SIMILAR PATTERNS OF AMINO ACIDS FOR 4I1R_A_LZUA801

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 LEU A 138
VAL A  86
ALA A 243
PHE A 240
LEU A  18
 None
 1.08A 4i1rA-1a27A:
5.2		 4i1rA-1a27A:
21.76
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.
1d2i PROTEIN (RESTRICTION
ENDONUCLEASE BGLII)

(Bacillus
subtilis) 		PF09195
(Endonuc-BglII) 		5 VAL A 126
VAL A  92
LEU A  15
ARG A 166
LEU A  27
 None
 0.95A 4i1rA-1d2iA:
0.9		 4i1rA-1d2iA:
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.
1dj0 PSEUDOURIDINE
SYNTHASE I

(Escherichia
coli) 		PF01416
(PseudoU_synth_1) 		5 LEU A 211
VAL A 214
ALA A 152
LEU A 228
LEU A 227
 None
 1.10A 4i1rA-1dj0A:
undetectable		 4i1rA-1dj0A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		5 VAL A 112
VAL A  94
GLU A  20
PHE A  21
LEU A  24
 None
None
None
HEC  A 131 ( 4.0A)
None
 0.98A 4i1rA-1gqaA:
undetectable		 4i1rA-1gqaA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB

(Thermotoga
maritima) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 VAL A  33
ALA A  68
LEU A  55
LEU A 175
LEU A  51
 None
 1.19A 4i1rA-1in8A:
undetectable		 4i1rA-1in8A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		5 VAL A 323
ALA A 118
LEU A 135
LEU A 136
LEU A  84
 None
 1.16A 4i1rA-1jctA:
undetectable		 4i1rA-1jctA:
23.19
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.
1jhe LEXA REPRESSOR

(Escherichia
coli) 		PF00717
(Peptidase_S24) 		5 LEU A  76
VAL A 100
ALA A 109
LEU A 131
LEU A 130
 None
 1.18A 4i1rA-1jheA:
undetectable		 4i1rA-1jheA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 VAL A 201
ALA A 193
GLU A 196
LEU A 235
ARG A 293
 None
 1.16A 4i1rA-1kbvA:
undetectable		 4i1rA-1kbvA:
20.93
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 VAL A   9
LEU A  11
LYS A  33
VAL A  35
ALA A  71
 None
 1.07A 4i1rA-1nffA:
4.9		 4i1rA-1nffA:
22.28
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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		5 LEU A  87
VAL A  84
LEU A  97
LEU A  96
LEU A 135
 None
 1.11A 4i1rA-1oaaA:
4.2		 4i1rA-1oaaA:
23.77
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		5 LEU A 411
ALA A 295
LEU A 301
LEU A 302
LEU A 361
 None
 1.01A 4i1rA-1qfxA:
undetectable		 4i1rA-1qfxA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlc POSTSYNAPTIC DENSITY
PROTEIN 95

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 LEU A 206
LYS A 211
VAL A 191
ALA A 200
LEU A 232
 None
 1.21A 4i1rA-1qlcA:
undetectable		 4i1rA-1qlcA:
14.17
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.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		5 LEU A  30
LYS A   1
VAL A   4
ALA A  13
LEU A 249
 None
 0.85A 4i1rA-1r1nA:
undetectable		 4i1rA-1r1nA:
21.74
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 LEU A 216
VAL A 213
ALA A 166
LEU A 222
LEU A 221
 None
 1.13A 4i1rA-1smlA:
undetectable		 4i1rA-1smlA:
22.62
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.
1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)

(Acetobacter
aceti) 		PF00731
(AIRC) 		5 LEU A  44
VAL A  24
ALA A 144
LEU A 162
LEU A 158
 None
 1.09A 4i1rA-1u11A:
4.4		 4i1rA-1u11A:
20.00
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.
1u2v ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc) 		5 VAL D 110
ALA D  23
GLU D  20
PHE D  19
LEU D  17
 None
 0.73A 4i1rA-1u2vD:
undetectable		 4i1rA-1u2vD:
21.62
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 VAL A 425
ALA A 449
GLU A 452
LEU A 455
LEU A 456
 None
 0.96A 4i1rA-1ufaA:
undetectable		 4i1rA-1ufaA:
21.11
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.
1w15 SYNAPTOTAGMIN IV

