SIMILAR PATTERNS OF AMINO ACIDS FOR 4UIL_H_QI9H1223

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.
1d1d PROTEIN (CAPSID
PROTEIN)

(Rous sarcoma
virus) 		PF00607
(Gag_p24) 		5 ALA A 131
SER A 135
GLN A 120
GLY A 108
PRO A  50
 None
 1.11A 4uilH-1d1dA:
undetectable
4uilL-1d1dA:
undetectable		 4uilH-1d1dA:
19.12
4uilL-1d1dA:
22.92
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 244
ALA A 246
GLY A 306
GLY A 311
LEU A 220
 COA  A1350 (-4.4A)
COA  A1350 ( 3.7A)
None
None
None
 1.11A 4uilH-1eblA:
undetectable
4uilL-1eblA:
undetectable		 4uilH-1eblA:
20.94
4uilL-1eblA:
19.51
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.
1ehi D-ALANINE:D-LACTATE
LIGASE

(Leuconostoc
mesenteroides) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A   7
PHE A 115
GLN A 112
GLY A 106
PRO A  99
 None
 1.21A 4uilH-1ehiA:
2.6
4uilL-1ehiA:
undetectable		 4uilH-1ehiA:
19.85
4uilL-1ehiA:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		8 HIS H  35
GLY H 101
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
 HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 0.85A 4uilH-1fgvH:
20.2
4uilL-1fgvH:
5.2		 4uilH-1fgvH:
53.23
4uilL-1fgvH:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		8 HIS H  35
SER H  59
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
 HIS  H  35 ( 1.0A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 1.00A 4uilH-1fgvH:
20.2
4uilL-1fgvH:
5.2		 4uilH-1fgvH:
53.23
4uilL-1fgvH:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lk3 9D7 HEAVY CHAIN
9D7 LIGHT CHAIN

(Rattus
norvegicus;
Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H  35
GLY H 102
PHE H 106
GLN L  88
GLN L  89
 None
 1.17A 4uilH-1lk3H:
24.6
4uilL-1lk3H:
11.6		 4uilH-1lk3H:
75.23
4uilL-1lk3H:
25.75
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		6 ALA A 200
SER A 102
GLY A  92
PHE A  39
GLN A  30
PRO A  58
 None
MHO  A 122 ( 4.1A)
None
None
None
None
 1.38A 4uilH-1nlrA:
undetectable
4uilL-1nlrA:
undetectable		 4uilH-1nlrA:
23.37
4uilL-1nlrA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ALA A 971
SER A1068
GLY A1128
GLN A 944
GLY A 902
 None
AKG  A2510 ( 4.7A)
FMN  A2508 (-3.4A)
FMN  A2508 (-2.9A)
FMN  A2508 ( 3.9A)
 1.15A 4uilH-1ofeA:
undetectable
4uilL-1ofeA:
undetectable		 4uilH-1ofeA:
9.45
4uilL-1ofeA:
9.05
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 TRP A 442
HIS A 449
GLY A 230
GLN A 250
GLY A 253
 None
 1.12A 4uilH-1qguA:
undetectable
4uilL-1qguA:
undetectable		 4uilH-1qguA:
19.11
4uilL-1qguA:
17.61
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 ALA A 167
GLY A 160
PHE A  78
GLY A 151
LEU A 229
 None
 1.24A 4uilH-1sfrA:
undetectable
4uilL-1sfrA:
undetectable		 4uilH-1sfrA:
20.51
4uilL-1sfrA:
22.92
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.
1svz SINGLE-CHAIN FV
FRAGMENT 1696

(Mus musculus) 		PF07686
(V-set) 		5 HIS A 162
PHE A 234
GLN A  95
GLY A  96
PRO A 101
 None
 0.91A 4uilH-1svzA:
14.8
4uilL-1svzA:
19.0		 4uilH-1svzA:
27.27
4uilL-1svzA:
40.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t6k PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF

(Pseudomonas
fluorescens) 		PF02567
(PhzC-PhzF) 		5 HIS A 155
ALA A 183
SER A 200
GLY A 152
GLY A  73
 None
None
None
None
SO4  A 301 (-3.6A)
 1.19A 4uilH-1t6kA:
undetectable
4uilL-1t6kA:
undetectable		 4uilH-1t6kA:
20.42
4uilL-1t6kA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 ALA A 506
GLU A 329
GLY A 294
PHE A 359
GLN A 141
 None
None
None
None
K  A2603 (-3.2A)
 1.00A 4uilH-1uc4A:
undetectable
4uilL-1uc4A:
undetectable		 4uilH-1uc4A:
17.61
4uilL-1uc4A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 ALA A 506
GLU A 329
PHE A 359
GLN A 141
GLN A 200
 None
None
None
K  A2603 (-3.2A)
K  A2603 ( 4.8A)
 1.08A 4uilH-1uc4A:
undetectable
4uilL-1uc4A:
undetectable		 4uilH-1uc4A:
17.61
4uilL-1uc4A:
17.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		6 HIS A  35
GLY A 100
PHE A 105
GLN C  95
GLY C  96
PRO C 101
 None
 1.27A 4uilH-1wt5A:
21.3
4uilL-1wt5A:
6.7		 4uilH-1wt5A:
40.38
4uilL-1wt5A:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		6 HIS A  35
GLY A 101
PHE A 105
GLN C  95
GLY C  96
PRO C 101
 None
 0.93A 4uilH-1wt5A:
21.3
4uilL-1wt5A:
6.7		 4uilH-1wt5A:
40.38
4uilL-1wt5A:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		6 TRP A  33
HIS A  35
PHE A 105
GLN C  95
GLY C  96
PRO C 101
 None
 0.76A 4uilH-1wt5A:
21.3
4uilL-1wt5A:
6.7		 4uilH-1wt5A:
40.38
4uilL-1wt5A:
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 HIS A 344
SER A  52
GLU A 325
GLY A 321
GLY A 100
 None
None
MG  A 401 (-3.4A)
None
None
 1.28A 4uilH-1xfiA:
undetectable
4uilL-1xfiA:
undetectable		 4uilH-1xfiA:
18.57
4uilL-1xfiA:
22.25
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.
2b8t THYMIDINE KINASE

(Ureaplasma
parvum) 		PF00265
(TK) 		5 ALA A  74
GLY A  94
GLN A  99
GLY A 123
LEU A 139
 None
 1.28A 4uilH-2b8tA:
undetectable
4uilL-2b8tA:
undetectable		 4uilH-2b8tA:
20.91
4uilL-2b8tA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 ALA A 156
GLY A 183
GLN A 356
GLY A 409
PRO A 407
 None
 1.22A 4uilH-2dc0A:
undetectable
4uilL-2dc0A:
undetectable		 4uilH-2dc0A:
17.33
4uilL-2dc0A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		5 SER A 256
GLY A  82
GLN A 262
GLY A 215
PRO A 259
 None
 1.09A 4uilH-2dr1A:
undetectable
4uilL-2dr1A:
undetectable		 4uilH-2dr1A:
20.05
4uilL-2dr1A:
19.95
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A 172
SER A 149
GLU A 324
GLY A 304
GLN A  67
 GLU  A 701 (-3.9A)
GLU  A 701 (-4.0A)
None
None
None
 1.19A 4uilH-2e4uA:
undetectable
4uilL-2e4uA:
undetectable		 4uilH-2e4uA:
15.81
4uilL-2e4uA:
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.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 HIS A  69
ALA A 138
SER A 139
GLY A  17
GLY A  44
 ASP  A 901 (-3.9A)
ASP  A 901 (-3.5A)
ASP  A 901 (-2.7A)
ASP  A 901 ( 4.5A)
None
 1.23A 4uilH-2f5xA:
undetectable
4uilL-2f5xA:
undetectable		 4uilH-2f5xA:
22.54
4uilL-2f5xA:
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.
2nbj CHROMOSOMAL PROTEIN
MC1

(Methanosarcina
thermophila) 		PF05854
(MC1) 		5 HIS A  56
GLU A  49
GLY A  51
GLN A  23
PRO A  24
 None
 1.19A 4uilH-2nbjA:
undetectable
4uilL-2nbjA:
undetectable		 4uilH-2nbjA:
15.28
4uilL-2nbjA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nbj CHROMOSOMAL PROTEIN
MC1

