SIMILAR PATTERNS OF AMINO ACIDS FOR 1KQB_B_BEZB525

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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLU A 131
GLY A 130
SER A   1
THR A 173
 None
 1.31A 1kqbA-1cqjA:
0.0
1kqbB-1cqjA:
0.0		 1kqbA-1cqjA:
20.83
1kqbB-1cqjA:
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.
1ddv GLGF-DOMAIN PROTEIN
HOMER

(Rattus
norvegicus) 		PF00568
(WH1) 		4 GLY A  89
SER A  71
THR A  70
PHE A  74
 None
 1.22A 1kqbA-1ddvA:
0.0
1kqbB-1ddvA:
0.0		 1kqbA-1ddvA:
17.70
1kqbB-1ddvA:
17.70
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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLU A 232
GLY A 137
SER A 217
THR A 218
 None
 1.32A 1kqbA-1deuA:
0.0
1kqbB-1deuA:
0.0		 1kqbA-1deuA:
20.71
1kqbB-1deuA:
20.71
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.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42) 		4 GLU A 203
GLY A 205
SER A 211
THR A 220
 None
 0.95A 1kqbA-1dmlA:
0.0
1kqbB-1dmlA:
0.0		 1kqbA-1dmlA:
21.41
1kqbB-1dmlA:
21.41
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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 GLU A 232
GLY A 137
SER A 217
THR A 218
 None
 1.29A 1kqbA-1ef7A:
0.0
1kqbB-1ef7A:
0.0		 1kqbA-1ef7A:
22.80
1kqbB-1ef7A:
22.80
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.
1f3j H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN

