SIMILAR PATTERNS OF AMINO ACIDS FOR 3T3Q_D_9PLD501

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.
1anu COHESIN-2

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 PHE A  35
PHE A 119
PHE A  96
ILE A   5
PHE A  37
 None
 1.07A 3t3qD-1anuA:
undetectable		 3t3qD-1anuA:
16.50
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.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 PHE A 129
PHE A 127
ALA A 111
THR A 107
ILE A  60
 None
None
None
None
NAD  A 380 (-3.9A)
 1.22A 3t3qD-1bxkA:
0.0		 3t3qD-1bxkA:
20.65
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.
1f9k ACIDIC LECTIN

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		6 PHE A  75
PHE A  73
PHE A 180
ALA A 179
ILE A 138
PHE A 124
 None
 1.33A 3t3qD-1f9kA:
undetectable		 3t3qD-1f9kA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iz1 LYSR-TYPE REGULATORY
PROTEIN

(Cupriavidus
necator) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 PHE A 202
ALA A 229
THR A 233
ILE A 254
PHE A 256
 None
 1.47A 3t3qD-1iz1A:
0.0		 3t3qD-1iz1A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k5c ENDOPOLYGALACTURONAS
E

(Chondrostereum
purpureum) 		PF00295
(Glyco_hydro_28) 		5 PHE A  77
PHE A  51
PHE A  61
ILE A 136
PHE A 112
 None
 1.22A 3t3qD-1k5cA:
undetectable		 3t3qD-1k5cA:
20.08
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.
1k9o ALASERPIN

(Manduca sexta) 		PF00079
(Serpin) 		5 VAL I  92
ASN I  89
PHE I  85
ILE I 376
PHE I  48
 None
 1.16A 3t3qD-1k9oI:
0.0		 3t3qD-1k9oI:
22.38
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.
1m93 SERINE PROTEINASE
INHIBITOR 2

(Cowpox virus) 		PF00079
(Serpin) 		5 VAL B 198
PHE C 318
THR B 291
ILE B 284
PHE B 238
 None
 0.93A 3t3qD-1m93B:
undetectable		 3t3qD-1m93B:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n47 ISOLECTIN B4

(Vicia villosa) 		PF00139
(Lectin_legB) 		5 PHE A  73
PHE A  71
PHE A 180
ILE A 138
PHE A 124
 None
 1.35A 3t3qD-1n47A:
undetectable		 3t3qD-1n47A:
20.25
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.
1rro RAT ONCOMODULIN

(Rattus rattus) 		PF13499
(EF-hand_7) 		5 PHE A  29
VAL A 106
PHE A  30
ILE A   2
PHE A  70
 None
 1.43A 3t3qD-1rroA:
undetectable		 3t3qD-1rroA:
12.53
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 338
PHE A 342
VAL A 258
ILE A 278
PHE A 279
 None
 1.48A 3t3qD-1s9iA:
undetectable		 3t3qD-1s9iA:
22.74
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.
1ttx ONCOMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 PHE A  30
VAL A 107
PHE A  31
ILE A  51
PHE A  67
 None
 1.07A 3t3qD-1ttxA:
undetectable		 3t3qD-1ttxA:
12.61
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 PHE A 423
VAL A 396
ALA A 369
ILE A 391
PHE A 436
 None
 1.49A 3t3qD-1w18A:
undetectable		 3t3qD-1w18A:
21.42
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.
1xuq SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 190
PHE A 186
ALA A 195
ILE A 106
PHE A 116
 None
 1.36A 3t3qD-1xuqA:
undetectable		 3t3qD-1xuqA:
16.63
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 VAL A  96
ASN A  75
ALA A  77
THR A  54
ILE A   9
 None
DGL  A1301 (-4.1A)
None
None
None
 1.37A 3t3qD-1zuwA:
undetectable		 3t3qD-1zuwA:
20.77
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.
2ccl CELLULOSOMAL
SCAFFOLDING PROTEIN
A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 PHE A  40
PHE A 136
PHE A  27
ILE A  54
PHE A  82
 None
 1.41A 3t3qD-2cclA:
undetectable		 3t3qD-2cclA:
16.74
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.
2d5r CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 PHE A 188
PHE A 189
ALA A 137
THR A 133
ILE A  74
 None
 1.41A 3t3qD-2d5rA:
undetectable		 3t3qD-2d5rA:
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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 PHE A  74
PHE A  72
PHE A 179
ILE A 137
PHE A 123
 None
 1.36A 3t3qD-2e7tA:
undetectable		 3t3qD-2e7tA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efe SMALL GTP-BINDING
PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF00071
(Ras) 		5 PHE B  90
VAL B 105
PHE B 149
ALA B 142
PHE B  98
 None
 1.29A 3t3qD-2efeB:
undetectable		 3t3qD-2efeB:
16.74
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.
2fia ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 PHE A 126
PHE A 127
PHE A  81
ALA A  82
ILE A  88
 None
 1.23A 3t3qD-2fiaA:
undetectable		 3t3qD-2fiaA:
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.
2fu0 CYCLOPHILIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		5 PHE A  33
VAL A  92
PHE A 106
ILE A 136
PHE A  47
 None
 1.23A 3t3qD-2fu0A:
undetectable		 3t3qD-2fu0A:
15.85
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 PHE A 102
PHE A 222
PHE A 161
ALA A 190
ILE A 210
 None
 1.10A 3t3qD-2glfA:
undetectable		 3t3qD-2glfA:
22.02
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.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'