(Methanosarcina
thermophila) 		PF05854
(MC1) 		5 HIS A  56
GLU A  49
PHE A   6
GLN A  23
PRO A  24
 None
 1.09A 4uilH-2nbjA:
undetectable
4uilL-2nbjA:
undetectable		 4uilH-2nbjA:
15.28
4uilL-2nbjA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLU A 168
GLY A  91
GLN A 282
GLY A 203
LEU A 222
 None
4PA  A 369 ( 3.8A)
None
4PA  A 369 ( 3.7A)
None
 1.27A 4uilH-2o7rA:
undetectable
4uilL-2o7rA:
undetectable		 4uilH-2o7rA:
20.53
4uilL-2o7rA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r1i GCN5-RELATED
N-ACETYLTRANSFERASE

(Arthrobacter
sp. FB24) 		PF00583
(Acetyltransf_1) 		5 ALA A 120
SER A 121
GLY A  75
GLY A 110
LEU A 102
 None
 1.23A 4uilH-2r1iA:
undetectable
4uilL-2r1iA:
undetectable		 4uilH-2r1iA:
19.38
4uilL-2r1iA:
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.
2reb REC A

(Escherichia
coli) 		PF00154
(RecA) 		5 ALA A 258
GLU A 273
GLY A 272
GLN A  78
GLY A 267
 None
 1.28A 4uilH-2rebA:
undetectable
4uilL-2rebA:
undetectable		 4uilH-2rebA:
19.44
4uilL-2rebA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 SER A 286
GLY A 260
GLN A 243
GLY A 192
LEU A 235
 None
 1.25A 4uilH-2wdaA:
undetectable
4uilL-2wdaA:
undetectable		 4uilH-2wdaA:
14.50
4uilL-2wdaA:
13.16
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.
2xvn ASPERGILLUS
FUMIGATUS CHITINASE
A1

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 137
SER A 136
GLY A 178
PHE A 171
GLY A 122
 None
 1.24A 4uilH-2xvnA:
undetectable
4uilL-2xvnA:
undetectable		 4uilH-2xvnA:
20.50
4uilL-2xvnA:
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ALA A 179
SER A 150
GLY A 193
LEU A 198
PRO A 244
 DEP  A 304 ( 4.1A)
DEP  A 304 (-1.5A)
None
DEP  A 304 ( 4.6A)
None
 1.12A 4uilH-3ailA:
undetectable
4uilL-3ailA:
undetectable		 4uilH-3ailA:
21.36
4uilL-3ailA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ALA A 179
SER A 150
GLY A 207
LEU A 198
PRO A 244
 DEP  A 304 ( 4.1A)
DEP  A 304 (-1.5A)
None
DEP  A 304 ( 4.6A)
None
 1.06A 4uilH-3ailA:
undetectable
4uilL-3ailA:
undetectable		 4uilH-3ailA:
21.36
4uilL-3ailA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6l TCR 2W20 ALPHA CHAIN
TCR 2W20 BETA CHAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968)
PF07654
(C1-set)
PF07686
(V-set) 		5 ALA A  44
GLU A  41
GLY A  40
GLN B   4
GLY B 104
 None
 1.03A 4uilH-3c6lA:
14.9
4uilL-3c6lA:
14.0		 4uilH-3c6lA:
27.19
4uilL-3c6lA:
24.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dyj TALIN-1

(Mus musculus) 		no annotation 5 HIS A2015
GLU A2010
GLY A2008
GLN A2077
GLY A2070
 None
 1.28A 4uilH-3dyjA:
undetectable
4uilL-3dyjA:
undetectable		 4uilH-3dyjA:
19.70
4uilL-3dyjA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e2v 3'-5'-EXONUCLEASE

(Saccharomyces
cerevisiae) 		PF01026
(TatD_DNase) 		5 GLU A 120
PHE A 121
GLN A 208
GLY A 112
LEU A 168
 None
 1.08A 4uilH-3e2vA:
undetectable
4uilL-3e2vA:
undetectable		 4uilH-3e2vA:
20.36
4uilL-3e2vA:
20.17
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 ALA A 128
SER A 216
GLY A  68
PHE A 176
GLY A 163
 None
 1.25A 4uilH-3efbA:
undetectable
4uilL-3efbA:
undetectable		 4uilH-3efbA:
21.65
4uilL-3efbA:
19.71
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 HIS A1184
ALA A1164
SER A1099
GLY A1182
GLY A 723
 MD1  A1245 ( 4.6A)
None
MD1  A1245 (-2.7A)
None
None
 1.24A 4uilH-3egwA:
undetectable
4uilL-3egwA:
undetectable		 4uilH-3egwA:
11.18
4uilL-3egwA:
10.50
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.
3esu ANTIBODY 14B7* LIGHT
CHAIN AND ANTIBODY
14B7* HEAVY CHAIN
LINKED WITH A
SYNTHETIC (GGGGS)4
LINKER

