SIMILAR PATTERNS OF AMINO ACIDS FOR 4JX1_B_CAMB502_0

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.
1a4k ANTIBODY FAB

(Mus musculus) 		no annotation 5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.21A 4jx1B-1a4kH:
undetectable		 4jx1B-1a4kH:
18.03
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.
1cly IGG FAB (HUMAN IGG1,
KAPPA)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 122
GLY H 118
THR H 217
VAL H 210
VAL H 219
 None
 1.15A 4jx1B-1clyH:
undetectable		 4jx1B-1clyH:
18.80
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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 GLY A  85
THR A  31
VAL A  64
ASP A  61
ILE A  65
 AP5  A 215 (-4.4A)
AP5  A 215 (-3.4A)
AP5  A 215 (-4.5A)
None
None
 1.04A 4jx1B-1e4yA:
undetectable		 4jx1B-1e4yA:
19.04
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		5 THR A 381
LEU A 385
GLY A 440
VAL C 238
ILE A 435
 None
 0.91A 4jx1B-1e6vA:
undetectable		 4jx1B-1e6vA:
22.03
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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 GLY A1080
THR A1077
VAL A1329
ILE A1060
VAL A1062
 None
 1.19A 4jx1B-1eg7A:
0.0		 4jx1B-1eg7A:
21.01
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.
1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanothermobacter
thermautotrophicus) 		PF00296
(Bac_luciferase) 		5 LEU A  80
THR A  53
VAL A  20
ILE A  16
VAL A  17
 None
 1.04A 4jx1B-1f07A:
undetectable		 4jx1B-1f07A:
24.13
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.
1fl5 ANTIBODY GERMLINE
PRECURSOR TO
ANTIBODY 28B4

(Homo sapiens) 		no annotation 5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.20A 4jx1B-1fl5H:
undetectable		 4jx1B-1fl5H:
19.22
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.
1i9r IMMUNOGLOBULIN H

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 127
GLY H 123
THR H 210
VAL H 203
VAL H 212
 None
 1.19A 4jx1B-1i9rH:
undetectable		 4jx1B-1i9rH:
17.83
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.
1lu4 SOLUBLE SECRETED
ANTIGEN MPT53

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 PHE A1031
TYR A1095
LEU A1005
GLY A1019
ILE A1061
 None
 1.12A 4jx1B-1lu4A:
undetectable		 4jx1B-1lu4A:
15.67
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 TYR A 497
THR A 472
LEU A 470
ASP A 333
ILE A 368
 None
 1.16A 4jx1B-1mt5A:
undetectable		 4jx1B-1mt5A:
22.58
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 PHE A 344
THR A 340
THR A 274
ILE A 352
VAL A 277
 None
 1.21A 4jx1B-1o2dA:
undetectable		 4jx1B-1o2dA:
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.
1pkq (8-18C5) CHIMERIC
FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE B 122
GLY B 118
THR B 205
VAL B 198
VAL B 207
 None
 1.20A 4jx1B-1pkqB:
undetectable		 4jx1B-1pkqB:
20.90
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.
1pyf IOLS PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 THR A  20
GLY A  17
VAL A  79
ILE A  81
VAL A  80
 None
 1.19A 4jx1B-1pyfA:
undetectable		 4jx1B-1pyfA:
24.88
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.
1s78 PERTUZUMAB FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE D 122
GLY D 118
THR D 205
VAL D 198
VAL D 207
 None
 1.16A 4jx1B-1s78D:
undetectable		 4jx1B-1s78D:
18.40
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.
1t70 PHOSPHATASE