(Rattus
norvegicus) 		PF00168
(C2) 		5 VAL A 376
VAL A 329
LEU A 292
LEU A 291
LEU A 295
 None
 1.18A 4i1rA-1w15A:
4.3		 4i1rA-1w15A:
17.79
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.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 VAL A1160
LEU A1108
VAL A1138
ALA A1127
LEU A1152
 None
 1.17A 4i1rA-1wv2A:
undetectable		 4i1rA-1wv2A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 VAL A  91
LEU A 191
ALA A  76
LEU A  82
LEU A  83
 None
 1.18A 4i1rA-1ybfA:
undetectable		 4i1rA-1ybfA:
23.02
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.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 VAL A 144
VAL A 158
PHE A 165
LEU A 167
LEU A 168
 None
 1.06A 4i1rA-1ys7A:
4.7		 4i1rA-1ys7A:
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A   7
ALA A 118
LEU A 122
LEU A 121
LEU A 278
 None
 1.16A 4i1rA-2a8xA:
2.7		 4i1rA-2a8xA:
22.11
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.
2b5e PROTEIN
DISULFIDE-ISOMERASE

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 LEU A 330
LYS A 341
ALA A 334
GLU A 337
PHE A 335
 None
 1.19A 4i1rA-2b5eA:
undetectable		 4i1rA-2b5eA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpw HYPOTHETICAL PROTEIN
TTHA0179

(Thermus
thermophilus) 		PF12804
(NTP_transf_3) 		5 LEU A 148
VAL A 102
ALA A  90
LEU A 151
LEU A 150
 None
 1.15A 4i1rA-2dpwA:
undetectable		 4i1rA-2dpwA:
21.74
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.
2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 501
VAL A 478
ALA A 491
LEU A 754
LEU A 757
 None
 0.91A 4i1rA-2h5gA:
undetectable		 4i1rA-2h5gA:
23.88
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.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C

(Saccharomyces
cerevisiae) 		PF16796
(Microtub_bd) 		5 VAL A 570
VAL A 552
ALA A 465
LEU A 437
LEU A 460
 None
 1.12A 4i1rA-2o0aA:
undetectable		 4i1rA-2o0aA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1t ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90) 		5 LEU A 627
LYS A 633
ALA A 714
PHE A 718
MET A 697
 None
 1.13A 4i1rA-2o1tA:
undetectable		 4i1rA-2o1tA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1v ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 LEU A 627
LYS A 633
ALA A 714
PHE A 718
MET A 697
 None
 1.14A 4i1rA-2o1vA:
undetectable		 4i1rA-2o1vA:
20.00
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.
2o69 IRON-UTILIZATION
PERIPLASMIC PROTEIN

(Haemophilus
influenzae) 		PF01547
(SBP_bac_1) 		5 LEU A  30
LYS A   1
VAL A   4
ALA A  13
LEU A 249
 None
 0.86A 4i1rA-2o69A:
2.2		 4i1rA-2o69A:
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.
2ojq PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF13949
(ALIX_LYPXL_bnd) 		5 VAL A 503
VAL A 498
LEU A 443
LEU A 444
LEU A 684
 None
 1.14A 4i1rA-2ojqA:
undetectable		 4i1rA-2ojqA:
23.85
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.
2pl3 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX10

(Homo sapiens) 		PF00270
(DEAD) 		5 VAL A 195
VAL A 220
ALA A 224
GLU A 223
LEU A 153
 None
None
None
MG  A 301 ( 3.0A)
EOH  A 400 (-4.7A)
 1.06A 4i1rA-2pl3A:
undetectable		 4i1rA-2pl3A:
21.72
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 VAL A  26
VAL A 280
ALA A 299
LEU A 305
LEU A  15
 None
 1.12A 4i1rA-2wuqA:
undetectable		 4i1rA-2wuqA:
22.95
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.
3bkx SAM-DEPENDENT
METHYLTRANSFERASE

(Lactobacillus
paracasei) 		PF13649
(Methyltransf_25) 		5 ALA A 174
LEU A 180
LEU A 181
LEU A 254
MET A 257
 None
 1.08A 4i1rA-3bkxA:
undetectable		 4i1rA-3bkxA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dci ARYLESTERASE

