SIMILAR PATTERNS OF AMINO ACIDS FOR 4UIN_H_QI9H1226

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.
1ce7 PROTEIN
(RIBOSOME-INACTIVATI
NG PROTEIN TYPE II)

(Viscum album) 		PF00161
(RIP) 		5 THR A  72
GLY A  47
PHE A  52
GLY A  93
PRO A  91
 None
 0.84A 4uinH-1ce7A:
0.0
4uinL-1ce7A:
0.0		 4uinH-1ce7A:
21.21
4uinL-1ce7A:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ehl ANTI-(6-4)
PHOTOPRODUCT
ANTIBODY 64M-2 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  33
HIS H  35
TRP H  47
THR H  50
SER H  58
 None
 0.35A 4uinH-1ehlH:
27.3
4uinL-1ehlH:
17.6		 4uinH-1ehlH:
83.26
4uinL-1ehlH:
27.27
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) 		6 HIS H  35
GLY H 101
PHE H 111
GLY L  91
LEU L  94
PRO L  96
 HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 0.84A 4uinH-1fgvH:
21.2
4uinL-1fgvH:
13.6		 4uinH-1fgvH:
52.42
4uinL-1fgvH:
20.48
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) 		6 HIS H  35
TRP H  47
PHE H 111
GLY L  91
LEU L  94
PRO L  96
 HIS  H  35 ( 1.0A)
TRP  H  47 ( 0.4A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 0.73A 4uinH-1fgvH:
21.2
4uinL-1fgvH:
13.6		 4uinH-1fgvH:
52.42
4uinL-1fgvH:
20.48
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) 		6 TRP H  47
SER H  59
PHE H 111
GLY L  91
LEU L  94
PRO L  96
 TRP  H  47 ( 0.4A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
 0.91A 4uinH-1fgvH:
21.2
4uinL-1fgvH:
13.6		 4uinH-1fgvH:
52.42
4uinL-1fgvH:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flc HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN
HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN

(Influenza C
virus;
Influenza C
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase)
PF08720
(Hema_stalk) 		5 SER B  58
ARG B 100
PHE A  34
GLY B  97
LEU B 103
 NAG  B1300 ( 4.0A)
None
None
None
None
 1.17A 4uinH-1flcB:
0.0
4uinL-1flcB:
0.0		 4uinH-1flcB:
21.19
4uinL-1flcB:
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.
1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1

(Homo sapiens) 		PF00415
(RCC1) 		5 TRP B 369
HIS B 305
SER B 300
GLY B 370
GLY B 408
 None
 1.35A 4uinH-1i2mB:
0.0
4uinL-1i2mB:
0.0		 4uinH-1i2mB:
18.39
4uinL-1i2mB:
18.47
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 TRP A 100
THR A 204
PHE A  91
GLY A  74
LEU A 280
 None
 1.21A 4uinH-1ji6A:
1.6
4uinL-1ji6A:
0.6		 4uinH-1ji6A:
16.98
4uinL-1ji6A:
15.94
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		5 THR A 213
GLY A 266
ARG A 264
PHE A 226
PRO A 224
 None
 1.26A 4uinH-1q47A:
0.0
4uinL-1q47A:
0.0		 4uinH-1q47A:
18.79
4uinL-1q47A:
17.07
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.
1q7l AMINOACYLASE-1
AMINOACYLASE-1

(Homo sapiens;
Homo sapiens) 		PF01546
(Peptidase_M20)
PF01546
(Peptidase_M20) 		5 HIS A  80
GLU A 147
GLY B 347
GLY A 176
LEU B 372
 ZN  A1002 ( 3.2A)
ZN  A1002 ( 3.8A)
None
None
None
 1.40A 4uinH-1q7lA:
undetectable
4uinL-1q7lA:
undetectable		 4uinH-1q7lA:
19.50
4uinL-1q7lA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP1)
PROTEIN (VIRUS
CAPSID PROTEIN VP2)
PROTEIN (GH-LOOP
FROM VIRUS CAPSID
PROTEIN VP1)

(Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus) 		PF00073
(Rhv)
PF00073
(Rhv)
no annotation 		5 HIS 1 123
GLY 2 164
GLY 1 132
LEU 5 155
PRO 5 156
 None
 1.37A 4uinH-1qgc1:
undetectable
4uinL-1qgc1:
undetectable		 4uinH-1qgc1:
25.33
4uinL-1qgc1:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TRP A 271
SER A 242
GLY A 481
PHE A 371
GLY A 436
 SO4  A 593 (-4.4A)
None
I40  A 997 ( 4.3A)
I40  A 997 (-4.9A)
None
 1.41A 4uinH-1qonA:
undetectable
4uinL-1qonA:
undetectable		 4uinH-1qonA:
16.52
4uinL-1qonA:
15.12
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 HIS A 332
SER A 474
GLY A 329
PHE A 316
GLY A 364
 None
 1.30A 4uinH-1ry2A:
undetectable
4uinL-1ry2A:
undetectable		 4uinH-1ry2A:
17.33
4uinL-1ry2A:
14.71
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.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 THR A 343
GLY A 259
PHE A 318
GLY A 354
PRO A 326
 None
 1.19A 4uinH-1v5vA:
undetectable
4uinL-1v5vA:
undetectable		 4uinH-1v5vA:
17.89
4uinL-1v5vA:
18.78
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 THR A 454
SER A 491
GLY A 461
GLY A 538
LEU A 517
 None
 1.11A 4uinH-1vcnA:
undetectable
4uinL-1vcnA:
undetectable		 4uinH-1vcnA:
17.74
4uinL-1vcnA:
18.77
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.
1vic 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Haemophilus
influenzae) 		PF02348
(CTP_transf_3) 		5 THR A  76
SER A  74
GLY A 187
GLY A  99
PRO A   8
 None
 1.36A 4uinH-1vicA:
undetectable
4uinL-1vicA:
undetectable		 4uinH-1vicA:
22.22
4uinL-1vicA:
21.09
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
TRP A  47
GLY A 100
PHE A 105
GLY C  96
PRO C 101
 None
 1.18A 4uinH-1wt5A:
22.1
4uinL-1wt5A:
14.5		 4uinH-1wt5A:
35.56
4uinL-1wt5A:
17.29
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
TRP A  47
GLY A 101
PHE A 105
GLY C  96
PRO C 101
 None
 1.15A 4uinH-1wt5A:
22.1
4uinL-1wt5A:
14.5		 4uinH-1wt5A:
35.56
4uinL-1wt5A:
17.29
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) 		5 TRP A  33
HIS A  35
TRP A  47
PHE A 104
PRO C 101
 None
 1.34A 4uinH-1wt5A:
22.1
4uinL-1wt5A:
14.5		 4uinH-1wt5A:
35.56
4uinL-1wt5A:
17.29
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
TRP A  47
PHE A 105
GLY C  96
PRO C 101
 None
 0.93A 4uinH-1wt5A:
22.1
4uinL-1wt5A:
14.5		 4uinH-1wt5A:
35.56
4uinL-1wt5A:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9j PROBABLE BUTYRATE
KINASE 2

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		5 SER A  17
GLY A  10
ARG A  74
GLY A  75
LEU A 338
 None
None
GOL  A 395 ( 4.6A)
None
None
 1.01A 4uinH-1x9jA:
undetectable
4uinL-1x9jA:
undetectable		 4uinH-1x9jA:
19.21
4uinL-1x9jA:
20.34
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TRP A  99
THR A 170
GLY A 145
LEU A 152
PRO A 149
 None
 1.49A 4uinH-1xc6A:
2.5
4uinL-1xc6A:
undetectable		 4uinH-1xc6A:
12.94
4uinL-1xc6A:
12.74
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.
1xq9 PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		5 GLU A  45
GLY A  42
GLY A  50
LEU A  17
PRO A 221
 None
 1.31A 4uinH-1xq9A:
undetectable
4uinL-1xq9A:
undetectable		 4uinH-1xq9A:
20.60
4uinL-1xq9A:
21.90
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.
2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 HIS A 193
THR A 197
GLU A 182
PHE A 184
GLY A 179
 None
 1.14A 4uinH-2b3oA:
undetectable
4uinL-2b3oA:
undetectable		 4uinH-2b3oA:
19.14
4uinL-2b3oA:
17.43
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.
2c2q G/U
MISMATCH-SPECIFIC
DNA GLYCOSYLASE