(Homo sapiens) 		PF03095
(PTPA) 		5 PHE A 238
VAL A 244
PHE A 253
ILE A 260
PHE A 268
 None
 1.43A 3t3qD-2ixmA:
undetectable		 3t3qD-2ixmA:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		7 PHE A 107
PHE A 111
VAL A 117
PHE A 118
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.55A 3t3qD-2pg6A:
64.4		 3t3qD-2pg6A:
98.74
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 PHE A 243
PHE A 197
ALA A 200
ILE A 205
PHE A 207
 None
 1.29A 3t3qD-2qzaA:
undetectable		 3t3qD-2qzaA:
22.00
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.
2r37 GLUTATHIONE
PEROXIDASE 3

(Homo sapiens) 		PF00255
(GSHPx) 		5 PHE A  99
VAL A  64
PHE A 148
ILE A  54
PHE A 135
 None
 1.23A 3t3qD-2r37A:
undetectable		 3t3qD-2r37A:
20.32
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.
2woo ATPASE GET3

(Schizosaccharomyces
pombe) 		PF02374
(ArsA_ATPase) 		5 PHE A 157
VAL A 212
PHE A 216
ILE A 136
PHE A 146
 None
 1.41A 3t3qD-2wooA:
undetectable		 3t3qD-2wooA:
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.
2woo ATPASE GET3

(Schizosaccharomyces
pombe) 		PF02374
(ArsA_ATPase) 		5 VAL A 212
PHE A 216
PHE A 129
ILE A 136
PHE A 146
 None
 1.15A 3t3qD-2wooA:
undetectable		 3t3qD-2wooA:
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.
2xbi THIOREDOXIN

(Schistosoma
mansoni) 		PF00085
(Thioredoxin) 		5 PHE A  55
PHE A  44
VAL A  98
ALA A  80
ILE A 106
 None
 1.42A 3t3qD-2xbiA:
undetectable		 3t3qD-2xbiA:
12.47
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		5 PHE A 382
ASN A 256
ALA A 265
THR A 268
ILE A 284
 None
 1.29A 3t3qD-2xsbA:
undetectable		 3t3qD-2xsbA:
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.
2ywo PROBABLE
THIOL-DISULFIDE
ISOMERASE/THIOREDOXI
N

