2xkwB-4ijrA:
22.16
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.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 GLU A  22
ALA A  69
LEU A 119
ILE A 114
MET A 158
 None
 1.34A 2xkwB-4jerA:
undetectable		 2xkwB-4jerA:
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.
4oro POLYMERASE PB2

(Influenza B
virus) 		PF00604
(Flu_PB2) 		5 GLU A 467
PHE A 448
SER A 407
LEU A 376
ILE A 400
 None
 1.15A 2xkwB-4oroA:
undetectable		 2xkwB-4oroA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 ILE H  17
GLU H  14
HIS H 299
SER H 313
LEU H  26
 None
 1.34A 2xkwB-4qslH:
undetectable		 2xkwB-4qslH:
12.28
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.
4rap GLYCOSYLTRANSFERASE
TIBC

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		5 GLU A 326
PHE A 187
HIS A 188
ALA A 118
LEU A 141
 None
 1.21A 2xkwB-4rapA:
undetectable		 2xkwB-4rapA:
24.94
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.
4s1t URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Human
coronavirus
229E) 		PF06471
(NSP11) 		5 ILE A 150
SER A 273
ALA A 272
LEU A  94
ILE A  71
 None
 1.18A 2xkwB-4s1tA:
undetectable		 2xkwB-4s1tA:
23.06
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.
4twg MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
ulcerans) 		PF00994
(MoCF_biosynth) 		5 ILE A  10
CYH A 118
ALA A 150
LEU A 143
ILE A  67
 None
 1.33A 2xkwB-4twgA:
undetectable		 2xkwB-4twgA:
22.63
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.
4yhc STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 5 PHE A 689
SER A 767
ALA A 751
LEU A 814
ILE A 744
 None
CIT  A1102 ( 4.6A)
CIT  A1102 ( 4.2A)
None
None
 1.20A 2xkwB-4yhcA:
undetectable		 2xkwB-4yhcA:
21.81
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 ILE A  22
HIS A  97
ALA A 290
LEU A  10
ILE A  37
 None
 1.26A 2xkwB-4ypvA:
undetectable		 2xkwB-4ypvA:
20.49
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 328
ALA A   3
LEU A  13
ILE A 319
MET A 323
 None
 1.33A 2xkwB-4z6kA:
undetectable		 2xkwB-4z6kA:
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.
5bp3 MYCOCEROSIC ACID
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF14765
(PS-DH) 		5 PHE A1059
HIS A1055
SER A1105
ALA A1077
LEU A1156
 None
 1.26A 2xkwB-5bp3A:
undetectable		 2xkwB-5bp3A:
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.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		5 PHE A  30
HIS A 305
SER A  37
ALA A  40
LEU A  73
 None
 1.28A 2xkwB-5ce0A:
undetectable		 2xkwB-5ce0A:
24.16
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.
5d1p ATP-DEPENDENT RNA
LIGASE

(Methanothermobacter
thermautotrophicus) 		PF09414
(RNA_ligase) 		5 ILE A  13
PHE A  46
LEU A 108
ILE A  59
MET A  41
 None
 1.30A 2xkwB-5d1pA:
undetectable		 2xkwB-5d1pA:
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.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		5 ILE A 390
PHE A 330
ALA A 243
LEU A 248
ILE A 291
 None
 1.32A 2xkwB-5dt5A:
undetectable		 2xkwB-5dt5A:
20.75
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.
5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN

(Chlamydomonas
reinhardtii) 		PF00085
(Thioredoxin)
PF13499
(EF-hand_7) 		5 GLU A 216
ALA A 116
LEU A 178
ILE A 164
MET A 153
 GLU  A 216 ( 0.5A)
ALA  A 116 ( 0.0A)
LEU  A 178 ( 0.6A)
ILE  A 164 ( 0.7A)
MET  A 153 ( 0.0A)
 1.31A 2xkwB-5e37A:
undetectable		 2xkwB-5e37A:
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 ILE B 528
GLU B 525
PHE B 204
ALA B 194
ILE B 318
 None
 1.25A 2xkwB-5fbhB:
undetectable		 2xkwB-5fbhB:
19.22
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.
5fds PROFILIN-2

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 ILE A  50
GLU A  46
PHE A  42
SER A  21
ILE A 103
 None
 1.20A 2xkwB-5fdsA:
undetectable		 2xkwB-5fdsA:
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.
5gmt ALGINATE LYASE

(Aplysia kurodai) 		no annotation 5 ILE A 200
PHE A 174
ALA A  46
ILE A 182
MET A 230
 None
 1.08A 2xkwB-5gmtA:
undetectable		 2xkwB-5gmtA:
22.19
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.
5iy7 TRANSCRIPTION
INITIATION FACTOR
IIE SUBUNIT BETA