(Deinococcus
radiodurans) 		PF03167
(UDG) 		5 THR A  56
GLY A 177
GLY A 140
LEU A 157
PRO A 158
 None
 1.46A 4uinH-2c2qA:
undetectable
4uinL-2c2qA:
undetectable		 4uinH-2c2qA:
25.40
4uinL-2c2qA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 HIS A 592
THR A 351
GLY A 355
ARG A 356
GLY A 584
 None
 1.29A 4uinH-2g5tA:
undetectable
4uinL-2g5tA:
undetectable		 4uinH-2g5tA:
16.05
4uinL-2g5tA:
13.79
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 154
SER A 155
GLY A 291
GLY A 247
LEU A 245
 None
 1.30A 4uinH-2h6eA:
undetectable
4uinL-2h6eA:
undetectable		 4uinH-2h6eA:
20.35
4uinL-2h6eA:
22.15
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 HIS A 253
THR A 255
GLU A 266
GLY A 131
GLY A  63
 TEO  A1002 (-4.0A)
None
None
None
FAD  A1001 (-4.1A)
 1.42A 4uinH-2h88A:
undetectable
4uinL-2h88A:
undetectable		 4uinH-2h88A:
16.59
4uinL-2h88A:
16.83
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.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 GLY A  28
PHE A  36
GLY A  64
LEU A  41
PRO A  62
 None
None
None
CL  A 611 (-3.8A)
CL  A 611 ( 4.3A)
 1.45A 4uinH-2id3A:
undetectable
4uinL-2id3A:
undetectable		 4uinH-2id3A:
18.78
4uinL-2id3A:
20.76
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.
2knr UNCHARACTERIZED
PROTEIN ATC0905

(Agrobacterium
fabrum) 		PF07372
(DUF1491) 		5 TRP A  97
SER A  10
GLY A  34
PHE A  70
LEU A   3
 None
 1.15A 4uinH-2knrA:
undetectable
4uinL-2knrA:
undetectable		 4uinH-2knrA:
18.86
4uinL-2knrA:
17.05
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.
2nz2 ARGININOSUCCINATE
SYNTHASE

(Homo sapiens) 		PF00764
(Arginosuc_synth) 		5 HIS A 187
THR A  91
SER A  92
GLY A 280
GLY A 264
 None
CIR  A 502 (-3.7A)
None
None
None
 1.50A 4uinH-2nz2A:
undetectable
4uinL-2nz2A:
undetectable		 4uinH-2nz2A:
18.20
4uinL-2nz2A:
20.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2op4 MURINE ANTIBODY FAB
RS2-1G9 IGG1 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  33
HIS H  35
TRP H  47
THR H  50
PHE H 100
 None
EDO  H 229 (-4.6A)
None
None
EDO  H 229 (-3.4A)
 0.46A 4uinH-2op4H:
26.5
4uinL-2op4H:
18.0		 4uinH-2op4H:
77.93
4uinL-2op4H:
28.21
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.
2rf4 DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4
DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N)
PF08203
(RNA_polI_A14) 		5 THR A  34
GLU A 134
GLY A 135
GLY B  98
PRO B 100
 None
 1.39A 4uinH-2rf4A:
undetectable
4uinL-2rf4A:
undetectable		 4uinH-2rf4A:
20.59
4uinL-2rf4A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rf4 DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4
DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N)
PF08203
(RNA_polI_A14) 		5 THR A  34
GLU A 134
GLY A 135
LEU B  99
PRO B 100
 None
 1.21A 4uinH-2rf4A:
undetectable
4uinL-2rf4A:
undetectable		 4uinH-2rf4A:
20.59
4uinL-2rf4A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 331
SER A 330
GLY A  34
PHE A  24
GLY A 234
 None
 1.38A 4uinH-2rjtA:
undetectable
4uinL-2rjtA:
undetectable		 4uinH-2rjtA:
19.85
4uinL-2rjtA:
19.08
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 HIS A 242
THR A 244
GLU A 255
GLY A 120
GLY A  52
 TEO  A1589 (-3.9A)
None
None
None
FAD  A 601 (-4.1A)
 1.40A 4uinH-2wu5A:
undetectable
4uinL-2wu5A:
undetectable		 4uinH-2wu5A:
16.95
4uinL-2wu5A:
19.65
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 SER A 426
GLY A 268
ARG A 368
PHE A 261
GLY A 366
 None
 1.42A 4uinH-2x0sA:
undetectable
4uinL-2x0sA:
undetectable		 4uinH-2x0sA:
12.49
4uinL-2x0sA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 THR B  41
SER B  40
GLU B  34
LEU B  24
PRO B   4
 None
 1.46A 4uinH-2x25B:
undetectable
4uinL-2x25B:
undetectable		 4uinH-2x25B:
20.44
4uinL-2x25B:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 TRP A  84
SER A 112
GLY A  85
GLY A 291
PRO A 342
 None
None
None
MG  A 485 ( 4.2A)
None
 1.46A 4uinH-3b9tA:
undetectable
4uinL-3b9tA:
undetectable		 4uinH-3b9tA:
19.59
4uinL-3b9tA:
18.43
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 THR A 584
GLY A 581
PHE A 512
LEU A 451
PRO A 402
 SO4  A  26 (-3.6A)
None
None
None
None
 1.09A 4uinH-3dwkA:
undetectable
4uinL-3dwkA:
undetectable		 4uinH-3dwkA:
16.56
4uinL-3dwkA:
16.45
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.
3f6a HYDROLASE, NUDIX
FAMILY