(Deinococcus
radiodurans) 		PF13277
(YmdB) 		5 PHE A 144
GLY A 234
ASP A 146
ILE A  33
VAL A  34
 None
 1.14A 4jx1B-1t70A:
undetectable		 4jx1B-1t70A:
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		6 PHE A  98
THR A  63
LEU A  68
VAL A 116
ASP A  99
ILE A  94
 None
BRF  A1397 ( 4.7A)
None
None
None
None
 1.32A 4jx1B-1uuoA:
undetectable		 4jx1B-1uuoA:
22.88
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.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		5 PHE A 398
THR A 392
LEU A 436
VAL A 471
ILE A 461
 None
 1.19A 4jx1B-1uusA:
undetectable		 4jx1B-1uusA:
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		5 LEU A 135
GLY A 111
THR A  85
VAL A  89
VAL A  88
 None
 1.05A 4jx1B-1zlpA:
undetectable		 4jx1B-1zlpA:
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 LEU A 246
GLY A 241
VAL A 212
ILE A  61
VAL A  62
 None
 0.94A 4jx1B-2cdqA:
undetectable		 4jx1B-2cdqA:
22.53
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 PHE A 251
THR A 316
GLY A 352
VAL A 243
ILE A 247
 None
HEA  A 516 (-3.8A)
HEA  A 516 (-3.5A)
HEA  A 516 (-4.1A)
HEA  A 516 (-3.6A)
 1.18A 4jx1B-2eijA:
undetectable		 4jx1B-2eijA:
19.93
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.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 PHE A 386
TYR A 479
GLY A 220
THR A 426
ILE A 430
 None
FAD  A 525 (-4.5A)
None
None
None
 1.17A 4jx1B-2exrA:
undetectable		 4jx1B-2exrA:
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 PHE A 956
GLY A 865
VAL A 962
ILE A 960
VAL A 963
 None
 1.11A 4jx1B-2fgeA:
undetectable		 4jx1B-2fgeA:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		9 PHE A  87
TYR A  96
LEU A 244
GLY A 248
THR A 252
VAL A 295
ASP A 297
ILE A 395
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
None
 1.09A 4jx1B-2m56A:
59.9		 4jx1B-2m56A:
98.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		8 TYR A  96
THR A 101
LEU A 244
THR A 252
VAL A 295
ASP A 297
ILE A 395
VAL A 396
 CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
None
 0.89A 4jx1B-2m56A:
59.9		 4jx1B-2m56A:
98.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obn HYPOTHETICAL PROTEIN

(Trichormus
variabilis) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		5 THR A 322
LEU A 305
THR A 159
VAL A 281
ILE A 282
 None
 1.17A 4jx1B-2obnA:
undetectable		 4jx1B-2obnA:
21.81
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		5 THR A 163
GLY A 169
VAL A  84
ILE A  90
VAL A  88
 None
 1.19A 4jx1B-2qmiA:
undetectable		 4jx1B-2qmiA:
22.08
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 257
LEU A 397
THR A 423
ILE A 253
VAL A 428
 FAD  A1594 (-3.9A)
None
None
None
None
 1.14A 4jx1B-2v6oA:
undetectable		 4jx1B-2v6oA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7l FAB HEAVY CHAIN

(unidentified) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE A 126
GLY A 122
THR A 209
VAL A 202
VAL A 211
 None
 1.20A 4jx1B-2x7lA:
undetectable		 4jx1B-2x7lA:
18.23
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.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.65A 4jx1B-2xkrA:
46.0		 4jx1B-2xkrA:
28.34
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.
2yiu CYTOCHROME C1, HEME
PROTEIN

(Paracoccus
denitrificans) 		PF02167
(Cytochrom_C1) 		5 PHE B 116
TYR B 112
THR B  79
THR B 243
VAL B  91
 None
 1.09A 4jx1B-2yiuB:
undetectable		 4jx1B-2yiuB:
24.88
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 PHE A 430
TYR A 592
LEU A 415
GLY A 416
ILE A 423
 None
 1.14A 4jx1B-3ai7A:
undetectable		 4jx1B-3ai7A:
19.85
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.
3c41 AMINO ACID ABC
TRANSPORTER (ARTP)

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 PHE J 235
GLY J  39
VAL J 192
ILE J  33
VAL J  32
 None
ANP  J 601 (-3.2A)
None
None
None
 1.14A 4jx1B-3c41J:
undetectable		 4jx1B-3c41J:
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.
3f9t L-TYROSINE
DECARBOXYLASE MFNA