(Homo sapiens) 		PF02186
(TFIIE_beta) 		5 GLU R 131
PHE R 139
ARG R 146
ALA R 174
LEU R 151
 None
 1.32A 2xkwB-5iy7R:
undetectable		 2xkwB-5iy7R:
22.91
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.
5l7z MATERNAL PROTEIN
EXUPERANTIA

(Drosophila
melanogaster) 		no annotation 5 ILE A  40
SER A 164
ALA A 163
LEU A 116
ILE A 148
 None
 1.33A 2xkwB-5l7zA:
undetectable		 2xkwB-5l7zA:
23.46
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.
5la0 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		6 ILE A 115
GLU A  94
PHE A 150
ALA A 251
LEU A 308
ILE A 131
 None
 1.50A 2xkwB-5la0A:
undetectable		 2xkwB-5la0A:
20.58
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		5 ILE M 225
ALA M 124
LEU M 236
ILE M 132
MET M 229
 None
 1.32A 2xkwB-5lc5M:
undetectable		 2xkwB-5lc5M:
22.34
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 ILE A 744
CYH A 708
ARG A 707
LEU A 553
ILE A 706
 None
 1.18A 2xkwB-5me3A:
undetectable		 2xkwB-5me3A:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 GLU A  99
SER A 248
ALA A 247
LEU A 272
ILE A 251
 None
 1.29A 2xkwB-5n81A:
undetectable		 2xkwB-5n81A:
16.31
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 ILE A 209
SER A 237
ALA A 240
LEU A  23
ILE A 231
 None
 1.21A 2xkwB-5nd4A:
undetectable		 2xkwB-5nd4A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 5 ILE A 285
ALA A 122
LEU A 117
ILE A 153
MET A  87
 None
 1.31A 2xkwB-5nueA:
undetectable		 2xkwB-5nueA:
15.62
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.
5t4z ANTIBODY DH501 FAB
HEAVY CHAIN
ANTIBODY DH501 FAB
LIGHT CHAIN

(Macaca mulatta) 		no annotation 5 ILE H 100
PHE L  98
ARG H  38
LEU H  80
ILE H  37
 None
 1.28A 2xkwB-5t4zH:
undetectable		 2xkwB-5t4zH:
20.27
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.
5ubv ATPASE DOMAIN OF
I-AAA PROTEASE

(Thermothelomyces
thermophila) 		no annotation 5 GLU A 132
PHE A  91
ALA A  60
LEU A  21
ILE A 144
 None
 1.11A 2xkwB-5ubvA:
undetectable		 2xkwB-5ubvA:
13.65
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.
5vf6 SINGLE CHAIN
VARIABLE FRAGMENT

(Gallus gallus) 		no annotation 5 ILE A 232
PHE A  96
ARG A 161
LEU A 204
ILE A 160
 None
 1.28A 2xkwB-5vf6A:
undetectable		 2xkwB-5vf6A:
15.83
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.
6aqy GDP-L-FUCOSE
SYNTHETASE

(Naegleria
fowleri) 		PF01370
(Epimerase) 		5 ILE A 271
PHE A 313
ALA A 235
LEU A  27
MET A 204
 None
 1.31A 2xkwB-6aqyA:
undetectable		 2xkwB-6aqyA:
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.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 5 ILE A 124
GLU A 174
ARG A 181
ALA A 237
ILE A 180
 None
 1.32A 2xkwB-6b9uA:
undetectable		 2xkwB-6b9uA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 5 ILE A  28
PHE A 221
ALA A 106
ILE A  88
MET A 231
 None
 1.33A 2xkwB-6g7xA:
undetectable		 2xkwB-6g7xA:
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.
6g7x -

(-) 		no annotation 5 ILE A  28
PHE A 221
LEU A 197
ILE A  88
MET A 231
 None
 1.21A 2xkwB-6g7xA:
undetectable		 2xkwB-6g7xA:
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.
6gii CYTOCHROME P450

(Tepidiphilus
thermophilus) 		no annotation 5 ILE A 334
ALA A 189
LEU A 201
ILE A 433
MET A 443
 None
 1.29A 2xkwB-6giiA:
undetectable		 2xkwB-6giiA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gui -

(-) 		no annotation 5 ILE A  51
CYH A 167
ARG A 141
ILE A  49
MET A 204
 None
 1.29A 2xkwB-6guiA:
undetectable		 2xkwB-6guiA:
undetectable