SIMILAR PATTERNS OF AMINO ACIDS FOR 1I9J_H_TESH1010

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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TRP A  71
TYR A  91
GLY A 378
LEU A 377
PRO A 532
 NAG  A 553 (-4.6A)
None
None
None
NAG  A 553 (-4.3A)
 1.45A 1i9jH-1asoA:
undetectable
1i9jL-1asoA:
undetectable		 1i9jH-1asoA:
15.62
1i9jL-1asoA:
18.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i9i RECOMBINANT
MONOCLONAL
ANTI-TESTOSTERONE
FAB FRAGMENT HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		7 SER H  35
TRP H  47
SER H  50
VAL H  52
TYR H  58
GLY H 104
LEU H 105
 None
 0.31A 1i9jH-1i9iH:
31.5
1i9jL-1i9iH:
15.2		 1i9jH-1i9iH:
100.00
1i9jL-1i9iH:
28.10
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.
1lfp HYPOTHETICAL PROTEIN
AQ_1575

(Aquifex
aeolicus) 		PF01709
(Transcrip_reg) 		5 VAL A 130
TYR A  90
GLY A 122
LEU A 221
VAL A 207
 None
 1.44A 1i9jH-1lfpA:
undetectable
1i9jL-1lfpA:
undetectable		 1i9jH-1lfpA:
22.02
1i9jL-1lfpA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 SER A  29
SER A 131
TYR A 211
TYR A  67
VAL A 110
 None
 1.47A 1i9jH-1pciA:
undetectable
1i9jL-1pciA:
undetectable		 1i9jH-1pciA:
21.39
1i9jL-1pciA:
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.
1pq4 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		5 SER A 128
VAL A 102
GLU A 109
LEU A 106
VAL A 187
 None
 1.37A 1i9jH-1pq4A:
undetectable
1i9jL-1pq4A:
undetectable		 1i9jH-1pq4A:
21.23
1i9jL-1pq4A:
20.86
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 SER A 196
SER A 197
GLY A 139
LEU A 160
VAL A 221
 None
 1.38A 1i9jH-1v5bA:
undetectable
1i9jL-1v5bA:
undetectable		 1i9jH-1v5bA:
20.27
1i9jL-1v5bA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 VAL A 291
GLU A  90
GLY A  65
LEU A  79
PRO A 331
 None
 1.38A 1i9jH-1wdtA:
undetectable
1i9jL-1wdtA:
undetectable		 1i9jH-1wdtA:
15.15
1i9jL-1wdtA:
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.
1xq4 PROTEIN APAG

(Bordetella
pertussis) 		PF04379
(DUF525) 		5 VAL A  39
TYR A 105
TYR A  88
VAL A  51
PRO A  78
 None
 1.37A 1i9jH-1xq4A:
4.5
1i9jL-1xq4A:
4.3		 1i9jH-1xq4A:
19.91
1i9jL-1xq4A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z54 PROBABLE
THIOESTERASE

(Thermus
thermophilus) 		PF03061
(4HBT) 		5 VAL A  24
TYR A  28
GLY A  60
LEU A  59
VAL A  75
 None
 1.43A 1i9jH-1z54A:
undetectable
1i9jL-1z54A:
undetectable		 1i9jH-1z54A:
18.39
1i9jL-1z54A:
22.45
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.
2fbo VARIABLE
REGION-CONTAINING
CHITIN-BINDING
PROTEIN 3

(Branchiostoma
floridae) 		PF07686
(V-set) 		5 SER J 247
VAL J 230
GLU J 119
GLY J 121
LEU J 122
 None
 1.41A 1i9jH-2fboJ:
12.5
1i9jL-2fboJ:
5.4		 1i9jH-2fboJ:
20.22
1i9jL-2fboJ:
23.62
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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		5 SER A 262
VAL A 227
TYR A 301
TYR A 230
GLY A 196
 None
 1.10A 1i9jH-2ntbA:
undetectable
1i9jL-2ntbA:
undetectable		 1i9jH-2ntbA:
21.33
1i9jL-2ntbA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ol3 ALLOGENEIC H-2KBM8
MHC CLASS I MOLECULE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 VAL H  34
TYR H   7
TYR H 171
GLY H 175
LEU H 179
 None
 1.40A 1i9jH-2ol3H:
12.2
1i9jL-2ol3H:
12.6		 1i9jH-2ol3H:
22.81
1i9jL-2ol3H:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 VAL A  67
TYR A  69
GLY A 130
LEU A 446
VAL A 406
 None
 1.33A 1i9jH-2pajA:
undetectable
1i9jL-2pajA:
undetectable		 1i9jH-2pajA:
18.47
1i9jL-2pajA:
17.84
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.
2pw9 PUTATIVE FORMATE
DEHYDROGENASE
ACCESSORY PROTEIN