(Agrobacterium
fabrum) 		PF13472
(Lipase_GDSL_2) 		5 VAL A 114
ALA A   6
LEU A 129
LEU A 128
LEU A  87
 None
 1.18A 4i1rA-3dciA:
4.1		 4i1rA-3dciA:
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.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 VAL A 195
LEU A 169
VAL A 135
ALA A 144
LEU A 150
 None
 1.12A 4i1rA-3enqA:
undetectable		 4i1rA-3enqA:
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 LEU A  79
VAL A  30
ALA A  93
LEU A 102
LEU A  71
 None
 1.20A 4i1rA-3euaA:
4.3		 4i1rA-3euaA:
23.19
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.
3h2b SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 VAL A 233
LEU A 194
ALA A 165
LEU A 247
LEU A 177
 None
 1.14A 4i1rA-3h2bA:
undetectable		 4i1rA-3h2bA:
21.28
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 VAL A 223
ALA A 155
LEU A 210
LEU A 209
LEU A  55
 None
 1.10A 4i1rA-3h6eA:
undetectable		 4i1rA-3h6eA:
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.
3ic1 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LYS A 102
ALA A 111
GLU A 113
LEU A   8
LEU A 128
 None
 1.19A 4i1rA-3ic1A:
2.0		 4i1rA-3ic1A:
21.96
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.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		5 VAL A  95
LEU A  78
VAL A   9
LEU A  84
LEU A  62
 None
NAD  A 358 (-4.1A)
None
None
None
 1.08A 4i1rA-3m2tA:
3.5		 4i1rA-3m2tA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		6 VAL A 117
ALA A 132
PHE A 131
LEU A 176
LEU A 178
LEU A 162
 None
 1.47A 4i1rA-3mybA:
undetectable		 4i1rA-3mybA:
21.79
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.
3myx UNCHARACTERIZED
PROTEIN PSPTO_0244

(Pseudomonas
syringae group
genomosp. 3) 		PF05899
(Cupin_3) 		5 VAL A  69
LEU A 129
VAL A  93
PHE A 233
LEU A 166
 None
 1.12A 4i1rA-3myxA:
undetectable		 4i1rA-3myxA:
19.74
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.
3nk4 ZONA PELLUCIDA 3

(Gallus gallus) 		PF00100
(Zona_pellucida)
no annotation 		5 LEU A 297
VAL C 372
ALA A 212
GLU A 213
PHE A 184
 None
 1.11A 4i1rA-3nk4A:
undetectable		 4i1rA-3nk4A:
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		5 VAL A 343
ALA A 138
LEU A 155
LEU A 156
LEU A  88
 None
 1.09A 4i1rA-3nxlA:
undetectable		 4i1rA-3nxlA:
21.58
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		5 VAL A 339
ALA A 134
LEU A 151
LEU A 152
LEU A  84
 None
 1.15A 4i1rA-3p0wA:
undetectable		 4i1rA-3p0wA:
20.87
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.
3pss QNR

(Aeromonas
hydrophila) 		PF00805
(Pentapeptide)
PF13599
(Pentapeptide_4) 		5 VAL A 191
VAL A 171
ALA A 154
LEU A 193
LEU A 158
 None
 1.19A 4i1rA-3pssA:
undetectable		 4i1rA-3pssA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 209
VAL A  51
ALA A  43
GLU A  47
LEU A 515
 None
 1.03A 4i1rA-3redA:
undetectable		 4i1rA-3redA:
23.02
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		5 VAL A 135
LEU A 301
ALA A 290
LEU A  45
MET A  49
 None
 1.06A 4i1rA-3rpwA:
undetectable		 4i1rA-3rpwA:
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		5 LEU A  32
VAL A  73
ALA A 123
LEU A 130
LEU A 133
 None
 1.20A 4i1rA-3tb4A:
3.3		 4i1rA-3tb4A:
22.31
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A   8
LEU A  34
ALA A  18
LEU A  23
LEU A  24
 None
 1.09A 4i1rA-3tl2A:
2.7		 4i1rA-3tl2A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 LEU A  89
LYS A  63
VAL A  65
ALA A  76
LEU A  81
 None
 1.06A 4i1rA-3tr6A:
undetectable		 4i1rA-3tr6A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		7 VAL A 344
LEU A 346
LYS A 379
VAL A 381
ALA A 394
GLU A 397
PHE A 398
 None
 0.80A 4i1rA-3v4oA:
30.6		 4i1rA-3v4oA:
94.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		8 VAL A 344
LEU A 346
VAL A 381
ALA A 394
GLU A 397
PHE A 398
LEU A 400
LEU A 401
 None
 0.80A 4i1rA-3v4oA:
30.6		 4i1rA-3v4oA:
94.29
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 VAL A 201
ALA A 193
GLU A 196
LEU A 235
ARG A 293
 None
 1.21A 4i1rA-3zbmA:
undetectable		 4i1rA-3zbmA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3q ALANINE RACEMASE 1