(Mus musculus) 		PF07686
(V-set) 		5 TRP F1033
GLN F  89
GLN F  90
GLY F  91
LEU F  94
 None
 0.68A 4uilH-3esuF:
14.8
4uilL-3esuF:
20.9		 4uilH-3esuF:
26.52
4uilL-3esuF:
52.40
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 416
SER A 113
GLU A 421
GLN A 324
GLN A 290
 None
 1.23A 4uilH-3fhhA:
undetectable
4uilL-3fhhA:
undetectable		 4uilH-3fhhA:
16.02
4uilL-3fhhA:
15.65
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 ALA A 376
GLU A 123
GLY A 119
PHE A 124
GLY A 194
 None
 1.26A 4uilH-3g0iA:
undetectable
4uilL-3g0iA:
undetectable		 4uilH-3g0iA:
22.54
4uilL-3g0iA:
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 HIS A 152
ALA A  81
SER A  60
GLY A 158
GLY A 127
 None
 1.07A 4uilH-3gm8A:
6.5
4uilL-3gm8A:
5.6		 4uilH-3gm8A:
14.14
4uilL-3gm8A:
13.46
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 HIS A 140
ALA A 142
SER A 146
LEU A 126
PRO A 137
 None
 1.10A 4uilH-3h2iA:
undetectable
4uilL-3h2iA:
undetectable		 4uilH-3h2iA:
20.76
4uilL-3h2iA:
19.45
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 GLY A  83
PHE A  78
GLY A 229
LEU A 231
PRO A 235
 None
 1.15A 4uilH-3ht4A:
undetectable
4uilL-3ht4A:
undetectable		 4uilH-3ht4A:
20.00
4uilL-3ht4A:
17.02
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.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 ALA A 604
GLY A 714
GLN A 667
GLY A 664
LEU A 612
 None
 1.09A 4uilH-3ikmA:
undetectable
4uilL-3ikmA:
undetectable		 4uilH-3ikmA:
11.78
4uilL-3ikmA:
11.25
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 243
ALA A 245
GLY A 305
GLY A 310
LEU A 219
 SCY  A 112 ( 3.8A)
None
SCY  A 112 ( 4.1A)
None
None
 0.98A 4uilH-3il3A:
undetectable
4uilL-3il3A:
undetectable		 4uilH-3il3A:
19.64
4uilL-3il3A:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iu3 HEAVY CHAIN OF FAB
FRAGMENT OF
BASILIXIMAB

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP A  31
HIS A  33
ALA A  48
SER A  57
PHE A 102
 None
 0.35A 4uilH-3iu3A:
25.4
4uilL-3iu3A:
12.5		 4uilH-3iu3A:
76.82
4uilL-3iu3A:
29.31
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 ALA A 257
GLY A 124
GLN A  46
GLY A  96
LEU A 162
 NAD  A 400 ( 4.3A)
None
NAD  A 400 (-3.3A)
None
NAD  A 400 (-3.6A)
 0.89A 4uilH-3jzdA:
undetectable
4uilL-3jzdA:
undetectable		 4uilH-3jzdA:
20.94
4uilL-3jzdA:
19.44
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 ALA A 283
GLY A 135
GLY A 181
LEU A 176
PRO A 177
 None
SO4  A 507 (-3.2A)
None
None
None
 1.30A 4uilH-3nztA:
undetectable
4uilL-3nztA:
undetectable		 4uilH-3nztA:
17.05
4uilL-3nztA:
15.82
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 SER A 149
GLY A 138
GLY A 397
LEU A 412
PRO A 395
 None
 0.98A 4uilH-3pfoA:
undetectable
4uilL-3pfoA:
undetectable		 4uilH-3pfoA:
21.60
4uilL-3pfoA:
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 ALA A 338
GLU A 164
GLY A 390
GLY A 158
LEU A 115
 None
 0.99A 4uilH-3qp9A:
undetectable
4uilL-3qp9A:
undetectable		 4uilH-3qp9A:
18.03
4uilL-3qp9A:
17.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpx FAB C2507 HEAVY
CHAIN
FAB C2507 LIGHT
CHAIN