(Desulfotalea
psychrophila) 		PF02634
(FdhD-NarQ) 		5 VAL A  49
TYR A  35
GLY A  60
LEU A  62
VAL A  79
 None
 1.43A 1i9jH-2pw9A:
undetectable
1i9jL-2pw9A:
undetectable		 1i9jH-2pw9A:
19.42
1i9jL-2pw9A:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ab0 ANTIBODY SCFV
FRAGMENT, HEAVY
CHAIN
ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 SER B  35
TRP B  47
SER B  50
GLY B 100
PRO C  96
 None
 0.98A 1i9jH-3ab0B:
22.2
1i9jL-3ab0B:
14.4		 1i9jH-3ab0B:
58.02
1i9jL-3ab0B:
22.43
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		6 SER A  53
GLU A 492
TYR A  77
GLY A 494
LEU A 493
VAL A  63
 None
 1.44A 1i9jH-3e2dA:
undetectable
1i9jL-3e2dA:
undetectable		 1i9jH-3e2dA:
17.86
1i9jL-3e2dA:
19.96
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.
3ed4 ARYLSULFATASE

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 SER A 247
VAL A 241
TYR A 285
LEU A 252
VAL A  66
 None
 1.27A 1i9jH-3ed4A:
undetectable
1i9jL-3ed4A:
undetectable		 1i9jH-3ed4A:
18.47
1i9jL-3ed4A:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		5 SER A 488
GLU A 469
GLY A 436
LEU A 447
PRO A 444
 None
 1.35A 1i9jH-3fsnA:
undetectable
1i9jL-3fsnA:
undetectable		 1i9jH-3fsnA:
16.14
1i9jL-3fsnA:
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 SER A 472
VAL A 117
TYR A  80
GLY A 167
LEU A  74
 FAD  A1000 (-2.7A)
None
None
None
FAD  A1000 (-3.9A)
 1.27A 1i9jH-3gyxA:
undetectable
1i9jL-3gyxA:
undetectable		 1i9jH-3gyxA:
16.33
1i9jL-3gyxA:
15.11
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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 VAL A 273
TYR A 225
GLY A 215
VAL A 285
PRO A 223
 None
 1.22A 1i9jH-3h4iA:
undetectable
1i9jL-3h4iA:
undetectable		 1i9jH-3h4iA:
18.31
1i9jL-3h4iA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 VAL A 276
TYR A 225
GLY A 215
VAL A 285
PRO A 223
 U2F  A 547 (-4.0A)
None
None
None
None
 1.50A 1i9jH-3h4iA:
undetectable
1i9jL-3h4iA:
undetectable		 1i9jH-3h4iA:
18.31
1i9jL-3h4iA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iqd OCTOPINE
DEHYDROGENASE

(Pecten maximus) 		PF02317
(Octopine_DH) 		5 SER B  67
VAL B  65
GLY B 154
LEU B  46
VAL B  29
 None
 1.40A 1i9jH-3iqdB:
undetectable
1i9jL-3iqdB:
undetectable		 1i9jH-3iqdB:
20.90
1i9jL-3iqdB:
18.45
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.
3jr7 UNCHARACTERIZED EGV
FAMILY PROTEIN
COG1307