(Mus musculus) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
 1.09A 1kqbA-1f3jA:
0.0
1kqbB-1f3jA:
0.0		 1kqbA-1f3jA:
19.17
1kqbB-1f3jA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 GLU A 100
GLY A  98
SER A 103
PHE A  47
 None
SO4  A 200 (-3.0A)
None
None
 1.13A 1kqbA-1g33A:
undetectable
1kqbB-1g33A:
undetectable		 1kqbA-1g33A:
16.13
1kqbB-1g33A:
16.13
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 GLU A 114
GLY A 101
SER A 112
THR A 111
 None
None
None
GOL  A 611 (-4.6A)
 1.14A 1kqbA-1gq1A:
0.0
1kqbB-1gq1A:
0.0		 1kqbA-1gq1A:
18.07
1kqbB-1gq1A:
18.07
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		4 GLU L 156
GLY L 157
SER L 198
THR L 199
 None
 1.27A 1kqbA-1hfeL:
0.0
1kqbB-1hfeL:
0.0		 1kqbA-1hfeL:
19.40
1kqbB-1hfeL:
19.40
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 GLU A 212
GLY A 215
SER A 174
THR A 175
 None
 1.26A 1kqbA-1i4wA:
0.0
1kqbB-1i4wA:
0.0		 1kqbA-1i4wA:
21.47
1kqbB-1i4wA:
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 GLU A 102
GLY A 100
SER A  69
THR A  62
 None
 1.16A 1kqbA-1i7qA:
undetectable
1kqbB-1i7qA:
undetectable		 1kqbA-1i7qA:
18.69
1kqbB-1i7qA:
18.69
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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		4 GLU A 136
GLY A 135
SER A 103
THR A 104
 None
 1.30A 1kqbA-1kbzA:
undetectable
1kqbB-1kbzA:
undetectable		 1kqbA-1kbzA:
24.12
1kqbB-1kbzA:
24.12
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 GLU A 142
GLY A 146
SER A 140
PHE A 158
 None
None
NAD  A1300 (-4.3A)
None
 1.32A 1kqbA-1nffA:
undetectable
1kqbB-1nffA:
undetectable		 1kqbA-1nffA:
22.97
1kqbB-1nffA:
22.97
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		4 GLU A 265
GLY A 263
THR A 268
PHE A 275
 None
 1.16A 1kqbA-1o9bA:
undetectable
1kqbB-1o9bA:
undetectable		 1kqbA-1o9bA:
24.33
1kqbB-1o9bA:
24.33
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 GLU A 361
GLY A 360
SER A 162
PHE A 228
 None
 1.06A 1kqbA-1q1lA:
undetectable
1kqbB-1q1lA:
undetectable		 1kqbA-1q1lA:
20.45
1kqbB-1q1lA:
20.45
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1kqbA-1qs0B:
undetectable
1kqbB-1qs0B:
undetectable		 1kqbA-1qs0B:
21.41
1kqbB-1qs0B:
21.41
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.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01264
(Chorismate_synt) 		4 GLU A 256
GLY A 258
SER A 307
THR A 220
 None
 0.86A 1kqbA-1r53A:
1.4
1kqbB-1r53A:
1.5		 1kqbA-1r53A:
18.85
1kqbB-1r53A:
18.85
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.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 GLU B1951
GLY B1978
THR B1949
PHE B1952
 None
 1.25A 1kqbA-1sddB:
undetectable
1kqbB-1sddB:
undetectable		 1kqbA-1sddB:
15.87
1kqbB-1sddB:
15.87
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.
1sy6 T-CELL SURFACE
GLYCOPROTEIN CD3
GAMMA/EPSILON CHAIN
OKT3 FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF16680
(Ig_4)
PF16681
(Ig_5)
PF07654
(C1-set)
PF07686
(V-set) 		4 GLU A 155
GLY A 153
SER H  54
THR H  30
 None
 1.28A 1kqbA-1sy6A:
undetectable
1kqbB-1sy6A:
undetectable		 1kqbA-1sy6A:
25.83
1kqbB-1sy6A:
25.83
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.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		4 GLU A 239
GLY A 310
SER A 235
PHE A 306
 None
None
K  A1503 (-2.9A)
GOL  A1401 ( 3.8A)
 1.30A 1kqbA-1ta9A:
undetectable
1kqbB-1ta9A:
undetectable		 1kqbA-1ta9A:
19.38
1kqbB-1ta9A:
19.38
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 404
SER A 410
THR A 268
PHE A 408
 ACE  A 633 (-3.1A)
None
None
None
 1.08A 1kqbA-1tqyA:
undetectable
1kqbB-1tqyA:
undetectable		 1kqbA-1tqyA:
19.72
1kqbB-1tqyA:
19.72
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 407
SER A 410
THR A 268
PHE A 408
 None
 1.26A 1kqbA-1tqyA:
undetectable
1kqbB-1tqyA:
undetectable		 1kqbA-1tqyA:
19.72
1kqbB-1tqyA:
19.72
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.
1usv AHA1

(Saccharomyces
cerevisiae) 		PF09229
(Aha1_N) 		4 GLU B  51
GLY B  52
SER B  49
THR B  72
 None
 1.12A 1kqbA-1usvB:
undetectable
1kqbB-1usvB:
undetectable		 1kqbA-1usvB:
19.40
1kqbB-1usvB:
19.40
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.
1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG

(Clostridium
acetobutylicum) 		PF04321
(RmlD_sub_bind) 		4 GLU A 133
GLY A 132
SER A 100
THR A 101
 None
None
None
NAI  A 300 (-4.0A)
 1.19A 1kqbA-1vl0A:
undetectable
1kqbB-1vl0A:
undetectable		 1kqbA-1vl0A:
24.83
1kqbB-1vl0A:
24.83
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLY A 131
SER A 305
THR A 304
PHE A 333
 PYC  A 700 (-3.7A)
None
None
None
 1.10A 1kqbA-1w61A:
undetectable
1kqbB-1w61A:
undetectable		 1kqbA-1w61A:
19.86
1kqbB-1w61A:
19.86
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 GLU A 623
GLY A 502
THR A 505
PHE A 504
 None
 1.26A 1kqbA-1zvdA:
undetectable
1kqbB-1zvdA:
undetectable		 1kqbA-1zvdA:
19.05
1kqbB-1zvdA:
19.05
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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.09A 1kqbA-1zypA:
undetectable
1kqbB-1zypA:
undetectable		 1kqbA-1zypA:
19.37
1kqbB-1zypA:
19.37
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 262
SER A 283
THR A 282
PHE A 274
 None
 1.32A 1kqbA-2bc0A:
undetectable
1kqbB-2bc0A:
undetectable		 1kqbA-2bc0A:
17.62
1kqbB-2bc0A:
17.62
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.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		4 GLY C  43
SER C  49
THR C  50
PHE C  47
 None
 1.31A 1kqbA-2bs4C:
undetectable
1kqbB-2bs4C:
undetectable		 1kqbA-2bs4C:
23.68
1kqbB-2bs4C:
23.68
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1

(Daboia
siamensis;
Daboia
siamensis) 		PF00059
(Lectin_C)
PF00059
(Lectin_C) 		4 GLU B  98
GLY B  95
SER C 110
PHE B  99
 None
 1.09A 1kqbA-2e3xB:
undetectable
1kqbB-2e3xB:
undetectable		 1kqbA-2e3xB:
19.27
1kqbB-2e3xB:
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 635
GLY A 639
SER A 571
THR A 532
 None
 0.89A 1kqbA-2f57A:
undetectable
1kqbB-2f57A:
undetectable		 1kqbA-2f57A:
22.78
1kqbB-2f57A:
22.78
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.
2fbe PREDICTED: SIMILAR
TO RET FINGER
PROTEIN-LIKE 1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 GLY A  99
SER A 114
THR A 102
PHE A 100
 None
 1.29A 1kqbA-2fbeA:
undetectable
1kqbB-2fbeA:
undetectable		 1kqbA-2fbeA:
21.70
1kqbB-2fbeA:
21.70
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.
2ggs 273AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Sulfurisphaera
tokodaii) 		PF04321
(RmlD_sub_bind) 		4 GLU A 138
GLY A 137
SER A 106
THR A 107
 None
None
None
NDP  A 900 (-4.2A)
 1.18A 1kqbA-2ggsA:
undetectable
1kqbB-2ggsA:
undetectable		 1kqbA-2ggsA:
23.94
1kqbB-2ggsA:
23.94
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.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 GLY A 148
SER A 211
THR A 207
PHE A 180
 None
 1.10A 1kqbA-2h63A:
undetectable
1kqbB-2h63A:
undetectable		 1kqbA-2h63A:
21.45
1kqbB-2h63A:
21.45
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.
2hcs RNA-DIRECTED RNA
POLYMERASE (NS5)

(West Nile virus) 		PF00972
(Flavi_NS5) 		4 GLU A 627
GLY A 630
SER A 682
THR A 681
 None
 1.26A 1kqbA-2hcsA:
undetectable
1kqbB-2hcsA:
undetectable		 1kqbA-2hcsA:
16.44
1kqbB-2hcsA:
16.44
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.
2j3s FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 GLU A2206
GLY A2208
SER A2180
THR A2179
 None
 1.30A 1kqbA-2j3sA:
undetectable
1kqbB-2j3sA:
undetectable		 1kqbA-2j3sA:
22.03
1kqbB-2j3sA:
22.03
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.
2jad YELLOW FLUORESCENT
PROTEIN GLUTAREDOXIN
FUSION PROTEIN