(Homo sapiens;
Rattus
norvegicus;
Homo sapiens;
Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  33
SER H  59
PHE H 106
GLN L  89
GLN L  90
 SO4  H 230 (-4.1A)
None
None
None
None
 1.04A 4uilH-3qpxH:
19.0
4uilL-3qpxH:
11.7		 4uilH-3qpxH:
55.16
4uilL-3qpxH:
29.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 HIS A  37
SER A  61
PHE A 108
GLN A 227
PRO A 233
 None
NHE  A 300 (-4.6A)
None
None
NHE  A 300 ( 4.6A)
 0.65A 4uilH-3umtA:
21.3
4uilL-3umtA:
19.5		 4uilH-3umtA:
42.97
4uilL-3umtA:
39.44
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 5 HIS A 115
ALA A 178
GLU A 241
GLY A 243
GLN A 248
 None
 1.13A 4uilH-3w9aA:
undetectable
4uilL-3w9aA:
undetectable		 4uilH-3w9aA:
19.44
4uilL-3w9aA:
23.28
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 SER A 156
GLY A 214
GLY A 207
LEU A 205
PRO A 252
 None
 1.18A 4uilH-3wj2A:
undetectable
4uilL-3wj2A:
undetectable		 4uilH-3wj2A:
18.50
4uilL-3wj2A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 TRP A 256
GLU A  91
GLY A  87
LEU A 295
PRO A 294
 None
 1.16A 4uilH-3ziuA:
undetectable
4uilL-3ziuA:
undetectable		 4uilH-3ziuA:
15.05
4uilL-3ziuA:
14.76
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		5 GLU A 492
GLY A 490
PHE A 544
GLN A 528
LEU A 111
 None
 1.06A 4uilH-4aysA:
undetectable
4uilL-4aysA:
undetectable		 4uilH-4aysA:
17.00
4uilL-4aysA:
15.84
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.
4bsx TIR
DOMAIN-CONTAINING
ADAPTER MOLECULE 1

(Homo sapiens) 		no annotation 5 ALA A  97
SER A  93
GLU A 139
GLY A 134
LEU A 125
 None
 0.93A 4uilH-4bsxA:
undetectable
4uilL-4bsxA:
undetectable		 4uilH-4bsxA:
20.26
4uilL-4bsxA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 HIS A 346
GLU A 519
GLY A 514
GLY A 336
LEU A 323
 None
 1.09A 4uilH-4cmrA:
undetectable
4uilL-4cmrA:
undetectable		 4uilH-4cmrA:
16.46
4uilL-4cmrA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 256
ALA A 258
GLY A 318
GLY A 323
LEU A 232
 CSO  A 123 ( 3.7A)
None
None
None
None
 1.01A 4uilH-4dfeA:
undetectable
4uilL-4dfeA:
undetectable		 4uilH-4dfeA:
22.75
4uilL-4dfeA:
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.
4f1p ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 ALA A 656
GLY A 663
GLY A 667
LEU A 692
PRO A 676
 None
 1.29A 4uilH-4f1pA:
undetectable
4uilL-4f1pA:
undetectable		 4uilH-4f1pA:
19.68
4uilL-4f1pA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ffy DENV1-E111 SINGLE
CHAIN VARIABLE
FRAGMENT (HEAVY
CHAIN)
DENV1-E111 SINGLE
CHAIN VARIABLE
FRAGMENT (LIGHT
CHAIN)

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 TRP H  33
HIS H  35
PHE H 105
GLN L  89
GLN L  90
 None
 0.87A 4uilH-4ffyH:
21.4
4uilL-4ffyH:
6.2		 4uilH-4ffyH:
36.32
4uilL-4ffyH:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 ALA A 283
GLU A 117
GLY A 328
GLY A 111
LEU A  68
 None
 1.04A 4uilH-4hxyA:
undetectable
4uilL-4hxyA:
undetectable		 4uilH-4hxyA:
15.92
4uilL-4hxyA:
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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		5 GLU A 139
GLY A 407
GLN A 135
LEU A 119
PRO A 150
 None
 1.14A 4uilH-4j7hA:
undetectable
4uilL-4j7hA:
undetectable		 4uilH-4j7hA:
17.32
4uilL-4j7hA:
18.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k2u ANTIBODY HEAVY CHAIN
ANTIBODY LIGHT CHAIN