(Clostridium
perfringens) 		PF00293
(NUDIX) 		5 GLU A  52
GLY A  32
GLY A  54
LEU A 120
PRO A 112
 None
 1.22A 4uinH-3f6aA:
undetectable
4uinL-3f6aA:
undetectable		 4uinH-3f6aA:
17.11
4uinL-3f6aA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		5 TRP A 312
HIS A 472
THR A 467
GLY A 279
GLY A 303
 None
 1.27A 4uinH-3hoaA:
undetectable
4uinL-3hoaA:
undetectable		 4uinH-3hoaA:
16.67
4uinL-3hoaA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		5 ARG 1 415
PHE 1 417
GLY 1 412
LEU 1 300
PRO 1 299
 None
 1.44A 4uinH-3i9v1:
undetectable
4uinL-3i9v1:
undetectable		 4uinH-3i9v1:
20.54
4uinL-3i9v1:
18.00
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
TRP A  45
SER A  57
PHE A 102
 None
 0.40A 4uinH-3iu3A:
26.7
4uinL-3iu3A:
17.7		 4uinH-3iu3A:
74.09
4uinL-3iu3A:
29.61
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.
3lwa SECRETED
THIOL-DISULFIDE
ISOMERASE

(Corynebacterium
glutamicum) 		PF00578
(AhpC-TSA) 		5 THR A 159
GLY A 165
GLY A  38
LEU A  61
PRO A  62
 None
 1.37A 4uinH-3lwaA:
undetectable
4uinL-3lwaA:
undetectable		 4uinH-3lwaA:
22.37
4uinL-3lwaA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		5 HIS A 291
THR A 289
GLU A 138
GLY A 331
GLY A 147
 None
 0.91A 4uinH-3muuA:
4.4
4uinL-3muuA:
3.2		 4uinH-3muuA:
16.51
4uinL-3muuA:
14.78
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.
3mvd REGULATOR OF
CHROMOSOME
CONDENSATION

(Drosophila
melanogaster) 		PF00415
(RCC1) 		5 TRP K 150
SER K 132
GLY K 151
GLY K 203
LEU K 190
 None
 1.35A 4uinH-3mvdK:
undetectable
4uinL-3mvdK:
undetectable		 4uinH-3mvdK:
19.42
4uinL-3mvdK:
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.
3nre ALDOSE 1-EPIMERASE