([Ruminococcus]
gnavus) 		PF02645
(DegV) 		5 SER A 282
SER A 285
TYR A 288
GLU A 143
GLY A 142
 None
PG6  A 299 ( 4.2A)
PG6  A 299 ( 3.8A)
None
None
 1.40A 1i9jH-3jr7A:
undetectable
1i9jL-3jr7A:
undetectable		 1i9jH-3jr7A:
20.26
1i9jL-3jr7A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 TRP A 420
TYR A 163
GLY A 161
VAL A 192
PRO A 188
 OPY  A1001 (-3.5A)
None
None
None
OPY  A1001 (-4.3A)
 1.33A 1i9jH-3n0tA:
undetectable
1i9jL-3n0tA:
undetectable		 1i9jH-3n0tA:
18.70
1i9jL-3n0tA:
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.
3p83 RIBONUCLEASE HII

(Archaeoglobus
fulgidus) 		PF01351
(RNase_HII) 		5 VAL D 123
TYR D  99
GLU D 115
GLY D 119
PRO D  95
 None
 0.90A 1i9jH-3p83D:
undetectable
1i9jL-3p83D:
undetectable		 1i9jH-3p83D:
21.74
1i9jL-3p83D:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr1 PROBABLE GTP-BINDING
PROTEIN ENGB

(Thermotoga
maritima) 		PF01926
(MMR_HSR1) 		5 TYR A  64
GLU A  25
GLY A  24
LEU A  22
VAL A   6
 None
 1.41A 1i9jH-3pr1A:
undetectable
1i9jL-3pr1A:
undetectable		 1i9jH-3pr1A:
22.36
1i9jL-3pr1A:
24.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q6g HEAVY CHAIN OF FAB
OF RHESUS MAB 2.5B

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H  35
TRP H  47
TYR H 100
GLY H 100
LEU H 100
 None
 0.86A 1i9jH-3q6gH:
25.8
1i9jL-3q6gH:
14.5		 1i9jH-3q6gH:
55.32
1i9jL-3q6gH:
27.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		5 VAL A  11
TYR A  16
GLY A 121
VAL A 412
PRO A  19
 None
 1.08A 1i9jH-3t02A:
undetectable
1i9jL-3t02A:
undetectable		 1i9jH-3t02A:
18.84
1i9jL-3t02A:
20.05
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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 SER B 134
VAL B  78
TYR B  76
GLU B 136
GLY B 167
 None
None
None
PLG  B 401 (-3.5A)
None
 1.34A 1i9jH-3wlxB:
undetectable
1i9jL-3wlxB:
undetectable		 1i9jH-3wlxB:
20.59
1i9jL-3wlxB:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		5 SER A  64
VAL A  93
GLY A  39
LEU A  61
VAL A  31
 None
 1.19A 1i9jH-3wvnA:
undetectable
1i9jL-3wvnA:
undetectable		 1i9jH-3wvnA:
18.78
1i9jL-3wvnA:
17.12
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		5 VAL A 391
GLY A  22
LEU A  23
VAL A 142
PRO A 251
 None
 1.34A 1i9jH-3wvsA:
undetectable
1i9jL-3wvsA:
undetectable		 1i9jH-3wvsA:
20.73
1i9jL-3wvsA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 SER B 510
GLU A 283
TYR A 313
GLY A 282
LEU A 264
 NAG  B3320 (-1.5A)
None
None
NAG  B3320 (-4.3A)
NAG  B3320 ( 3.1A)
 1.43A 1i9jH-4cakB:
2.7
1i9jL-4cakB:
2.3		 1i9jH-4cakB:
15.34
1i9jL-4cakB:
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.
4ccy CARBOXYLESTERASE
YBFK

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 SER B 130
TYR B 248
GLY B 273
LEU B 275
VAL B 166
 None
 1.34A 1i9jH-4ccyB:
undetectable
1i9jL-4ccyB:
undetectable		 1i9jH-4ccyB:
20.93
1i9jL-4ccyB:
21.48
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 TYR A  77
GLY A  87
LEU A 154
VAL A  58
PRO A  79
 None
 1.50A 1i9jH-4eb0A:
undetectable
1i9jL-4eb0A:
undetectable		 1i9jH-4eb0A:
25.82
1i9jL-4eb0A:
24.71
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 VAL A 118
TYR A  77
GLY A  87
LEU A 154
VAL A  58
 None
 1.35A 1i9jH-4eb0A:
undetectable
1i9jL-4eb0A:
undetectable		 1i9jH-4eb0A:
25.82
1i9jL-4eb0A:
24.71
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 SER A 463
TYR A 490
GLU A 309
TYR A 314
VAL A 487
 None
 1.30A 1i9jH-4fnvA:
undetectable
1i9jL-4fnvA:
undetectable		 1i9jH-4fnvA:
14.53
1i9jL-4fnvA:
17.76
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.
4kku MEMBRANE FUSION
PROTEIN