(Saccharomyces
cerevisiae;
Aequorea
victoria) 		PF00462
(Glutaredoxin)
PF01353
(GFP) 		4 GLU A   5
GLY A   4
THR A   9
PHE A   8
 None
 1.32A 1kqbA-2jadA:
undetectable
1kqbB-2jadA:
undetectable		 1kqbA-2jadA:
18.64
1kqbB-2jadA:
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 GLU A 207
GLY A 211
THR A 205
PHE A 208
 None
None
EDO  A1004 ( 4.4A)
None
 1.16A 1kqbA-2pb0A:
undetectable
1kqbB-2pb0A:
undetectable		 1kqbA-2pb0A:
20.15
1kqbB-2pb0A:
20.15
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.
2pbe AMINOGLYCOSIDE
6-ADENYLYLTRANSFERAS
E

(Bacillus
subtilis) 		PF04439
(Adenyl_transf) 		4 GLU A  75
GLY A  85
SER A  89
THR A 103
 None
 0.94A 1kqbA-2pbeA:
undetectable
1kqbB-2pbeA:
undetectable		 1kqbA-2pbeA:
19.73
1kqbB-2pbeA:
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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLU A  62
SER A  34
THR A  35
PHE A  31
 None
 1.27A 1kqbA-2v6bA:
undetectable
1kqbB-2v6bA:
undetectable		 1kqbA-2v6bA:
23.78
1kqbB-2v6bA:
23.78
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 GLY A 391
SER A 396
THR A 399
PHE A 392
 None
 1.28A 1kqbA-2v8nA:
undetectable
1kqbB-2v8nA:
undetectable		 1kqbA-2v8nA:
19.63
1kqbB-2v8nA:
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.
2wbj OB TCR

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU D 128
SER D 123
THR D 122
PHE D  50
 None
 0.99A 1kqbA-2wbjD:
undetectable
1kqbB-2wbjD:
undetectable		 1kqbA-2wbjD:
21.92
1kqbB-2wbjD:
21.92
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLU A 300
GLY A 298
THR A 256
PHE A 309
 None
 1.31A 1kqbA-2wdwA:
undetectable
1kqbB-2wdwA:
undetectable		 1kqbA-2wdwA:
16.70
1kqbB-2wdwA:
16.70
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		4 GLY A 273
SER A 325
THR A 328
PHE A 292
 C5P  A1344 (-3.2A)
None
None
C5P  A1344 (-4.6A)
 1.32A 1kqbA-2wnbA:
undetectable
1kqbB-2wnbA:
undetectable		 1kqbA-2wnbA:
21.61
1kqbB-2wnbA:
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.
2xs5 DELETED IN
AZOOSPERMIA-LIKE

(Mus musculus) 		PF00076
(RRM_1) 		4 GLU A  68
SER A  86
THR A  41
PHE A  84
 None
None
U  C   4 ( 4.3A)
U  C   4 ( 3.6A)
 1.18A 1kqbA-2xs5A:
undetectable
1kqbB-2xs5A:
undetectable		 1kqbA-2xs5A:
18.86
1kqbB-2xs5A:
18.86
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.
2xs5 DELETED IN
AZOOSPERMIA-LIKE

(Mus musculus) 		PF00076
(RRM_1) 		4 GLY A  83
SER A  86
THR A  41
PHE A  84
 None
None
U  C   4 ( 4.3A)
U  C   4 ( 3.6A)
 1.20A 1kqbA-2xs5A:
undetectable
1kqbB-2xs5A:
undetectable		 1kqbA-2xs5A:
18.86
1kqbB-2xs5A:
18.86
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.
2y6g XYLANASE

(Rhodothermus
marinus) 		PF02018
(CBM_4_9) 		4 GLU A  11
GLY A   8
THR A  13
PHE A  10
 CA  A1169 (-3.4A)
None
None
None
 1.15A 1kqbA-2y6gA:
undetectable
1kqbB-2y6gA:
undetectable		 1kqbA-2y6gA:
21.46
1kqbB-2y6gA:
21.46
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.
2y6g XYLANASE