(Staphylococcus
aureus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 209
VAL A 237
ALA A 205
LEU A  28
LEU A 241
 None
None
None
None
SO4  A1383 (-4.9A)
 1.19A 4i1rA-4a3qA:
undetectable		 4i1rA-4a3qA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE

(Homo sapiens) 		PF02668
(TauD)
PF06155
(DUF971) 		5 VAL A 237
ALA A 313
GLU A 316
PHE A 317
LEU A 320
 None
 0.98A 4i1rA-4bhiA:
undetectable		 4i1rA-4bhiA:
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 VAL A 618
PHE A 719
LEU A 737
LEU A 738
LEU A 614
 None
 1.11A 4i1rA-4cakA:
undetectable		 4i1rA-4cakA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe1 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI

(Thermosynechococcus
elongatus) 		PF02605
(PsaL) 		5 LEU L  79
ALA L 132
PHE L 136
LEU L 138
LEU L 139
 None
None
None
CLA  L1004 ( 4.6A)
CLA  L1004 (-4.3A)
 0.97A 4i1rA-4fe1L:
undetectable		 4i1rA-4fe1L:
18.97
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ALA A 227
GLU A 230
PHE A 231
LEU A 233
LEU A 234
 None
 0.74A 4i1rA-4gaxA:
undetectable		 4i1rA-4gaxA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 VAL A 431
ALA A 153
LEU A 159
LEU A 160
MET A 125
 None
 1.19A 4i1rA-4gl3A:
undetectable		 4i1rA-4gl3A:
20.97
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.
4hn8 D-GLUCARATE
DEHYDRATASE

(Pseudomonas
mendocina) 		PF13378
(MR_MLE_C) 		5 VAL A 340
ALA A 135
LEU A 152
LEU A 153
LEU A  86
 None
 1.19A 4i1rA-4hn8A:
undetectable		 4i1rA-4hn8A:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		7 VAL A 344
LEU A 346
LYS A 379
VAL A 381
ALA A 394
GLU A 397
PHE A 398
 None
 0.64A 4i1rA-4i1pA:
44.1		 4i1rA-4i1pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		8 VAL A 344
LEU A 346
VAL A 381
ALA A 394
GLU A 397
PHE A 398
LEU A 400
LEU A 401
 None
 0.78A 4i1rA-4i1pA:
44.1		 4i1rA-4i1pA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 VAL A 207
LYS A 148
VAL A 181
LEU A 198
LEU A 202
 None
 1.18A 4i1rA-4iilA:
4.9		 4i1rA-4iilA:
21.36
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.
4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE

(Sorghum bicolor) 		PF02458
(Transferase) 		5 LEU A 418
ALA A 430
LEU A 244
LEU A 427
LEU A 383
 None
 1.11A 4i1rA-4ke4A:
undetectable		 4i1rA-4ke4A:
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.
4kf8 NUP188

(Thermothelomyces
thermophila) 		no annotation 5 VAL A1522
ALA A1550
LEU A1605
LEU A1606
LEU A1556
 None
 1.13A 4i1rA-4kf8A:
undetectable		 4i1rA-4kf8A:
23.11
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.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 185
PHE A 316
LEU A 315
LEU A 319
LEU A 172
 None
 1.13A 4i1rA-4kq8A:
undetectable		 4i1rA-4kq8A:
22.76
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.
4kvg AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER
1-INTERACTING
PROTEIN

(Mus musculus) 		PF00169
(PH)
PF00788
(RA) 		5 LEU B 210
VAL B 206
PHE B 260
LEU B 259
LEU B 247
 None
 0.97A 4i1rA-4kvgB:
undetectable		 4i1rA-4kvgB:
22.70
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.
4ntd THIOREDOXIN
REDUCTASE

