SIMILAR PATTERNS OF AMINO ACIDS FOR 4X1I_B_LOCB502_1

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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		3 SER M  36
ALA M  34
VAL M  33
 GOL  M 936 ( 4.5A)
None
None
 0.52A 4x1iA-1dwaM:
undetectable		 4x1iA-1dwaM:
23.12
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.
1etz FAB NC10.14 - HEAVY
CHAIN

(Mus musculus) 		no annotation 3 SER H 216
ALA H 211
VAL H 210
 None
 0.60A 4x1iA-1etzH:
undetectable		 4x1iA-1etzH:
19.32
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.
1f3l PROTEIN ARGININE
METHYLTRANSFERASE
PRMT3

(Rattus
norvegicus) 		PF06325
(PrmA) 		3 SER A 368
ALA A 366
VAL A 365
 None
 0.61A 4x1iA-1f3lA:
2.3		 4x1iA-1f3lA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ibg IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H 216
ALA H 211
VAL H 210
 None
 0.56A 4x1iA-1ibgH:
undetectable		 4x1iA-1ibgH:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1igt IGG2A INTACT
ANTIBODY - MAB231

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER B 216
ALA B 211
VAL B 210
 None
 0.58A 4x1iA-1igtB:
undetectable		 4x1iA-1igtB:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jtd BETA-LACTAMASE
INHIBITOR PROTEIN II

(Streptomyces
exfoliatus) 		PF13540
(RCC1_2) 		3 SER B  64
ALA B  40
VAL B  39
 None
 0.54A 4x1iA-1jtdB:
undetectable		 4x1iA-1jtdB:
20.96
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.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 3 SER A 194
ALA A 174
VAL A 173
 None
 0.51A 4x1iA-1nnwA:
undetectable		 4x1iA-1nnwA:
21.55
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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		3 SER A 130
ALA A 174
VAL A 185
 None
 0.52A 4x1iA-1p3cA:
undetectable		 4x1iA-1p3cA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		3 SER A 219
ALA A 221
VAL A 222
 None
 0.53A 4x1iA-1q9hA:
undetectable		 4x1iA-1q9hA:
21.71
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		3 SER A 224
ALA A 226
VAL A 227
 None
 0.57A 4x1iA-1qoxA:
2.9		 4x1iA-1qoxA:
20.96
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.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		3 SER A 226
ALA A 228
VAL A 229
 None
 0.38A 4x1iA-1spjA:
undetectable		 4x1iA-1spjA:
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.
1t8h YLMD PROTEIN
SEQUENCE HOMOLOGUE

(Geobacillus
stearothermophilus) 		PF02578
(Cu-oxidase_4) 		3 SER A 239
ALA A 174
VAL A 173
 None
 0.54A 4x1iA-1t8hA:
undetectable		 4x1iA-1t8hA:
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.
1uun MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		3 SER A  43
ALA A 143
VAL A 142
 None
 0.60A 4x1iA-1uunA:
undetectable		 4x1iA-1uunA:
20.81
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		3 SER A 106
ALA A 104
VAL A 103
 None
 0.57A 4x1iA-1wdtA:
undetectable		 4x1iA-1wdtA:
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.
1xov PLY PROTEIN

(Listeria virus
PSA) 		PF01520
(Amidase_3) 		3 SER A 185
ALA A 187
VAL A 188
 None
 0.43A 4x1iA-1xovA:
undetectable		 4x1iA-1xovA:
22.94
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.
1xww LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Homo sapiens) 		PF01451
(LMWPc) 		3 SER A  43
ALA A  45
VAL A  46
 None
 0.57A 4x1iA-1xwwA:
undetectable		 4x1iA-1xwwA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y30 HYPOTHETICAL PROTEIN
RV1155

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		3 SER A 137
ALA A  82
VAL A  81
 None
 0.44A 4x1iA-1y30A:
undetectable		 4x1iA-1y30A:
16.11
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.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		3 SER A  50
ALA A  48
VAL A  47
 None
 0.57A 4x1iA-1yqqA:
undetectable		 4x1iA-1yqqA:
21.38
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 SER A 304
ALA A 307
VAL A 308
 None
 0.61A 4x1iA-2ep5A:
2.2		 4x1iA-2ep5A:
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.
2fre NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF00881
(Nitroreductase) 		3 SER A  86
ALA A 160
VAL A 159
 None
 0.54A 4x1iA-2freA:
undetectable		 4x1iA-2freA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gju 252AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 3 SER A 194
ALA A 174
VAL A 173
 None
 0.54A 4x1iA-2gjuA:
undetectable		 4x1iA-2gjuA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4s GENERAL SECRETION
PATHWAY PROTEIN C