(Rhodothermus
marinus) 		PF02018
(CBM_4_9) 		4 GLU A  11
GLY A   9
THR A  13
PHE A  10
 CA  A1169 (-3.4A)
CA  A1169 (-3.6A)
None
None
 1.28A 1kqbA-2y6gA:
undetectable
1kqbB-2y6gA:
undetectable		 1kqbA-2y6gA:
21.46
1kqbB-2y6gA:
21.46
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 GLU A 250
GLY A 252
SER A  51
THR A  52
 None
 0.98A 1kqbA-2ynkA:
undetectable
1kqbB-2ynkA:
undetectable		 1kqbA-2ynkA:
18.46
1kqbB-2ynkA:
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		4 GLU A 292
GLY A 291
THR A 296
PHE A 295
 None
 1.32A 1kqbA-3bleA:
undetectable
1kqbB-3bleA:
undetectable		 1kqbA-3bleA:
22.78
1kqbB-3bleA:
22.78
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 GLU A   7
GLY A   8
SER A 399
THR A 381
 None
 0.91A 1kqbA-3bryA:
undetectable
1kqbB-3bryA:
undetectable		 1kqbA-3bryA:
20.40
1kqbB-3bryA:
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.
3elz ILEAL BILE
ACID-BINDING PROTEIN

(Danio rerio) 		PF14651
(Lipocalin_7) 		4 GLU A  86
GLY A  87
SER A  84
THR A  91
 None
 1.24A 1kqbA-3elzA:
undetectable
1kqbB-3elzA:
undetectable		 1kqbA-3elzA:
21.65
1kqbB-3elzA:
21.65
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 GLU A 162
GLY A 163
SER A 158
THR A 156
 None
 1.01A 1kqbA-3griA:
undetectable
1kqbB-3griA:
undetectable		 1kqbA-3griA:
19.76
1kqbB-3griA:
19.76
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 GLU A 132
GLY A 128
THR A 135
PHE A  95
 None
 1.06A 1kqbA-3kzwA:
undetectable
1kqbB-3kzwA:
undetectable		 1kqbA-3kzwA:
17.97
1kqbB-3kzwA:
17.97
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 GLU A 560
SER A 923
THR A 926
PHE A 920
 None
 1.24A 1kqbA-3ne5A:
2.2
1kqbB-3ne5A:
undetectable		 1kqbA-3ne5A:
11.74
1kqbB-3ne5A:
11.74
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.
3pdu 3-HYDROXYISOBUTYRATE
DEHYDROGENASE FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 GLU A 118
GLY A 139
SER A 102
THR A 103
 None
 0.78A 1kqbA-3pduA:
undetectable
1kqbB-3pduA:
undetectable		 1kqbA-3pduA:
23.59
1kqbB-3pduA:
23.59
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.
3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Klebsiella
pneumoniae) 		PF08282
(Hydrolase_3) 		4 GLU A 183
GLY A  43
SER A 177
THR A 178
 None
EPE  A 268 (-3.7A)
EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
 1.31A 1kqbA-3pgvA:
undetectable
1kqbB-3pgvA:
2.5		 1kqbA-3pgvA:
21.25
1kqbB-3pgvA:
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.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		4 GLU A  87
GLY A  88
SER A  65
PHE A 142
 None
 1.30A 1kqbA-3qz6A:
undetectable
1kqbB-3qz6A:
undetectable		 1kqbA-3qz6A:
23.90
1kqbB-3qz6A:
23.90
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		4 GLU A 135
GLY A 134
SER A 102
THR A 103
 None
None
None
NAP  A 285 (-4.0A)
 1.16A 1kqbA-3sc6A:
undetectable
1kqbB-3sc6A:
undetectable		 1kqbA-3sc6A:
25.34
1kqbB-3sc6A:
25.34
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.
3shp PUTATIVE
ACETYLTRANSFERASE
STHE_0691