(Borreliella
burgdorferi) 		PF13533
(Biotin_lipoyl_2)
PF16576
(HlyD_D23) 		5 SER A 238
VAL A 289
GLY A 310
LEU A 311
VAL A 282
 None
 1.39A 1i9jH-4kkuA:
undetectable
1i9jL-4kkuA:
undetectable		 1i9jH-4kkuA:
22.08
1i9jL-4kkuA:
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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		5 TYR A 320
GLU A 197
GLY A 198
LEU A 201
VAL A 125
 None
 1.28A 1i9jH-4kl0A:
undetectable
1i9jL-4kl0A:
undetectable		 1i9jH-4kl0A:
19.79
1i9jL-4kl0A:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1g MURINE IGG2A A27D7
HEAVY CHAIN FAB
DOMAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H  35
TRP H  47
TYR H  58
GLY H 104
LEU H 105
 None
 0.78A 1i9jH-4m1gH:
28.8
1i9jL-4m1gH:
15.7		 1i9jH-4m1gH:
65.45
1i9jL-4m1gH:
25.85
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.
4mkn TRIOSEPHOSPHATE
ISOMERASE

(Chlamydomonas
reinhardtii) 		PF00121
(TIM) 		5 SER A 237
TRP A  12
TYR A  59
VAL A  51
PRO A  43
 None
 1.47A 1i9jH-4mknA:
undetectable
1i9jL-4mknA:
undetectable		 1i9jH-4mknA:
23.16
1i9jL-4mknA:
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		5 GLU A  70
GLY A  45
LEU A  69
VAL A 133
PRO A 134
 MG  A 401 ( 3.2A)
None
None
None
None
 1.26A 1i9jH-4r7oA:
undetectable
1i9jL-4r7oA:
undetectable		 1i9jH-4r7oA:
19.45
1i9jL-4r7oA:
20.61
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.
4ro5 SAT DOMAIN FROM CAZM

(Chaetomium
globosum) 		PF16073
(SAT) 		5 SER A 367
VAL A  23
GLY A 153
LEU A  18
VAL A 237
 None
None
None
None
GOL  A 402 ( 4.9A)
 1.41A 1i9jH-4ro5A:
undetectable
1i9jL-4ro5A:
undetectable		 1i9jH-4ro5A:
20.79
1i9jL-4ro5A:
19.90
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 315
TYR A 341
GLY A 183
LEU A 185
VAL A  42
 None
 1.23A 1i9jH-4w6zA:
undetectable
1i9jL-4w6zA:
undetectable		 1i9jH-4w6zA:
20.73
1i9jL-4w6zA:
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 SER A 293
SER A 318
TYR A 329
GLY A 296
VAL A 326
 None
None
EDO  A 607 ( 4.3A)
None
None
 1.44A 1i9jH-4z2aA:
2.2
1i9jL-4z2aA:
undetectable		 1i9jH-4z2aA:
15.88
1i9jL-4z2aA:
18.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c0n FAB CA33 HEAVY CHAIN