(Vibrio cholerae) 		no annotation 3 SER A 289
ALA A 263
VAL A 262
 None
 0.59A 4x1iA-2i4sA:
undetectable		 4x1iA-2i4sA:
16.77
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 3 SER B 457
ALA B 446
VAL B 445
 None
 0.55A 4x1iA-2j04B:
undetectable		 4x1iA-2j04B:
20.96
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.
2mfi 30S RIBOSOMAL
PROTEIN S1

(Escherichia
coli) 		PF00575
(S1) 		3 SER A  22
ALA A  71
VAL A  70
 None
 0.52A 4x1iA-2mfiA:
undetectable		 4x1iA-2mfiA:
13.68
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.
2p4u ACID PHOSPHATASE 1

(Mus musculus) 		PF01451
(LMWPc) 		3 SER A  44
ALA A  46
VAL A  47
 None
 0.61A 4x1iA-2p4uA:
undetectable		 4x1iA-2p4uA:
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.
2qz8 PROBABLE
TRANSCRIPTIONAL
REGULATORY PROTEIN

(Mycobacterium
tuberculosis) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		3 SER A 105
ALA A  72
VAL A  71
 None
 0.54A 4x1iA-2qz8A:
undetectable		 4x1iA-2qz8A:
16.67
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.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		3 SER A  43
ALA A 143
VAL A 142
 SER  A  43 ( 0.0A)
ALA  A 143 ( 0.0A)
VAL  A 142 ( 0.5A)
 0.56A 4x1iA-2v9uA:
undetectable		 4x1iA-2v9uA:
15.58
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.
2vp3 VP39

(Vaccinia virus) 		PF01358
(PARP_regulatory) 		3 SER A 173
ALA A 171
VAL A 170
 None
 0.59A 4x1iA-2vp3A:
undetectable		 4x1iA-2vp3A:
20.22
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 SER A 475
ALA A 390
VAL A 389
 None
 0.61A 4x1iA-2wbaA:
undetectable		 4x1iA-2wbaA:
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.
2xqy A13-D6.3 MONOCLONAL
ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER G 203
ALA G 198
VAL G 197
 None
 0.58A 4x1iA-2xqyG:
undetectable		 4x1iA-2xqyG:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		3 SER A 224
ALA A 226
VAL A 227
 None
 0.50A 4x1iA-2yg1A:
undetectable		 4x1iA-2yg1A:
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.
2yk1 FAB FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H  28
ALA H  94
VAL H  93
 None
None
NCT  H 300 (-4.3A)
 0.54A 4x1iA-2yk1H:
undetectable		 4x1iA-2yk1H:
19.30
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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Desulfovibrio
vulgaris) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		3 SER A  55
ALA A  72
VAL A  73
 None
 0.58A 4x1iA-2z1uA:
undetectable		 4x1iA-2z1uA:
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.
3b8k DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE

(Homo sapiens) 		PF00198
(2-oxoacid_dh) 		3 SER A 430
ALA A 428
VAL A 427
 None
 0.60A 4x1iA-3b8kA:
undetectable		 4x1iA-3b8kA:
19.78
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.
3bf8 ESTERASE YBFF

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		3 SER A  89
ALA A 111
VAL A 110
 MLA  A4892 (-3.2A)
None
None
 0.50A 4x1iA-3bf8A:
3.4		 4x1iA-3bf8A:
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.
3ds8 LIN2722 PROTEIN

(Listeria
innocua) 		PF06028
(DUF915) 		3 SER A 102
ALA A 129
VAL A 128
 SO4  A 255 (-2.2A)
None
None
 0.46A 4x1iA-3ds8A:
4.6		 4x1iA-3ds8A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 SER A 183
ALA A 185
VAL A 186
 None
 0.56A 4x1iA-3gd5A:
undetectable		 4x1iA-3gd5A:
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		3 SER A 245
ALA A 241
VAL A 240
 None
 0.46A 4x1iA-3hheA:
undetectable		 4x1iA-3hheA:
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.
3kb3 PROTEIN PHOSPHATASE
2C 16

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		3 SER B 399
ALA B 329
VAL B 330
 None
 0.58A 4x1iA-3kb3B:
undetectable		 4x1iA-3kb3B:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kpt COLLAGEN ADHESION
PROTEIN

(Bacillus cereus) 		no annotation 3 SER A 244
ALA A 169
VAL A 170
 None
 0.43A 4x1iA-3kptA:
undetectable		 4x1iA-3kptA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 SER A 157
ALA A 159
VAL A 160
 None
 0.58A 4x1iA-3ldrA:
undetectable		 4x1iA-3ldrA:
22.09
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.
3mp2 NON-STRUCTURAL
PROTEIN 3