(Sphaerobacter
thermophilus) 		no annotation 4 GLU A  76
GLY A  78
SER A  83
THR A 120
 None
 0.92A 1kqbA-3shpA:
undetectable
1kqbB-3shpA:
undetectable		 1kqbA-3shpA:
21.43
1kqbB-3shpA:
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 GLU A 346
GLY A 141
SER A 338
THR A 337
 None
 1.11A 1kqbA-3ty1A:
undetectable
1kqbB-3ty1A:
undetectable		 1kqbA-3ty1A:
19.18
1kqbB-3ty1A:
19.18
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLU A 160
GLY A 158
SER A 138
THR A 139
 None
 1.16A 1kqbA-3u5tA:
undetectable
1kqbB-3u5tA:
undetectable		 1kqbA-3u5tA:
23.78
1kqbB-3u5tA:
23.78
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.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		4 GLU A 151
GLY A 149
SER A 118
THR A 119
 None
None
None
UD1  A 400 (-3.0A)
 1.16A 1kqbA-3vpsA:
undetectable
1kqbB-3vpsA:
undetectable		 1kqbA-3vpsA:
22.50
1kqbB-3vpsA:
22.50
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 GLU A  39
GLY A 402
SER A 342
THR A 343
 None
 1.17A 1kqbA-3zxlA:
undetectable
1kqbB-3zxlA:
undetectable		 1kqbA-3zxlA:
16.51
1kqbB-3zxlA:
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.
4ang COAT PROTEIN

(Pseudomonas
phage PRR1) 		PF01819
(Levi_coat) 		4 GLU A  42
GLY A  41
SER A  35
THR A  36
 None
 1.21A 1kqbA-4angA:
undetectable
1kqbB-4angA:
undetectable		 1kqbA-4angA:
20.55
1kqbB-4angA:
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		4 GLU A1826
GLY A1823
SER A1829
THR A1828
 CA  A2050 ( 4.8A)
None
None
None
 1.07A 1kqbA-4bxoA:
undetectable
1kqbB-4bxoA:
undetectable		 1kqbA-4bxoA:
19.39
1kqbB-4bxoA:
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		4 GLU A1826
GLY A1824
SER A1829
THR A1828
 CA  A2050 ( 4.8A)
None
None
None
 1.24A 1kqbA-4bxoA:
undetectable
1kqbB-4bxoA:
undetectable		 1kqbA-4bxoA:
19.39
1kqbB-4bxoA:
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 GLU A 236
GLY A 235
SER A 192
THR A 193
 None
 1.26A 1kqbA-4dqvA:
undetectable
1kqbB-4dqvA:
undetectable		 1kqbA-4dqvA:
17.51
1kqbB-4dqvA:
17.51
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		4 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 1.00A 1kqbA-4fieA:
undetectable
1kqbB-4fieA:
undetectable		 1kqbA-4fieA:
20.09
1kqbB-4fieA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hrt HEMOGLOBIN B CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		4 GLU B 115
GLY B 114
SER B  46
THR B  45
 HEM  B 201 ( 4.9A)
None
None
None
 1.29A 1kqbA-4hrtB:
undetectable
1kqbB-4hrtB:
undetectable		 1kqbA-4hrtB:
21.78
1kqbB-4hrtB:
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLU A  78
GLY A  76
SER A  40
THR A  39
 None
 0.78A 1kqbA-4isbA:
undetectable
1kqbB-4isbA:
undetectable		 1kqbA-4isbA:
17.03
1kqbB-4isbA:
17.03
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 593
GLY A 597
SER A 529
THR A 490
 None
 0.93A 1kqbA-4ks8A:
undetectable
1kqbB-4ks8A:
undetectable		 1kqbA-4ks8A:
24.25
1kqbB-4ks8A:
24.25
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.
4maf ATP SULFURYLASE