(Escherichia
coli) 		PF01263
(Aldose_epim) 		5 TRP A 147
THR A 130
SER A 281
GLY A  86
PRO A  49
 None
 1.26A 4uinH-3nreA:
undetectable
4uinL-3nreA:
undetectable		 4uinH-3nreA:
19.67
4uinL-3nreA:
19.08
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TRP A  99
THR A 170
GLY A 145
LEU A 152
PRO A 149
 None
 1.46A 4uinH-3ogrA:
undetectable
4uinL-3ogrA:
undetectable		 4uinH-3ogrA:
12.70
4uinL-3ogrA:
12.87
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.
3pi7 NADH OXIDOREDUCTASE

(Mesorhizobium
loti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 318
GLY A 314
ARG A 310
LEU A 179
PRO A 149
 None
 1.24A 4uinH-3pi7A:
undetectable
4uinL-3pi7A:
undetectable		 4uinH-3pi7A:
23.90
4uinL-3pi7A:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqz PUTATIVE
UNCHARACTERIZED
PROTEIN YJIK

(Escherichia
coli) 		PF06977
(SdiA-regulated) 		5 TRP A 204
SER A 197
PHE A 206
GLY A 272
LEU A 270
 None
 1.14A 4uinH-3qqzA:
undetectable
4uinL-3qqzA:
undetectable		 4uinH-3qqzA:
22.89
4uinL-3qqzA:
22.75
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 TRP A 582
THR A 516
GLY A 585
GLY A 526
LEU A 524
 None
 1.29A 4uinH-3thcA:
undetectable
4uinL-3thcA:
undetectable		 4uinH-3thcA:
16.41
4uinL-3thcA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 THR B 313
GLU B 330
ARG B 329
PHE B 605
LEU B 700
 None
 1.49A 4uinH-3u44B:
undetectable
4uinL-3u44B:
undetectable		 4uinH-3u44B:
10.95
4uinL-3u44B:
10.86
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 HIS A  95
THR A 232
GLU A 109
GLY A 110
PHE A 224
 SO4  A 502 (-4.6A)
SO4  A 502 (-3.3A)
None
None
None
 1.48A 4uinH-3v39A:
undetectable
4uinL-3v39A:
undetectable		 4uinH-3v39A:
19.62
4uinL-3v39A:
18.82
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.
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
 1.28A 4uinH-4cmrA:
undetectable
4uinL-4cmrA:
undetectable		 4uinH-4cmrA:
16.52
4uinL-4cmrA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gyi RIO2 KINASE

(Chaetomium
thermophilum) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		5 HIS A 185
THR A 186
SER A 183
GLY A  79
GLY A 149
 EDO  A 403 (-4.1A)
None
EDO  A 404 ( 4.7A)
None
None
 1.25A 4uinH-4gyiA:
undetectable
4uinL-4gyiA:
undetectable		 4uinH-4gyiA:
19.90
4uinL-4gyiA:
17.68
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.
4gyi RIO2 KINASE

(Chaetomium
thermophilum) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		5 HIS A 185
THR A 186
SER A 183
GLY A  80
GLY A 149
 EDO  A 403 (-4.1A)
None
EDO  A 404 ( 4.7A)
None
None
 1.41A 4uinH-4gyiA:
undetectable
4uinL-4gyiA:
undetectable		 4uinH-4gyiA:
19.90
4uinL-4gyiA:
17.68
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.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		5 THR A 213
GLY A 266
ARG A 264
PHE A 226
PRO A 224
 None
 1.21A 4uinH-4gz8A:
undetectable
4uinL-4gz8A:
undetectable		 4uinH-4gz8A:
17.97
4uinL-4gz8A:
17.45
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.
4he4 YELLOW FLUORESCENT
PROTEIN

(Phialidium sp.
SL-2003) 		PF01353
(GFP) 		5 THR A  59
SER A  58
GLY A 136
PHE A 128
GLY A 100
 None
 1.45A 4uinH-4he4A:
undetectable
4uinL-4he4A:
undetectable		 4uinH-4he4A:
23.64
4uinL-4he4A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 GLU A  50
GLY A  67
GLY A 213
LEU A 218
PRO A 217
 None
 0.90A 4uinH-4hjwA:
undetectable
4uinL-4hjwA:
undetectable		 4uinH-4hjwA:
19.95
4uinL-4hjwA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TRP A  99
THR A 170
GLY A 145
LEU A 152
PRO A 149
 None
 1.45A 4uinH-4iugA:
undetectable
4uinL-4iugA:
undetectable		 4uinH-4iugA:
12.87
4uinL-4iugA:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9o BETA-2-MICROGLOBULIN