(Thermus
thermophilus) 		PF00578
(AhpC-TSA) 		5 PHE A 121
PHE A 123
ALA A 111
ILE A  71
PHE A  40
 None
 1.40A 3t3qD-2ywoA:
undetectable		 3t3qD-2ywoA:
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 PHE A 220
PHE A 215
VAL A 236
ALA A 251
ILE A 280
 None
 1.47A 3t3qD-3e1tA:
undetectable		 3t3qD-3e1tA:
22.44
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.
3e9p PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF12134
(PRP8_domainIV) 		5 PHE A2005
PHE A1844
THR A1959
ILE A1934
PHE A1851
 None
 1.21A 3t3qD-3e9pA:
undetectable		 3t3qD-3e9pA:
18.75
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.
3h3h UNCHARACTERIZED
SNOAL-LIKE PROTEIN

(Burkholderia
thailandensis) 		PF12680
(SnoaL_2) 		5 PHE A 106
PHE A   8
ALA A   9
ILE A  90
PHE A 104
 None
 1.43A 3t3qD-3h3hA:
undetectable		 3t3qD-3h3hA:
13.80
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.
3hlm ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 PHE A 241
PHE A 291
ALA A 137
ILE A 168
PHE A 169
 None
 1.15A 3t3qD-3hlmA:
undetectable		 3t3qD-3hlmA:
23.03
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 PHE A 199
ASN A 105
PHE A 103
ALA A 104
PHE A 115
 None
 1.48A 3t3qD-3i6uA:
undetectable		 3t3qD-3i6uA:
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.
3iqx TAIL-ANCHORED
PROTEIN TARGETING
FACTOR GET3

(Chaetomium
thermophilum) 		PF02374
(ArsA_ATPase) 		5 PHE A 166
VAL A 224
PHE A 228
ILE A 153
PHE A 155
 None
 1.17A 3t3qD-3iqxA:
undetectable		 3t3qD-3iqxA:
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		5 VAL A 208
ALA A 163
THR A 112
ILE A  83
PHE A  79
 None
 1.10A 3t3qD-3k2wA:
undetectable		 3t3qD-3k2wA:
21.14
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.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 PHE A 272
PHE A 277
ALA A 217
THR A 220
ILE A 144
 None
 1.20A 3t3qD-3kgbA:
undetectable		 3t3qD-3kgbA:
23.33
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.
3ljf IRON SUPEROXIDE
DISMUTASE

(Pseudoalteromonas
haloplanktis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 VAL A 182
PHE A 178
ALA A 187
ILE A  96
PHE A 106
 None
 1.30A 3t3qD-3ljfA:
undetectable		 3t3qD-3ljfA:
17.14
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 PHE A 471
PHE A 474
PHE A 289
ILE A 550
PHE A 554
 None
 1.32A 3t3qD-3lvvA:
undetectable		 3t3qD-3lvvA:
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.
3muq UNCHARACTERIZED
CONSERVED PROTEIN

(Vibrio
parahaemolyticus) 		PF12849
(PBP_like_2) 		5 VAL A  77
ALA A  68
THR A  82
ILE A 223
PHE A  91
 None
 1.47A 3t3qD-3muqA:
undetectable		 3t3qD-3muqA:
18.55
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 5 PHE B 555
PHE B 603
VAL B 468
PHE B 557
ILE B 522
 None
 1.36A 3t3qD-3nr8B:
undetectable		 3t3qD-3nr8B:
21.14
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.
3o53 PROTEIN LRIM1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 PHE A 264
PHE A 257
ASN A 283
PHE A 280
THR A 275
 None
 1.46A 3t3qD-3o53A:
undetectable		 3t3qD-3o53A:
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		5 PHE A2005
PHE A1844
THR A1959
ILE A1934
PHE A1851
 None
 1.25A 3t3qD-3sbgA:
undetectable		 3t3qD-3sbgA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6o SULFATE
TRANSPORTER/ANTISIGM
A-FACTOR ANTAGONIST
STAS