(Streptomyces
clavuligerus) 		PF07992
(Pyr_redox_2) 		5 VAL A 176
LEU A 178
ALA A 162
LEU A 168
LEU A 169
 None
None
None
CL  A 404 ( 4.7A)
None
 1.20A 4i1rA-4ntdA:
2.4		 4i1rA-4ntdA:
22.65
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.
4ofq PUTATIVE CELL
SURFACE PROTEIN

(Streptococcus
pyogenes) 		PF16364
(Antigen_C) 		5 VAL A1215
LEU A1181
VAL A1274
PHE A1199
LEU A1252
 None
 1.14A 4i1rA-4ofqA:
undetectable		 4i1rA-4ofqA:
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		5 LYS A 103
ALA A 112
GLU A 114
LEU A   9
LEU A  34
 None
 1.22A 4i1rA-4op4A:
undetectable		 4i1rA-4op4A:
21.37
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.
4run ODORANT-BINDING
PROTEIN 2A

(Homo sapiens) 		PF00061
(Lipocalin) 		5 LEU A 113
ALA A 124
GLU A 127
PHE A 128
LEU A 131
 None
 0.87A 4i1rA-4runA:
undetectable		 4i1rA-4runA:
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 VAL A 132
LYS A 135
ALA A 111
LEU A  91
LEU A  95
 None
 1.18A 4i1rA-4rv1A:
undetectable		 4i1rA-4rv1A:
23.16
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.
4yrh ALPHA-TUBULIN
N-ACETYLTRANSFERASE
1

(Danio rerio) 		PF05301
(Acetyltransf_16) 		5 LEU A  45
VAL A  41
PHE A  90
LEU A  75
LEU A   7
 None
 1.17A 4i1rA-4yrhA:
undetectable		 4i1rA-4yrhA:
20.26
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.
4yxx DTOR_6X35L

(synthetic
construct) 		no annotation 5 VAL A  47
LEU A  45
VAL A  55
ALA A  27
LEU A  34
 None
 1.12A 4i1rA-4yxxA:
undetectable		 4i1rA-4yxxA:
25.00
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.
4yxx DTOR_6X35L

(synthetic
construct) 		no annotation 5 VAL A 117
LEU A 115
VAL A 125
ALA A  97
LEU A 104
 None
 1.09A 4i1rA-4yxxA:
undetectable		 4i1rA-4yxxA:
25.00
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.
4yxx DTOR_6X35L

(synthetic
construct) 		no annotation 5 VAL A 152
LEU A 150
VAL A 160
ALA A 132
LEU A 139
 None
 1.07A 4i1rA-4yxxA:
undetectable		 4i1rA-4yxxA:
25.00
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.
4z1o PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		5 VAL A  92
LEU A 122
ALA A  15
LEU A  50
LEU A  47
 None
 1.16A 4i1rA-4z1oA:
undetectable		 4i1rA-4z1oA:
18.54
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.
5c50 AUTOPHAGY-RELATED
PROTEIN 101

(Homo sapiens) 		PF07855
(ATG101) 		5 LEU A 148
VAL A 144
ALA A  20
GLU A  19
PHE A  62
 None
 1.00A 4i1rA-5c50A:
undetectable		 4i1rA-5c50A:
17.89
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 209
VAL A  51
ALA A  43
GLU A  47
LEU A 515
 None
 1.14A 4i1rA-5eb5A:
undetectable		 4i1rA-5eb5A:
21.02
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.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		5 PHE A 108
LEU A 103
LEU A 102
LEU A 129
MET A 132
 None
 1.11A 4i1rA-5gyyA:
undetectable		 4i1rA-5gyyA:
22.81
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.
5h45 DNA REPAIR PROTEIN
RADA

(Thermus
thermophilus) 		PF13541
(ChlI) 		5 LEU A 414
VAL A 418
ALA A 356
LEU A 411
LEU A 368
 None
 1.20A 4i1rA-5h45A:
undetectable		 4i1rA-5h45A:
19.74
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.
5ijh XENOTROPIC AND
POLYTROPIC
RETROVIRUS RECEPTOR
1