(Oryctolagus
cuniculus) 		no annotation 5 SER H  34
TRP H  46
TYR H  57
TYR H 103
GLY H 106
 None
 1.15A 1i9jH-5c0nH:
27.7
1i9jL-5c0nH:
15.4		 1i9jH-5c0nH:
72.44
1i9jL-5c0nH:
27.05
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 VAL B 322
TYR B 354
GLU B 253
GLY B 229
LEU B 301
 None
None
None
PLP  B 501 ( 3.4A)
PLP  B 501 ( 4.9A)
 1.18A 1i9jH-5ey5B:
undetectable
1i9jL-5ey5B:
undetectable		 1i9jH-5ey5B:
20.33
1i9jL-5ey5B:
19.43
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.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 VAL A 356
TYR A 549
GLY A 533
LEU A 535
VAL A 326
 None
 1.35A 1i9jH-5ez3A:
undetectable
1i9jL-5ez3A:
undetectable		 1i9jH-5ez3A:
17.38
1i9jL-5ez3A:
15.44
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.
5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		PF00180
(Iso_dh) 		5 SER A 283
GLU A 260
GLY A  70
LEU A 280
VAL A   7
 None
 1.38A 1i9jH-5griA:
undetectable
1i9jL-5griA:
undetectable		 1i9jH-5griA:
21.74
1i9jL-5griA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grv HOMO-SPECIFIC
DIABODY HEAVY CHAIN
HOMO-SPECIFIC
DIABODY LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 TRP L  46
SER L  49
TYR L  58
GLY L 100
PRO K 220
 None
 1.15A 1i9jH-5grvL:
22.1
1i9jL-5grvL:
14.6		 1i9jH-5grvL:
51.50
1i9jL-5grvL:
25.29
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 TRP A 316
VAL A  96
TYR A 106
GLY A 140
LEU A 139
 RB0  A 501 (-3.9A)
None
None
None
None
 1.22A 1i9jH-5iaiA:
undetectable
1i9jL-5iaiA:
undetectable		 1i9jH-5iaiA:
22.33
1i9jL-5iaiA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A  47
TYR A  43
GLU A  69
GLY A  70
LEU A  73
 None
UAH  A 402 (-4.7A)
None
None
None
 1.40A 1i9jH-5irpA:
undetectable
1i9jL-5irpA:
undetectable		 1i9jH-5irpA:
21.34
1i9jL-5irpA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0q INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 VAL A  91
TYR A  67
GLU A  89
LEU A 182
VAL A  65
 None
 1.24A 1i9jH-5m0qA:
undetectable
1i9jL-5m0qA:
undetectable		 1i9jH-5m0qA:
22.49
1i9jL-5m0qA:
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 TRP A 340
GLU A 264
GLY A 365
VAL A 192
PRO A 191
 None
EDO  A 902 (-3.1A)
None
None
None
 1.29A 1i9jH-5o0sA:
2.4
1i9jL-5o0sA:
2.3		 1i9jH-5o0sA:
14.36
1i9jL-5o0sA:
13.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vic FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H  35
TRP H  47
SER H  50
VAL H 100
TYR H  58
 None
 1.06A 1i9jH-5vicH:
27.6
1i9jL-5vicH:
14.9		 1i9jH-5vicH:
62.83
1i9jL-5vicH:
27.05
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.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 5 SER A 220
SER A 236
VAL A 238
GLY A 150
LEU A 152
 PHB  A 602 ( 4.6A)
PHB  A 602 ( 3.9A)
PHB  A 602 (-4.7A)
None
None
 1.42A 1i9jH-5w1eA:
undetectable
1i9jL-5w1eA:
undetectable		 1i9jH-5w1eA:
16.13
1i9jL-5w1eA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 SER A 507
VAL A 526
GLY A 118
LEU A 117
VAL A 518
 None
 1.29A 1i9jH-5wabA:
5.1
1i9jL-5wabA:
2.1		 1i9jH-5wabA:
21.08
1i9jL-5wabA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wq3 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		PF03641
(Lysine_decarbox) 		5 SER A 163
VAL A  71
GLY A 106
LEU A 129
VAL A 182
 None
 1.09A 1i9jH-5wq3A:
undetectable
1i9jL-5wq3A:
undetectable		 1i9jH-5wq3A:
21.93
1i9jL-5wq3A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 10
N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 5 GLU A 256
GLY B  85
LEU B  86
VAL A 325
PRO A 324
 None
 1.24A 1i9jH-6c9mA:
undetectable
1i9jL-6c9mA:
undetectable		 1i9jH-6c9mA:
14.08
1i9jL-6c9mA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cgm RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Bacillus
subtilis) 		no annotation 5 SER A 379
GLU A 384
TYR A 683
GLY A 651
LEU A 386
 None
 1.27A 1i9jH-6cgmA:
undetectable
1i9jL-6cgmA:
undetectable		 1i9jH-6cgmA:
14.29
1i9jL-6cgmA:
16.44