(Glycine max) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 GLU A  95
GLY A  96
SER A 226
THR A 228
 None
 1.32A 1kqbA-4mafA:
undetectable
1kqbB-4mafA:
undetectable		 1kqbA-4mafA:
21.17
1kqbB-4mafA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		4 GLU A 154
GLY A  13
SER A 152
PHE A  14
 None
 1.30A 1kqbA-4mjkA:
undetectable
1kqbB-4mjkA:
undetectable		 1kqbA-4mjkA:
21.68
1kqbB-4mjkA:
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 GLU A 602
GLY A 603
THR A 671
PHE A 651
 None
 1.32A 1kqbA-4om9A:
undetectable
1kqbB-4om9A:
undetectable		 1kqbA-4om9A:
13.42
1kqbB-4om9A:
13.42
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 GLU A  55
GLY A  56
SER A  53
THR A  60
 None
 1.12A 1kqbA-4p7hA:
undetectable
1kqbB-4p7hA:
undetectable		 1kqbA-4p7hA:
12.88
1kqbB-4p7hA:
12.88
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.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		4 GLU A1958
GLY A1954
SER A1942
THR A1915
 None
None
None
NDP  A2202 (-4.5A)
 1.31A 1kqbA-4pivA:
undetectable
1kqbB-4pivA:
undetectable		 1kqbA-4pivA:
16.51
1kqbB-4pivA:
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 GLU A 534
GLY A 533
SER A 530
THR A 454
 None
 1.07A 1kqbA-4qawA:
undetectable
1kqbB-4qawA:
undetectable		 1kqbA-4qawA:
17.40
1kqbB-4qawA:
17.40
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.
4r1d UNCHARACTERIZED
PROTEIN
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		no annotation
no annotation 		4 GLU A 104
GLY B  64
SER B 215
THR B 216
 None
 1.17A 1kqbA-4r1dA:
undetectable
1kqbB-4r1dA:
undetectable		 1kqbA-4r1dA:
16.87
1kqbB-4r1dA:
16.87
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.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 GLU A 225
GLY A 131
SER A 216
PHE A 132
 None
 1.31A 1kqbA-4rl6A:
undetectable
1kqbB-4rl6A:
undetectable		 1kqbA-4rl6A:
20.47
1kqbB-4rl6A:
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.
4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Desulfovibrio
fructosivorans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 GLU A 250
GLY A 247
THR A 256
PHE A 253
 None
F3S  A1266 (-4.6A)
None
None
 1.27A 1kqbA-4ucwA:
undetectable
1kqbB-4ucwA:
undetectable		 1kqbA-4ucwA:
22.38
1kqbB-4ucwA:
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 GLU A 445
GLY A 446
THR A 435
PHE A 451
 None
 1.09A 1kqbA-4uw2A:
undetectable
1kqbB-4uw2A:
undetectable		 1kqbA-4uw2A:
14.02
1kqbB-4uw2A:
14.02
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 GLU A 135
GLY A 134
SER A 100
THR A 101
 None
 1.24A 1kqbA-4wpgA:
undetectable
1kqbB-4wpgA:
undetectable		 1kqbA-4wpgA:
23.00
1kqbB-4wpgA:
23.00
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		4 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 0.93A 1kqbA-4xbrA:
undetectable
1kqbB-4xbrA:
undetectable		 1kqbA-4xbrA:
20.54
1kqbB-4xbrA:
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.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.08A 1kqbA-4xvgA:
undetectable
1kqbB-4xvgA:
undetectable		 1kqbA-4xvgA:
18.79
1kqbB-4xvgA:
18.79
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.
4y13 TRANSCRIPTIONAL
REGULATOR OF FTSQAZ
GENE CLUSTER