(Homo sapiens) 		PF03105
(SPX) 		5 LEU A  87
ALA A 134
GLU A 137
PHE A 138
LEU A 140
 None
 1.09A 4i1rA-5ijhA:
undetectable		 4i1rA-5ijhA:
21.88
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 VAL A 105
LYS A 107
LEU A  27
LEU A  28
LEU A  13
 None
 1.16A 4i1rA-5j7xA:
2.7		 4i1rA-5j7xA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 LEU A 171
VAL A 387
ALA A 194
LEU A 191
LEU A 358
 None
 1.17A 4i1rA-5jzdA:
undetectable		 4i1rA-5jzdA:
21.09
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.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A  78
VAL A  38
ALA A 103
LEU A 112
LEU A 154
 None
 1.00A 4i1rA-5lhkA:
undetectable		 4i1rA-5lhkA:
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 LEU L  94
VAL L  90
ALA L  43
PHE L  44
LEU L   7
 None
 1.17A 4i1rA-5lnkL:
undetectable		 4i1rA-5lnkL:
21.31
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.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 5 VAL A 426
VAL A 464
LEU A 424
LEU A 472
MET A 504
 None
 1.22A 4i1rA-5nxkA:
undetectable		 4i1rA-5nxkA:
11.41
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.
5o16 AMBC

(Sorangium
cellulosum) 		no annotation 5 VAL A 116
LEU A  36
VAL A 103
ALA A  74
LEU A  69
 None
 1.11A 4i1rA-5o16A:
undetectable		 4i1rA-5o16A:
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 VAL A 512
PHE A 318
LEU A 345
LEU A 346
LEU A 240
 None
 1.20A 4i1rA-5t6oA:
undetectable		 4i1rA-5t6oA:
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.
5tzy FREE FATTY ACID
RECEPTOR
1,ENDOLYSIN,FREE
FATTY ACID RECEPTOR
1

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A 134
ALA A  85
PHE A  88
LEU A  90
LEU A 171
 7OS  A2403 (-4.6A)
None
None
None
MK6  A2402 (-4.7A)
 1.09A 4i1rA-5tzyA:
undetectable		 4i1rA-5tzyA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		5 VAL A 312
ALA A 236
LEU A 319
LEU A 316
LEU A 207
 None
 1.18A 4i1rA-5vf4A:
undetectable		 4i1rA-5vf4A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 VAL A 136
ALA A  82
LEU A  85
LEU A  92
LEU A 195
 None
 1.05A 4i1rA-5vm1A:
undetectable		 4i1rA-5vm1A:
22.33
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.
5vyv UPF0502 PROTEIN YCEH

(Escherichia
coli) 		PF04337
(DUF480) 		5 VAL A 100
LEU A 107
ALA A  10
LEU A  16
LEU A  17
 None
 1.06A 4i1rA-5vyvA:
undetectable		 4i1rA-5vyvA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 5 LEU A 347
VAL A 326
ALA A 336
LEU A 343
LEU A 305
 GOL  A 609 (-4.4A)
None
None
None
None
 1.05A 4i1rA-5wm4A:
2.3		 4i1rA-5wm4A:
10.44
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		5 LEU A 207
ALA A 970
GLU A 972
PHE A 974
ARG A 979
 None
 1.22A 4i1rA-5xeiA:
undetectable		 4i1rA-5xeiA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6n HELICASE DOMAIN FROM
GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 VAL A 533
ALA A 490
LEU A 270
LEU A 271
ARG A 529
 None
 1.18A 4i1rA-5y6nA:
undetectable		 4i1rA-5y6nA:
16.55
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 5 VAL A 190
LEU A 188
LYS A 194
ALA A 318
LEU A 216
 None
 1.04A 4i1rA-5yatA:
3.3		 4i1rA-5yatA:
11.87
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.
6bbo APOBEC3H

(Homo sapiens) 		no annotation 5 LEU A 126
VAL A 133
ALA A  89
LEU A 104
LEU A  80
 None
 1.04A 4i1rA-6bboA:
2.4		 4i1rA-6bboA:
11.33
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.
6ckv BCL-2-RELATED
OVARIAN KILLER
PROTEIN

(Homo sapiens) 		no annotation 5 LEU A  63
VAL A  59
ALA A  33
GLU A  37
LEU A  71
 None
 1.07A 4i1rA-6ckvA:
undetectable		 4i1rA-6ckvA:
12.71