(Alphacoronavirus
1) 		PF08715
(Viral_protease) 		3 SER A 148
ALA A 115
VAL A 116
 None
 0.56A 4x1iA-3mp2A:
undetectable		 4x1iA-3mp2A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 SER A 717
ALA A 719
VAL A 720
 None
 0.47A 4x1iA-3n6rA:
undetectable		 4x1iA-3n6rA:
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		3 SER A 241
ALA A 253
VAL A 252
 None
 0.60A 4x1iA-3njxA:
undetectable		 4x1iA-3njxA:
20.56
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.
3ria MOUSE MONOCLONAL FAB
FRAGMENT, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER F 212
ALA F 207
VAL F 206
 None
 0.56A 4x1iA-3riaF:
undetectable		 4x1iA-3riaF:
20.95
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.
3rih SHORT CHAIN
DEHYDROGENASE OR
REDUCTASE

(Mycobacteroides
abscessus) 		PF13561
(adh_short_C2) 		3 SER A  21
ALA A  47
VAL A  48
 None
 0.61A 4x1iA-3rihA:
6.0		 4x1iA-3rihA:
21.83
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.
3rkd CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		3 SER A 582
ALA A 580
VAL A 579
 None
 0.61A 4x1iA-3rkdA:
undetectable		 4x1iA-3rkdA:
19.61
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.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		3 SER A 130
ALA A 128
VAL A 127
 None
AMP  A 616 ( 3.8A)
None
 0.50A 4x1iA-3sgiA:
undetectable		 4x1iA-3sgiA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7y YOP PROTEINS
TRANSLOCATION
PROTEIN U

(Chlamydia
trachomatis) 		PF01312
(Bac_export_2) 		3 SER A 257
ALA A 269
VAL A 268
 None
 0.57A 4x1iA-3t7yA:
undetectable		 4x1iA-3t7yA:
12.42
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.
3twk FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE 1

(Arabidopsis
thaliana) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH) 		3 SER A 233
ALA A 226
VAL A 227
 None
 0.55A 4x1iA-3twkA:
undetectable		 4x1iA-3twkA:
21.86
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.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		3 SER C  73
ALA C  90
VAL C  91
 None
 0.59A 4x1iA-3vtiC:
undetectable		 4x1iA-3vtiC:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		3 SER A 173
ALA A 175
VAL A 176
 None
 0.53A 4x1iA-3vvlA:
2.7		 4x1iA-3vvlA:
22.46
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 SER A 498
ALA A 488
VAL A 487
 None
 0.53A 4x1iA-3w1gA:
undetectable		 4x1iA-3w1gA:
21.50
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.
3wfh MAB FAB H FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER A 207
ALA A 202
VAL A 201
 None
 0.61A 4x1iA-3wfhA:
undetectable		 4x1iA-3wfhA:
20.14
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.
3zjk BETA GLYCOSIDASE

(Thermus
thermophilus) 		PF00232
(Glyco_hydro_1) 		3 SER A  15
ALA A  13
VAL A  12
 GOL  A 902 ( 4.6A)
None
None
 0.56A 4x1iA-3zjkA:
3.4		 4x1iA-3zjkA:
25.45
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 3 SER A 391
ALA A 355
VAL A 354
 None
 0.50A 4x1iA-4a7kA:
undetectable		 4x1iA-4a7kA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a8j ELONGATOR COMPLEX
PROTEIN 5

(Saccharomyces
cerevisiae) 		PF10483
(Elong_Iki1) 		3 SER B 108
ALA B 133
VAL B 132
 None
 0.51A 4x1iA-4a8jB:
undetectable		 4x1iA-4a8jB:
20.53
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.
4chu HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ISCR

(Escherichia
coli) 		PF02082
(Rrf2) 		3 SER A  73
ALA A  75
VAL A  76
 None
 0.51A 4x1iA-4chuA:
undetectable		 4x1iA-4chuA:
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.
4ejs ELONGATOR COMPLEX
PROTEIN 5