(Planctopirus
limnophila) 		no annotation 5 VAL A  48
PHE A  81
ALA A  39
THR A  35
ILE A   4
 None
 1.10A 3t3qD-3t6oA:
undetectable		 3t3qD-3t6oA:
13.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 PHE A 108
PHE A 115
ALA A 298
THR A 302
ILE A 363
 None
None
CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 ( 3.9A)
 0.59A 3t3qD-3tk3A:
56.9		 3t3qD-3tk3A:
56.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 PHE A 108
PHE A 297
ALA A 298
THR A 302
ILE A 363
 None
CPZ  A 501 (-4.3A)
CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 ( 3.9A)
 1.03A 3t3qD-3tk3A:
56.9		 3t3qD-3tk3A:
56.39
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 PHE B2005
PHE B1844
THR B1959
ILE B1934
PHE B1851
 None
 1.15A 3t3qD-3zefB:
undetectable		 3t3qD-3zefB:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		5 PHE A  14
PHE A  21
VAL A  53
PHE A  23
PHE A 262
 None
 1.38A 3t3qD-4aweA:
undetectable		 3t3qD-4aweA:
20.40
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.
4czd PUTATIVE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY

(Desulfovibrio
desulfuricans) 		PF13404
(HTH_AsnC-type)
no annotation 		5 PHE B 158
VAL B  12
PHE B   5
ILE B  54
PHE A  79
 None
 1.26A 3t3qD-4czdB:
undetectable		 3t3qD-4czdB:
16.92
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.
4dag FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		PF00523
(Fusion_gly) 		5 PHE A 334
PHE A 276
ASN A 247
ALA A 249
ILE A 217
 None
 1.30A 3t3qD-4dagA:
undetectable		 3t3qD-4dagA:
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 PHE B 172
PHE B 139
ALA B 225
THR B 227
ILE B 100
 None
 1.45A 3t3qD-4dhiB:
undetectable		 3t3qD-4dhiB:
18.09
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.
4dm4 CELL DIVISION
CONTROL PROTEIN 73

(Saccharomyces
cerevisiae) 		PF05179
(CDC73_C) 		5 PHE A 110
ASN A  21
PHE A  25
ILE A   7
PHE A  82
 None
 1.37A 3t3qD-4dm4A:
undetectable		 3t3qD-4dm4A:
15.30
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.
4fch OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		5 PHE A 263
PHE A 280
VAL A 239
ILE A 230
PHE A 222
 None
 1.40A 3t3qD-4fchA:
undetectable		 3t3qD-4fchA:
17.72
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.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		5 PHE A 263
PHE A 280
VAL A 239
ILE A 230
PHE A 222
 None
 1.41A 3t3qD-4femA:
undetectable		 3t3qD-4femA:
22.38
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 PHE A 348
VAL A 364
PHE A 354
PHE A  98
PHE A 344
 None
 1.49A 3t3qD-4fzvA:
undetectable		 3t3qD-4fzvA:
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.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 PHE B 188
PHE B 189
ALA B 137
THR B 133
ILE B  74
 None
None
None
CL  B 304 ( 4.7A)
CL  B 304 (-4.3A)
 1.40A 3t3qD-4gmjB:
undetectable		 3t3qD-4gmjB:
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 ASN A 612
PHE A 609
ALA A 614
THR A 616
ILE A 627
 None
 1.36A 3t3qD-4l22A:
undetectable		 3t3qD-4l22A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 PHE A 450
ASN A 408
ALA A 410
ILE A 455
PHE A 462
 None
 1.24A 3t3qD-4oj5A:
undetectable		 3t3qD-4oj5A:
20.32
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 PHE D  16
PHE D   4
ALA D 239
THR D  32
PHE D  25
 None
 1.44A 3t3qD-4qiwD:
undetectable		 3t3qD-4qiwD:
19.91
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.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		5 PHE A 204
ASN A 213
PHE A 170
ILE A 258
PHE A 259
 None
 1.44A 3t3qD-4v33A:
undetectable		 3t3qD-4v33A:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 PHE A 599
PHE A 602
VAL A 257
PHE A 545
PHE A 595
 None
 1.30A 3t3qD-5az4A:
undetectable		 3t3qD-5az4A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 PHE A 124
PHE A 127
PHE A  98
ALA A  73
ILE A  94
 None
None
None
MLY  A  70 ( 3.8A)
None
 1.45A 3t3qD-5czwA:
undetectable		 3t3qD-5czwA:
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 PHE A 259
PHE A 226
ALA A 254
ILE A 523
PHE A 519
 None
 1.45A 3t3qD-5dxfA:
undetectable		 3t3qD-5dxfA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		6 PHE A 108
VAL A 114
PHE A 115
ALA A 298
THR A 302
ILE A 363
 None
HEM  A 501 (-3.5A)
None
HEM  A 501 ( 3.1A)
CPZ  A 502 ( 4.0A)
HEM  A 501 (-4.1A)
 0.93A 3t3qD-5e0eA:
51.8		 3t3qD-5e0eA:
56.78
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.
5gkm AT5G51070/K3K7_27