(Methanocaldococcus
jannaschii) 		PF00282
(Pyridoxal_deC) 		5 LEU A  99
GLY A 138
ASP A 206
ILE A 175
VAL A 127
 None
None
PLP  A 500 (-2.6A)
None
None
 1.13A 4jx1B-3f9tA:
undetectable		 4jx1B-3f9tA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 GLY A 137
THR A 163
VAL A 167
ILE A 170
VAL A 166
 None
 1.14A 4jx1B-3h7lA:
undetectable		 4jx1B-3h7lA:
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 THR A  80
GLY A 215
VAL A 110
ILE A  84
VAL A  85
 None
None
None
None
AHZ  A 500 (-4.8A)
 0.98A 4jx1B-3jskA:
undetectable		 4jx1B-3jskA:
22.04
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.
3mxw 5E1 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.19A 4jx1B-3mxwH:
undetectable		 4jx1B-3mxwH:
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.
3pqu TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
suis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 THR A 433
GLY A 553
VAL A 478
ILE A 505
VAL A 485
 None
 1.11A 4jx1B-3pquA:
undetectable		 4jx1B-3pquA:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zby P450 HEME-THIOLATE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 LEU A 229
GLY A 233
THR A 237
VAL A 280
VAL A 383
 HEM  A1402 ( 4.6A)
EDO  A1406 ( 3.4A)
HEM  A1402 (-3.7A)
HEM  A1402 (-4.4A)
None
 0.67A 4jx1B-3zbyA:
44.3		 4jx1B-3zbyA:
30.79
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		5 PHE A 220
TYR A 383
GLY A 380
ILE A 368
VAL A 369
 None
 1.22A 4jx1B-4ap3A:
undetectable		 4jx1B-4ap3A:
20.85
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 THR A 264
GLY A 479
VAL A 487
ASP A 497
VAL A 499
 None
 1.09A 4jx1B-4arxA:
undetectable		 4jx1B-4arxA:
22.64
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 PHE A 373
GLY A  92
THR A 439
ILE A  59
VAL A 403
 None
 1.07A 4jx1B-4b90A:
undetectable		 4jx1B-4b90A:
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 PHE A 373
GLY A  92
THR A 439
ILE A  59
VAL A 403
 None
 1.00A 4jx1B-4b92A:
undetectable		 4jx1B-4b92A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		9 TYR A  98
THR A 103
LEU A 252
GLY A 256
THR A 260
VAL A 303
ASP A 305
ILE A 403
VAL A 404
 None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
None
GOL  A1419 (-3.5A)
 0.76A 4jx1B-4c9mA:
53.7		 4jx1B-4c9mA:
45.15
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 PHE A  57
LEU A 319
GLY A 320
VAL A 373
ILE A  62
 None
 1.19A 4jx1B-4d9iA:
undetectable		 4jx1B-4d9iA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 PHE A  87
THR A 101
GLY A 254
THR A 258
VAL A 301
ILE A 401
VAL A 402
 None
HEM  A 501 ( 4.8A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
None
None
 0.59A 4jx1B-4dxyA:
56.5		 4jx1B-4dxyA:
46.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 PHE A  87
THR A 101
LEU A 250
GLY A 254
THR A 258
VAL A 301
VAL A 402
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
None
 0.67A 4jx1B-4dxyA:
56.5		 4jx1B-4dxyA:
46.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evw NUCLEOSIDE-DIPHOSPHA
TE-SUGAR
PYROPHOSPHORYLASE

(Vibrio cholerae) 		no annotation 5 LEU A  80
GLY A  94
VAL A 111
ILE A   4
VAL A   3
 None
 1.08A 4jx1B-4evwA:
undetectable		 4jx1B-4evwA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 PHE A 593
LEU A 556
VAL A 663
ILE A 705
VAL A 703
 None
 1.16A 4jx1B-4fd2A:
undetectable		 4jx1B-4fd2A:
21.78
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.
4fql MONOCLONAL ANTIBODY
CR8033 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.21A 4jx1B-4fqlH:
undetectable		 4jx1B-4fqlH:
16.95
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 PHE A 370
GLY A  89
THR A 436
ILE A  56
VAL A 400
 None
 1.03A 4jx1B-4gz7A:
undetectable		 4jx1B-4gz7A:
21.10
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.
4hcr PF-547659 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 133
GLY H 129
THR H 216
VAL H 209
VAL H 218
 None
 1.19A 4jx1B-4hcrH:
undetectable		 4jx1B-4hcrH:
18.34
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.
4ht1 CHIMERIC ANTIBODY
FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 129
GLY H 125
THR H 212
VAL H 205
VAL H 214
 None
 1.17A 4jx1B-4ht1H:
undetectable		 4jx1B-4ht1H:
18.03
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.
4hwe FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 128
GLY H 124
THR H 211
VAL H 204
VAL H 213
 None
 1.10A 4jx1B-4hweH:
undetectable		 4jx1B-4hweH:
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.
4kaq RITUXIMAB HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 130
GLY H 126
THR H 213
VAL H 206
VAL H 215
 None
 1.16A 4jx1B-4kaqH:
undetectable		 4jx1B-4kaqH:
17.66
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 LEU A 149
GLY A 123
THR A 128
VAL A 282
ILE A 210
 None
 1.17A 4jx1B-4l4yA:
undetectable		 4jx1B-4l4yA:
22.73
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.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 LEU A 149
GLY A 123
THR A 128
VAL A 282
ILE A 210
 None
 1.14A 4jx1B-4l5iA:
undetectable		 4jx1B-4l5iA:
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.
4lnv THIOESTER-CONTAINING
PROTEIN I