(Danio rerio) 		PF07654
(C1-set) 		5 TRP A  60
HIS A  31
SER A  28
GLY A  59
PRO A  33
 None
 1.46A 4uinH-4m9oA:
11.6
4uinL-4m9oA:
12.0		 4uinH-4m9oA:
15.24
4uinL-4m9oA:
18.72
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.
4o8v ALGINATE
BIOSYNTHESIS PROTEIN
ALGJ

(Pseudomonas
putida) 		PF16822
(ALGX) 		5 HIS A 192
THR A 191
SER A  91
GLY A 316
PRO A 345
 None
 1.36A 4uinH-4o8vA:
undetectable
4uinL-4o8vA:
undetectable		 4uinH-4o8vA:
19.43
4uinL-4o8vA:
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		5 THR A 364
SER A 311
GLY A 360
GLY A 327
LEU A 325
 None
 1.40A 4uinH-4ofwA:
undetectable
4uinL-4ofwA:
undetectable		 4uinH-4ofwA:
21.00
4uinL-4ofwA:
19.00
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 THR A 124
SER A 117
GLY A  50
PHE A   7
GLY A  13
 NAG  A 903 (-3.9A)
NAG  A 903 ( 4.6A)
None
None
None
 1.36A 4uinH-4qi7A:
2.8
4uinL-4qi7A:
2.6		 4uinH-4qi7A:
15.47
4uinL-4qi7A:
15.08
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 HIS A  87
SER A 227
GLY A 217
PHE A  13
GLY A  68
 None
 1.36A 4uinH-4s13A:
undetectable
4uinL-4s13A:
undetectable		 4uinH-4s13A:
17.86
4uinL-4s13A:
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.
4tl3 ANABAENA SENSORY
RHODOPSIN

(Nostoc sp. PCC
7120) 		PF01036
(Bac_rhodopsin) 		5 THR A  90
SER A  86
GLY A 220
GLY A  31
PRO A  33
 None
 1.45A 4uinH-4tl3A:
undetectable
4uinL-4tl3A:
undetectable		 4uinH-4tl3A:
20.24
4uinL-4tl3A:
17.95
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 TRP B 309
THR B 307
GLY B 267
ARG B 209
LEU B 235
 None
 1.37A 4uinH-4tqoB:
undetectable
4uinL-4tqoB:
undetectable		 4uinH-4tqoB:
16.90
4uinL-4tqoB:
16.34
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.
4xwi 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF02348
(CTP_transf_3) 		5 THR A  78
SER A  76
GLY A 188
GLY A 101
PRO A  10
 None
 1.49A 4uinH-4xwiA:
undetectable
4uinL-4xwiA:
undetectable		 4uinH-4xwiA:
21.38
4uinL-4xwiA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		5 HIS A  90
SER A 231
GLY A 221
PHE A  12
GLY A  72
 None
4LU  A 603 (-2.9A)
None
None
None
 1.33A 4uinH-4zadA:
undetectable
4uinL-4zadA:
undetectable		 4uinH-4zadA:
16.41
4uinL-4zadA:
17.43
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.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		5 HIS A 497
GLU A 420
GLY A 546
GLY A 423
PRO A 462
 None
 1.26A 4uinH-4zdaA:
undetectable
4uinL-4zdaA:
undetectable		 4uinH-4zdaA:
14.47
4uinL-4zdaA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4uinH-4zyoA:
undetectable
4uinL-4zyoA:
undetectable		 4uinH-4zyoA:
20.48
4uinL-4zyoA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6u AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF12897
(Aminotran_MocR) 		5 TRP A 217
THR A 183
GLY A 180
ARG A 248
LEU A 203
 None
 1.47A 4uinH-5c6uA:
undetectable
4uinL-5c6uA:
undetectable		 4uinH-5c6uA:
21.18
4uinL-5c6uA:
18.12
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.
5ck0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 TRP A 343
GLY A 212
ARG A 213
LEU A 201
PRO A 202
 None
 1.36A 4uinH-5ck0A:
undetectable
4uinL-5ck0A:
undetectable		 4uinH-5ck0A:
17.83
4uinL-5ck0A:
16.91
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
TRP H  47
THR H  50
PHE H 100
PRO L  96
 None
 0.83A 4uinH-5dd5H:
24.7
4uinL-5dd5H:
17.2		 4uinH-5dd5H:
51.28
4uinL-5dd5H:
24.28
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) 		6 TRP A  33
HIS A  35
TRP A  47
GLU A  99
GLY A 101
PHE A 105
 None
 0.42A 4uinH-5ebwA:
23.3
4uinL-5ebwA:
15.2		 4uinH-5ebwA:
78.83
4uinL-5ebwA:
27.54
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.
5flj QUERCETINASE QUED