(Saccharomyces
cerevisiae) 		PF10483
(Elong_Iki1) 		3 SER B 108
ALA B 133
VAL B 132
 None
 0.54A 4x1iA-4ejsB:
undetectable		 4x1iA-4ejsB:
19.14
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.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		3 SER A  11
ALA A  18
VAL A  19
 None
 0.61A 4x1iA-4er6A:
undetectable		 4x1iA-4er6A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffz DENV1-E111 FAB
FRAGMENT (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H 203
ALA H 198
VAL H 197
 None
 0.60A 4x1iA-4ffzH:
undetectable		 4x1iA-4ffzH:
19.46
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.
4gq9 CHIKUNGUNYA VIRUS
NEUTRALIZING
ANTIBODY 9.8B FAB
FRAGMENT HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H 208
ALA H 203
VAL H 202
 None
 0.60A 4x1iA-4gq9H:
undetectable		 4x1iA-4gq9H:
18.44
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		3 SER A 148
ALA A 145
VAL A 144
 None
 0.45A 4x1iA-4guzA:
undetectable		 4x1iA-4guzA:
22.12
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.
4hf0 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ISCR

(Escherichia
coli) 		PF02082
(Rrf2) 		3 SER A  73
ALA A  75
VAL A  76
 None
 0.51A 4x1iA-4hf0A:
undetectable		 4x1iA-4hf0A:
16.41
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.
4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Aneurinibacillus
thermoaerophilus) 		PF00483
(NTP_transferase) 		3 SER A  76
ALA A  78
VAL A  79
 None
 0.52A 4x1iA-4ho4A:
undetectable		 4x1iA-4ho4A:
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		3 SER A 265
ALA A 425
VAL A 426
 None
 0.60A 4x1iA-4i8qA:
undetectable		 4x1iA-4i8qA:
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		3 SER A  42
ALA A  44
VAL A  45
 None
 0.59A 4x1iA-4i9aA:
undetectable		 4x1iA-4i9aA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3e BOVINE ANTIBODY WITH
ULTRALONG CDR H3,
HEAVY CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H 203
ALA H 198
VAL H 197
 None
 0.59A 4x1iA-4k3eH:
undetectable		 4x1iA-4k3eH:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mki ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Caldanaerobacter
subterraneus) 		no annotation 3 SER B  44
ALA B  22
VAL B  21
 SO4  B 301 (-3.2A)
None
None
 0.49A 4x1iA-4mkiB:
undetectable		 4x1iA-4mkiB:
21.21
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.
4o8m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Actinobacillus
succinogenes) 		PF03480
(DctP) 		3 SER A  68
ALA A  32
VAL A  31
 None
 0.46A 4x1iA-4o8mA:
undetectable		 4x1iA-4o8mA:
23.18
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.
4ovt TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		3 SER A  67
ALA A  31
VAL A  30
 None
 0.49A 4x1iA-4ovtA:
undetectable		 4x1iA-4ovtA:
19.70
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		3 SER A 854
ALA A 852
VAL A 851
 None
 0.58A 4x1iA-4q2cA:
undetectable		 4x1iA-4q2cA:
18.30
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.
4q80 SERINE PROTEASE 57

(Homo sapiens) 		PF00089
(Trypsin) 		3 SER A  26
ALA A 117
VAL A 118
 None
 0.58A 4x1iA-4q80A:
undetectable		 4x1iA-4q80A:
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.
4qex ANTIBODY HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H 202
ALA H 197
VAL H 196
 None
 0.60A 4x1iA-4qexH:
undetectable		 4x1iA-4qexH:
20.59
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.
4sbv SOUTHERN BEAN MOSAIC
VIRUS COAT PROTEIN

(Southern bean
mosaic virus) 		PF00729
(Viral_coat) 		3 SER A 245
ALA A 114
VAL A 113
 None
 0.60A 4x1iA-4sbvA:
undetectable		 4x1iA-4sbvA:
19.26
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.
4wy9 PUTATIVE MCP-TYPE
SIGNAL TRANSDUCTION
PROTEIN

(Campylobacter
jejuni) 		PF02743
(dCache_1) 		3 SER A 308
ALA A 310
VAL A 311
 None
 0.52A 4x1iA-4wy9A:
undetectable		 4x1iA-4wy9A:
20.18
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.
4xl1 DELTA-LIKE PROTEIN

(Rattus
norvegicus) 		PF01414
(DSL)
PF07657
(MNNL) 		3 SER B 148
ALA B 150
VAL B 151
 None
 0.32A 4x1iA-4xl1B:
undetectable		 4x1iA-4xl1B:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xlw DELTA-LIKE PROTEIN

(Rattus
norvegicus) 		PF01414
(DSL)
PF07657
(MNNL) 		3 SER B 148
ALA B 150
VAL B 151
 None
 0.34A 4x1iA-4xlwB:
undetectable		 4x1iA-4xlwB:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y61 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		3 SER A 359
ALA A 402
VAL A 401
 None
 0.51A 4x1iA-4y61A:
undetectable		 4x1iA-4y61A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y61 SLIT AND NTRK-LIKE
PROTEIN 2