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H  35
PHE H 100
GLN L  89
GLN L  90
GLY L  91
 None
 0.96A 4uilH-4k2uH:
25.8
4uilL-4k2uH:
16.5		 4uilH-4k2uH:
78.32
4uilL-4k2uH:
28.69
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.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens;
Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 ALA B 255
GLY A 336
GLY A 352
LEU A 103
PRO B 156
 None
 1.28A 4uilH-4nenB:
4.9
4uilL-4nenB:
4.1		 4uilH-4nenB:
14.98
4uilL-4nenB:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 243
ALA A 245
GLY A 305
GLY A 310
LEU A 219
 SCY  A 112 (-3.8A)
COA  A 401 (-3.3A)
SCY  A 112 ( 3.8A)
None
None
 1.03A 4uilH-4nhdA:
undetectable
4uilL-4nhdA:
undetectable		 4uilH-4nhdA:
19.81
4uilL-4nhdA:
21.54
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 ALA A 179
SER A 151
GLY A 207
LEU A 198
PRO A 245
 None
 1.11A 4uilH-4p9nA:
undetectable
4uilL-4p9nA:
undetectable		 4uilH-4p9nA:
22.08
4uilL-4p9nA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 284
SER A 279
GLY A 335
GLY A 340
LEU A 214
 None
 1.27A 4uilH-4rnwA:
undetectable
4uilL-4rnwA:
undetectable		 4uilH-4rnwA:
19.85
4uilL-4rnwA:
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.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A  34
SER A  29
GLY A  85
GLY A  90
LEU A 363
 None
 1.30A 4uilH-4rnxA:
undetectable
4uilL-4rnxA:
undetectable		 4uilH-4rnxA:
20.63
4uilL-4rnxA:
17.22
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.
4ryb 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Neisseria
meningitidis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 247
ALA A 249
GLY A 309
GLY A 314
LEU A 223
 None
 1.11A 4uilH-4rybA:
undetectable
4uilL-4rybA:
undetectable		 4uilH-4rybA:
20.87
4uilL-4rybA:
21.22
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 307
ALA A 467
SER A 469
GLY A 109
PRO A 373
 None
 1.02A 4uilH-4udrA:
undetectable
4uilL-4udrA:
undetectable		 4uilH-4udrA:
18.44
4uilL-4udrA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		5 TRP A 128
HIS A 389
ALA A 342
GLY A 127
GLY A 230
 None
 0.89A 4uilH-4uz1A:
undetectable
4uilL-4uz1A:
undetectable		 4uilH-4uz1A:
21.60
4uilL-4uz1A:
17.74
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.
4v1u LYND
PATE