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		5 THR A   7
SER A  13
GLU A  47
GLY A  46
GLY A  20
 None
 1.43A 4uinH-5fljA:
undetectable
4uinL-5fljA:
undetectable		 4uinH-5fljA:
23.01
4uinL-5fljA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 HIS A 281
THR A 283
GLU A 301
GLY A 147
GLY A  80
 SIN  A 601 (-4.3A)
None
None
None
FAD  A 602 (-3.9A)
 1.38A 4uinH-5glgA:
undetectable
4uinL-5glgA:
undetectable		 4uinH-5glgA:
19.91
4uinL-5glgA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 251
GLY A 245
ARG A 244
PHE A 231
GLY A 198
 None
 1.28A 4uinH-5hqlA:
undetectable
4uinL-5hqlA:
undetectable		 4uinH-5hqlA:
18.66
4uinL-5hqlA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TRP A  99
THR A 170
GLY A 145
LEU A 152
PRO A 149
 None
 1.45A 4uinH-5ihrA:
undetectable
4uinL-5ihrA:
undetectable		 4uinH-5ihrA:
12.43
4uinL-5ihrA:
12.95
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.
5imt INTERMEDILYSIN

(Streptococcus
intermedius) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 HIS A 425
GLY A 485
ARG A 432
PHE A 433
GLY A 459
 None
 1.27A 4uinH-5imtA:
undetectable
4uinL-5imtA:
undetectable		 4uinH-5imtA:
17.92
4uinL-5imtA:
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.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 THR A 356
SER A 357
PHE A 334
GLY A 202
LEU A 325
 None
 1.41A 4uinH-5jkjA:
undetectable
4uinL-5jkjA:
undetectable		 4uinH-5jkjA:
20.59
4uinL-5jkjA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 5 THR H 301
SER H 183
GLY H 122
GLY H 276
LEU H 128
 MG  H 401 (-3.6A)
None
None
None
None
 1.47A 4uinH-5mgyH:
undetectable
4uinL-5mgyH:
undetectable		 4uinH-5mgyH:
19.10
4uinL-5mgyH:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN

(Homo sapiens) 		PF00023
(Ank)
PF00225
(Kinesin)
PF12796
(Ank_2) 		5 THR C 343
SER C 489
GLY C 554
ARG C 549
PHE C 552
 None
 1.08A 4uinH-5mioC:
undetectable
4uinL-5mioC:
undetectable		 4uinH-5mioC:
17.00
4uinL-5mioC:
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.
5t38 EVDMO1