(Mus musculus) 		PF13855
(LRR_8) 		3 SER B  86
ALA B  88
VAL B  89
 None
 0.60A 4x1iA-4y61B:
undetectable		 4x1iA-4y61B:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfg RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		no annotation 3 SER B 349
ALA B 392
VAL B 391
 None
 0.56A 4x1iA-4yfgB:
undetectable		 4x1iA-4yfgB:
20.68
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 SER A 665
ALA A 717
VAL A 716
 None
 0.44A 4x1iA-4ypjA:
undetectable		 4x1iA-4ypjA:
20.39
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.
4zxb FAB 83-7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER A 208
ALA A 203
VAL A 202
 None
 0.60A 4x1iA-4zxbA:
undetectable		 4x1iA-4zxbA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		3 SER A 750
ALA A 752
VAL A 753
 None
 0.58A 4x1iA-5a42A:
undetectable		 4x1iA-5a42A:
14.34
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.
5bwj SENSORY TRANSDUCTION
HISTIDINE KINASE,
PUTATIVE

(Borreliella
burgdorferi) 		PF00497
(SBP_bac_3) 		3 SER A 214
ALA A 212
VAL A 211
 None
 0.59A 4x1iA-5bwjA:
undetectable		 4x1iA-5bwjA:
19.58
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.
5eqx DESMOGLEIN-3

(Homo sapiens) 		PF00028
(Cadherin) 		3 SER A 297
ALA A 299
VAL A 300
 None
 0.51A 4x1iA-5eqxA:
undetectable		 4x1iA-5eqxA:
22.49
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		3 SER E  35
ALA E  37
VAL E  38
 None
 0.58A 4x1iA-5fmgE:
undetectable		 4x1iA-5fmgE:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1s 50S RIBOSOMAL
PROTEIN L13,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00572
(Ribosomal_L13) 		3 SER L 164
ALA L 162
VAL L 161
 U  A1168 ( 3.4A)
None
None
 0.53A 4x1iA-5h1sL:
undetectable		 4x1iA-5h1sL:
16.93
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.
5hdb MONOCLONAL ANTIBODY
10E5 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER E 209
ALA E 204
VAL E 203
 None
 0.61A 4x1iA-5hdbE:
undetectable		 4x1iA-5hdbE:
18.00
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.
5i73 8B6 ANTIBODY, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER B 228
ALA B 223
VAL B 222
 None
 0.53A 4x1iA-5i73B:
undetectable		 4x1iA-5i73B:
18.28
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		3 SER A  25
ALA A 298
VAL A 297
 None
 0.56A 4x1iA-5l8sA:
4.0		 4x1iA-5l8sA:
22.48
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.
5m63 L CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER L  34
ALA L  36
VAL L  37
 None
 0.51A 4x1iA-5m63L:
undetectable		 4x1iA-5m63L:
20.23
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.
5mi0 MONOCLONAL ANTIBODY
9AD4

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER B 212
ALA B 207
VAL B 206
 None
 0.59A 4x1iA-5mi0B:
undetectable		 4x1iA-5mi0B:
19.46
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		3 SER O 407
ALA O 409
VAL O 410
 None
 0.61A 4x1iA-5n5zO:
undetectable		 4x1iA-5n5zO:
21.16
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.
5uhy ZV67 FAB CHAIN 2

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 SER H 216
ALA H 211
VAL H 210
 None
 0.59A 4x1iA-5uhyH:
undetectable		 4x1iA-5uhyH:
17.96
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 3 SER A  21
ALA A  19
VAL A  18
 None
 0.50A 4x1iA-5xgzA:
3.3		 4x1iA-5xgzA:
12.10
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 SER A 160
ALA A 162
VAL A 163
 None
 0.58A 4x1iA-5xh9A:
undetectable		 4x1iA-5xh9A:
22.19
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.
6aq7 POM6 FAB HEAVY CHAIN

(Mus musculus) 		no annotation 3 SER H 204
ALA H 199
VAL H 198
 None
 0.60A 4x1iA-6aq7H:
undetectable		 4x1iA-6aq7H:
11.46
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 3 SER A 389
ALA A 427
VAL A 426
 None
 0.57A 4x1iA-6eo5A:
undetectable		 4x1iA-6eo5A:
12.30
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71

(Danio rerio) 		no annotation 3 SER A 801
ALA A 813
VAL A 812
 None
 0.44A 4x1iA-6fq3A:
undetectable		 4x1iA-6fq3A:
13.21