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 PHE A 176
PHE A  83
PHE A  80
ALA A  90
PHE A 168
 None
 1.44A 3t3qD-5gkmA:
undetectable		 3t3qD-5gkmA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gly GLYCOSIDE HYDROLASE
FAMILY 45 PROTEIN

(Thielavia
terrestris) 		PF02015
(Glyco_hydro_45) 		5 PHE A 183
PHE A  95
ALA A  74
THR A  76
ILE A  78
 None
 1.36A 3t3qD-5glyA:
undetectable		 3t3qD-5glyA:
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 PHE A 169
ASN A 647
ALA A 649
THR A 758
ILE A 388
 None
 1.45A 3t3qD-5jouA:
undetectable		 3t3qD-5jouA:
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.
5l1x HMPV F1 SUBUNIT

(Human
metapneumovirus) 		PF00523
(Fusion_gly) 		5 PHE B 334
PHE B 276
ASN B 247
ALA B 249
ILE B 217
 None
 1.45A 3t3qD-5l1xB:
undetectable		 3t3qD-5l1xB:
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 PHE A  69
ASN A 358
ALA A 356
ILE A  92
PHE A  59
 None
 1.44A 3t3qD-5livA:
28.7		 3t3qD-5livA:
25.71
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.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 PHE A 246
VAL A 279
PHE A 247
ILE A 151
PHE A 218
 None
 1.35A 3t3qD-5no5A:
undetectable		 3t3qD-5no5A:
8.86
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 PHE A 555
PHE A 603
VAL A 468
PHE A 557
ILE A 522
 None
 1.45A 3t3qD-5okoA:
undetectable		 3t3qD-5okoA:
23.03
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A 333
ALA A 364
THR A 366
ILE A 349
PHE A 407
 None
 1.26A 3t3qD-5vevA:
undetectable		 3t3qD-5vevA:
20.89
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 PHE A 210
VAL A 216
PHE A 218
ALA A 303
PHE A 251
 None
 1.18A 3t3qD-5w57A:
undetectable		 3t3qD-5w57A:
17.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 PHE A 108
PHE A 115
PHE A 297
ALA A 298
THR A 302
 9ZJ  A 502 (-4.4A)
9ZJ  A 502 (-4.7A)
9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
 0.54A 3t3qD-5wbgA:
56.6		 3t3qD-5wbgA:
66.25
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.
5x4s SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF16451
(Spike_NTD) 		5 PHE A 103
PHE A  83
ASN A 189
PHE A 187
ILE A 125
 None
 1.45A 3t3qD-5x4sA:
undetectable		 3t3qD-5x4sA:
19.33
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.
6b8a DNA-BINDING
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 281
PHE A 284
ALA A 146
THR A 148
ILE A 103
 None
 1.39A 3t3qD-6b8aA:
undetectable		 3t3qD-6b8aA:
10.59
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.
6dft -

(-) 		no annotation 5 PHE B 150
PHE B 146
ALA B  99
THR B  97
ILE B  75
 None
None
NAD  B 500 (-3.2A)
None
None
 1.00A 3t3qD-6dftB:
undetectable		 3t3qD-6dftB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 PHE A  19
ASN A 308
ALA A 306
ILE A  42
PHE A   9
 None
 1.46A 3t3qD-6f85A:
28.9		 3t3qD-6f85A:
9.45