(Micromonospora
carbonacea) 		PF13847
(Methyltransf_31) 		5 THR A  78
SER A  79
GLY A  54
PHE A  48
GLY A 151
 None
 1.42A 4uinH-5t38A:
undetectable
4uinL-5t38A:
undetectable		 4uinH-5t38A:
21.69
4uinL-5t38A:
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 5 HIS A 939
GLU A 938
PHE A 935
GLY A 955
PRO A 953
 None
 1.41A 4uinH-5u30A:
undetectable
4uinL-5u30A:
undetectable		 4uinH-5u30A:
11.34
4uinL-5u30A:
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.
5vj7 FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		PF10418
(DHODB_Fe-S_bind) 		5 HIS B 220
GLU B 113
GLY B 110
GLY B  31
PRO B 249
 FAD  B 301 (-3.5A)
FAD  B 301 (-3.3A)
None
None
FAD  B 301 ( 4.0A)
 1.31A 4uinH-5vj7B:
undetectable
4uinL-5vj7B:
undetectable		 4uinH-5vj7B:
19.56
4uinL-5vj7B:
18.67
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		5 HIS A  54
THR A  65
SER A  61
GLY A 275
PRO A 277
 None
 1.46A 4uinH-5vprA:
undetectable
4uinL-5vprA:
undetectable		 4uinH-5vprA:
18.61
4uinL-5vprA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 HIS A 257
SER A 305
GLU A 270
GLY A 142
GLY A 277
 FUM  A 702 (-3.9A)
None
FUM  A 702 (-4.7A)
None
None
 1.49A 4uinH-5xmjA:
undetectable
4uinL-5xmjA:
undetectable		 4uinH-5xmjA:
undetectable
4uinL-5xmjA:
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 HIS A 257
THR A 259
GLU A 270
GLY A 142
GLY A  50
 FUM  A 702 (-3.9A)
None
FUM  A 702 (-4.7A)
None
FAD  A 701 (-4.8A)
 1.47A 4uinH-5xmjA:
undetectable
4uinL-5xmjA:
undetectable		 4uinH-5xmjA:
undetectable
4uinL-5xmjA:
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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		5 TRP A1507
GLY A1506
GLY A1480
LEU A1512
PRO A1513
 None
 1.27A 4uinH-5xsyA:
undetectable
4uinL-5xsyA:
undetectable		 4uinH-5xsyA:
8.19
4uinL-5xsyA:
7.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 5 HIS A  69
THR A  48
GLU A  70
GLY A  44
GLY A 158
 ZN  A 404 (-3.2A)
GOL  A 402 (-2.4A)
ZN  A 404 (-2.9A)
None
None
 1.30A 4uinH-5yatA:
undetectable
4uinL-5yatA:
undetectable		 4uinH-5yatA:
undetectable
4uinL-5yatA:
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.
6amw TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		5 TRP A 118
THR A  98
SER A  94
LEU A  17
PRO A  18
 None
 1.34A 4uinH-6amwA:
undetectable
4uinL-6amwA:
undetectable		 4uinH-6amwA:
23.81
4uinL-6amwA:
22.90
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 THR A 874
GLY A 932
ARG A 933
GLY A 750
PRO A 752
 None
 1.47A 4uinH-6etzA:
6.3
4uinL-6etzA:
undetectable		 4uinH-6etzA:
undetectable
4uinL-6etzA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 THR A 969
GLY A 931
ARG A 933
GLY A 750
PRO A 752
 None
 1.31A 4uinH-6etzA:
6.3
4uinL-6etzA:
undetectable		 4uinH-6etzA:
undetectable
4uinL-6etzA:
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.
6ffj -

(-) 		no annotation 5 HIS A  35
TRP A  47
GLU A  99
GLY A 490
PRO A 495
 None
 1.03A 4uinH-6ffjA:
21.9
4uinL-6ffjA:
20.7		 4uinH-6ffjA:
undetectable
4uinL-6ffjA:
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.
6ffj -

(-) 		no annotation 5 HIS A  35
TRP A  47
GLY A 490
LEU A 493
PRO A 495
 None
 0.77A 4uinH-6ffjA:
21.9
4uinL-6ffjA:
20.7		 4uinH-6ffjA:
undetectable
4uinL-6ffjA:
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 SER A 457
ARG A  40
PHE A  33
GLY A 432
LEU A 434
 None
 1.24A 4uinH-6fhvA:
2.1
4uinL-6fhvA:
2.8		 4uinH-6fhvA:
undetectable
4uinL-6fhvA:
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.
6fj4 ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		no annotation 5 GLU A 916
GLY A 836
PHE A 913
LEU A 843
PRO A 901
 None
 1.32A 4uinH-6fj4A:
undetectable
4uinL-6fj4A:
undetectable		 4uinH-6fj4A:
undetectable
4uinL-6fj4A:
undetectable