(Escherichia
coli) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 GLY A 131
SER A 134
THR A 120
PHE A 132
 None
480  A 303 (-3.3A)
None
None
 1.19A 1kqbA-4y13A:
undetectable
1kqbB-4y13A:
undetectable		 1kqbA-4y13A:
22.05
1kqbB-4y13A:
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 GLU A 630
SER A 168
THR A 169
PHE A 642
 None
 1.23A 1kqbA-4yj1A:
undetectable
1kqbB-4yj1A:
undetectable		 1kqbA-4yj1A:
16.75
1kqbB-4yj1A:
16.75
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		4 GLU D  42
GLY D  43
SER D  40
THR D  51
 None
 1.24A 1kqbA-5a6bD:
undetectable
1kqbB-5a6bD:
undetectable		 1kqbA-5a6bD:
16.05
1kqbB-5a6bD:
16.05
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 GLU A 375
GLY A 374
SER A 409
THR A 412
 None
 1.03A 1kqbA-5az4A:
undetectable
1kqbB-5az4A:
undetectable		 1kqbA-5az4A:
13.70
1kqbB-5az4A:
13.70
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLU A 241
GLY A 240
SER A 270
THR A 267
 None
MG  A2001 ( 4.4A)
None
None
 1.17A 1kqbA-5e6sA:
undetectable
1kqbB-5e6sA:
undetectable		 1kqbA-5e6sA:
14.63
1kqbB-5e6sA:
14.63
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.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 GLU A 244
GLY A 247
SER A 242
THR A 241
 None
 1.24A 1kqbA-5enoA:
undetectable
1kqbB-5enoA:
undetectable		 1kqbA-5enoA:
16.07
1kqbB-5enoA:
16.07
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		4 GLU A 225
GLY A 208
SER A 223
THR A 220
 None
 1.28A 1kqbA-5f7vA:
undetectable
1kqbB-5f7vA:
undetectable		 1kqbA-5f7vA:
20.69
1kqbB-5f7vA:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLU B 649
GLY B 651
SER B 590
THR B 565
 None
 0.96A 1kqbA-5fq6B:
undetectable
1kqbB-5fq6B:
undetectable		 1kqbA-5fq6B:
12.70
1kqbB-5fq6B:
12.70
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 456
GLY A 460
SER A 392
THR A 353
 None
 1.02A 1kqbA-5kbrA:
undetectable
1kqbB-5kbrA:
undetectable		 1kqbA-5kbrA:
23.21
1kqbB-5kbrA:
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 GLU A 477
GLY A 475
SER A 479
PHE A 589
 None
 1.25A 1kqbA-5m41A:
undetectable
1kqbB-5m41A:
undetectable		 1kqbA-5m41A:
undetectable
1kqbB-5m41A:
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		4 GLU A 964
GLY A 963
SER A 920
THR A 921
 None
 1.18A 1kqbA-5msoA:
undetectable
1kqbB-5msoA:
undetectable		 1kqbA-5msoA:
12.47
1kqbB-5msoA:
12.47
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.
5n7z LIPOPOLYSACCHARIDE
1,6-GALACTOSYLTRANSF
ERASE

(Salmonella
enterica) 		no annotation 4 GLU A 268
GLY A 292
THR A 273
PHE A 270
 None
 1.18A 1kqbA-5n7zA:
undetectable
1kqbB-5n7zA:
undetectable		 1kqbA-5n7zA:
undetectable
1kqbB-5n7zA:
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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 GLU A 507
GLY A 511
SER A 443
THR A 404
 ACT  A 602 (-3.9A)
None
ACT  A 602 (-3.4A)
ACT  A 602 (-3.3A)
 0.92A 1kqbA-5vefA:
undetectable
1kqbB-5vefA:
undetectable		 1kqbA-5vefA:
21.34
1kqbB-5vefA:
21.34
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 GLU A  72
GLY A  69
SER A 155
THR A 165
 None
 1.08A 1kqbA-6c4gA:
undetectable
1kqbB-6c4gA:
undetectable		 1kqbA-6c4gA:
undetectable
1kqbB-6c4gA:
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.
6fk6 RHODOPSIN

(Bos taurus) 		no annotation 4 GLU A 181
GLY A 182
SER A 186
THR A  94
 BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
 1.17A 1kqbA-6fk6A:
undetectable
1kqbB-6fk6A:
undetectable		 1kqbA-6fk6A:
undetectable
1kqbB-6fk6A:
undetectable