(Lyngbya
aestuarii;
uncultured
Prochloron sp.) 		PF02624
(YcaO)
no annotation 		5 HIS A  32
ALA C  33
PHE A  13
GLN A  10
GLY A 100
 None
 1.01A 4uilH-4v1uA:
undetectable
4uilL-4v1uA:
undetectable		 4uilH-4v1uA:
16.53
4uilL-4v1uA:
15.37
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 TRP A 444
HIS A 451
GLY A 232
GLN A 252
GLY A 255
 None
 1.12A 4uilH-4wzbA:
undetectable
4uilL-4wzbA:
undetectable		 4uilH-4wzbA:
17.71
4uilL-4wzbA:
17.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x4y HUMAN VARIABLE HEAVY
CHAIN OF HERCEPTIN
HUMAN VARIABLE LIGHT
CHAIN OF HERCEPTIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 HIS A  35
GLY A 100
GLN B  89
GLN B  90
PRO B  96
 None
 1.14A 4uilH-4x4yA:
20.3
4uilL-4x4yA:
5.1		 4uilH-4x4yA:
32.87
4uilL-4x4yA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ALA A 169
GLY A 154
GLN A 163
GLY A 158
LEU A 210
 None
 1.11A 4uilH-4zdkA:
undetectable
4uilL-4zdkA:
undetectable		 4uilH-4zdkA:
15.73
4uilL-4zdkA:
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		5 HIS A 110
SER A  23
GLU A 134
GLY A 182
PRO A 184
 None
UDP  A 501 (-2.8A)
None
None
None
 1.28A 4uilH-4zhtA:
undetectable
4uilL-4zhtA:
undetectable		 4uilH-4zhtA:
20.89
4uilL-4zhtA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 5 HIS A 120
SER A 127
GLU A 295
GLY A 294
GLY A 114
 ZN  A 401 ( 3.3A)
None
None
None
None
 1.24A 4uilH-4zyoA:
undetectable
4uilL-4zyoA:
undetectable		 4uilH-4zyoA:
20.81
4uilL-4zyoA:
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 TRP A 423
GLU A  85
GLY A  81
LEU A 462
PRO A 461
 None
 1.14A 4uilH-5ah5A:
undetectable
4uilL-5ah5A:
undetectable		 4uilH-5ah5A:
15.04
4uilL-5ah5A:
14.06
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ALA A 166
SER A 143
GLU A 318
GLY A 298
GLN A  60
 GGL  A 601 (-3.8A)
CL  A 602 ( 4.1A)
GGL  A 601 ( 4.9A)
None
None
 1.13A 4uilH-5cniA:
undetectable
4uilL-5cniA:
undetectable		 4uilH-5cniA:
17.14
4uilL-5cniA:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dd5 ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN
ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN

(Macaca mulatta;
Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  33
PHE H 100
GLN L  89
GLN L  90
PRO L  96
 None
 0.87A 4uilH-5dd5H:
18.6
4uilL-5dd5H:
12.2		 4uilH-5dd5H:
51.93
4uilL-5dd5H:
24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ebw ANTIBODY FAB
FRAGMENT LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP A  33
HIS A  35
GLU A  99
GLY A 101
PHE A 105
 None
 0.51A 4uilH-5ebwA:
19.7
4uilL-5ebwA:
11.7		 4uilH-5ebwA:
79.37
4uilL-5ebwA:
26.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fhx ANTIBODY FRAGMENT
HEAVY-CHAIN
ANTIBODY FRAGMENT
LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  33
HIS H  35
PHE H 110
GLN L 207
GLN L 208
 PO4  H 401 (-4.7A)
None
None
None
None
 0.78A 4uilH-5fhxH:
21.5
4uilL-5fhxH:
11.6		 4uilH-5fhxH:
44.93
4uilL-5fhxH:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 PHE L 103
GLN H 223
GLN H 224
GLY H 225
LEU H 228
 PHE  L 103 ( 1.3A)
GLN  H 223 ( 0.6A)
GLN  H 224 ( 0.6A)
GLY  H 225 ( 0.0A)
LEU  H 228 ( 0.6A)
 0.62A 4uilH-5gruL:
18.6
4uilL-5gruL:
19.3		 4uilH-5gruL:
35.54
4uilL-5gruL:
66.36
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.
5htl MSHA BIOGENESIS
PROTEIN MSHE

(Vibrio cholerae) 		PF05157
(T2SSE_N) 		5 ALA A  92
GLY A  96
PHE A 129
GLY A 126
LEU A 122
 None
 1.18A 4uilH-5htlA:
undetectable
4uilL-5htlA:
undetectable		 4uilH-5htlA:
21.76
4uilL-5htlA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j98 VP2

(Slow bee
paralysis virus) 		PF00073
(Rhv) 		5 ALA B 155
GLU B 212
GLY B  73
PHE B 210
GLN B  78
 None
 1.11A 4uilH-5j98B:
undetectable
4uilL-5j98B:
undetectable		 4uilH-5j98B:
21.53
4uilL-5j98B:
22.18
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 ALA A1183
GLY A1274
GLN A1175
GLY A1086
LEU A1081
 None
 1.03A 4uilH-5jbeA:
undetectable
4uilL-5jbeA:
undetectable		 4uilH-5jbeA:
13.30
4uilL-5jbeA:
15.86
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		5 ALA A 125
SER A 129
GLY A  71
GLN A 236
GLY A 183
 None
None
None
None
LLP  A  42 ( 3.7A)
 1.16A 4uilH-5jjcA:
undetectable
4uilL-5jjcA:
undetectable		 4uilH-5jjcA:
21.76
4uilL-5jjcA:
19.88
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		5 ALA A 265
GLU A 280
GLY A 279
GLN A  85
GLY A 274
 None
 1.22A 4uilH-5jrjA:
undetectable
4uilL-5jrjA:
undetectable		 4uilH-5jrjA:
20.83
4uilL-5jrjA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jsz CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN

(Lactobacillus
delbrueckii) 		PF12822
(ECF_trnsprt) 		5 ALA C  65
SER C  67
GLY C  97
LEU C  51
PRO C  93
 None
 1.30A 4uilH-5jszC:
undetectable
4uilL-5jszC:
undetectable		 4uilH-5jszC:
20.94
4uilL-5jszC:
18.87
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ALA A  52
GLY A  83
PHE A 126
GLN A  87
LEU A  61
 EDO  A 601 (-3.4A)
None
None
None
None
 1.24A 4uilH-5khaA:
undetectable
4uilL-5khaA:
undetectable		 4uilH-5khaA:
19.01
4uilL-5khaA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mh5 D-2-HYDROXYACID
DEHYDROGENASE

(Haloferax
mediterranei) 		no annotation 5 HIS A  91
ALA A 277
SER A 276
GLY A  68
GLY A 144
 7N5  A 413 (-3.8A)
NAP  A 414 (-3.7A)
NAP  A 414 (-3.3A)
NAP  A 414 ( 3.6A)
NAP  A 414 (-3.2A)
 1.22A 4uilH-5mh5A:
undetectable
4uilL-5mh5A:
undetectable		 4uilH-5mh5A:
undetectable
4uilL-5mh5A:
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 TRP A 120
ALA A 247
GLY A 192
GLY A 318
LEU A 239
 None
 1.24A 4uilH-5mifA:
undetectable
4uilL-5mifA:
undetectable		 4uilH-5mifA:
20.34
4uilL-5mifA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2j PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN PTXB

(Pseudomonas
stutzeri) 		no annotation 5 ALA A 169
GLY A 114
GLN A 149
GLY A 143
LEU A 135
 None
 1.04A 4uilH-5o2jA:
undetectable
4uilL-5o2jA:
undetectable		 4uilH-5o2jA:
undetectable
4uilL-5o2jA:
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 516
GLU A 557
GLN A 523
GLY A 559
LEU A 520
 None
EDO  A 701 (-3.8A)
None
None
None
 1.27A 4uilH-5vrbA:
undetectable
4uilL-5vrbA:
undetectable		 4uilH-5vrbA:
15.35
4uilL-5vrbA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 ALA A 316
GLU A 153
GLY A 362
GLY A 147
LEU A 104
 None
None
8H6  A 502 (-3.1A)
None
None
 1.05A 4uilH-5xwwA:
undetectable
4uilL-5xwwA:
undetectable		 4uilH-5xwwA:
undetectable
4uilL-5xwwA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 HIS B 279
ALA B 293
GLY B 249
PHE B 252
GLY B 254
 None
 1.24A 4uilH-6btmB:
undetectable
4uilL-6btmB:
undetectable		 4uilH-6btmB:
undetectable
4uilL-6btmB:
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 5 HIS A 512
GLU A 502
PHE A 484
GLN A 478
GLY A 481
 None
 1.18A 4uilH-6byxA:
undetectable
4uilL-6byxA:
undetectable		 4uilH-6byxA:
undetectable
4uilL-6byxA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ehx SCFV ABVANCE:
INCREASING OUR
KNOWLEDGE OF
ANTIBODY STRUCTURAL
SPACE TO ENABLE
FASTER AND BETTER
DECISION MAKING IN
DRUG DISCOVERY

(Homo sapiens) 		no annotation 5 HIS B  35
GLY B 101
PHE B 108
GLN B 225
GLN B 226
 None
 0.97A 4uilH-6ehxB:
19.9
4uilL-6ehxB:
20.1		 4uilH-6ehxB:
41.74
4uilL-6ehxB:
71.03
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.
6ffj -

(-) 		no annotation 6 HIS A  35
GLN A 488
GLN A 489
GLY A 490
LEU A 493
PRO A 495
 None
 0.77A 4uilH-6ffjA:
21.4
4uilL-6ffjA:
20.7		 4uilH-6ffjA:
undetectable
4uilL-6ffjA:
undetectable