(Anopheles
gambiae) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 PHE A 818
GLY A1178
VAL A1135
ILE A1170
VAL A1172
 None
 1.21A 4jx1B-4lnvA:
undetectable		 4jx1B-4lnvA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lri MSL-109 HEAVY CHAIN

(Homo sapiens) 		no annotation 5 PHE P 139
GLY P 135
THR P 222
VAL P 215
VAL P 224
 None
 1.18A 4jx1B-4lriP:
undetectable		 4jx1B-4lriP:
18.16
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.
4mxv ANTI-LYMPHOTOXIN
ALPHA ANTIBODY HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE F 122
GLY F 118
THR F 205
VAL F 198
VAL F 207
 None
 1.21A 4jx1B-4mxvF:
undetectable		 4jx1B-4mxvF:
20.19
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.
4nk7 SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Drosophila
melanogaster) 		no annotation 5 LEU A 409
GLY A 412
THR A 391
VAL A 495
VAL A 492
 None
 1.14A 4jx1B-4nk7A:
undetectable		 4jx1B-4nk7A:
21.10
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.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 PHE A 216
GLY A 231
VAL A 204
ILE A 227
VAL A 228
 None
 1.14A 4jx1B-4q0mA:
undetectable		 4jx1B-4q0mA:
23.57
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.
4q98 MAJOR FIMBRIAL
SUBUNIT PROTEIN

(Porphyromonas
gingivalis) 		PF06321
(P_gingi_FimA)
PF15495
(Fimbrillin_C) 		5 THR A 357
GLY A 235
THR A 238
ILE A 279
VAL A 207
 None
 1.02A 4jx1B-4q98A:
undetectable		 4jx1B-4q98A:
21.67
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 THR A 382
LEU A  98
GLY A 190
VAL A 258
VAL A 352
 None
 1.20A 4jx1B-4qbuA:
undetectable		 4jx1B-4qbuA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04998
(RNA_pol_Rpb1_5) 		5 PHE B1101
LEU C 358
GLY A   9
VAL B1064
VAL B1095
 None
 1.13A 4jx1B-4qiwB:
undetectable		 4jx1B-4qiwB:
18.10
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.
4r96 LLAMA GLAMA FAB 48A2
AGAINST HUMAN CMET H
CHAIN

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE B 128
GLY B 124
THR B 211
VAL B 204
VAL B 213
 None
 1.18A 4jx1B-4r96B:
undetectable		 4jx1B-4r96B:
18.05
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.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 PHE B 216
GLY B 231
VAL B 204
ILE B 227
VAL B 228
 None
 1.16A 4jx1B-4ra6B:
undetectable		 4jx1B-4ra6B:
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.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 THR A 215
LEU A 211
GLY A 237
VAL A 227
VAL A 253
 None
 1.18A 4jx1B-4rxtA:
undetectable		 4jx1B-4rxtA:
22.52
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.
4rz0 PFL0690C

(Plasmodium
(Laverania)) 		PF00856
(SET) 		5 THR A  36
GLY A  86
VAL A  99
ILE A 123
VAL A 124
 None
 1.05A 4jx1B-4rz0A:
undetectable		 4jx1B-4rz0A:
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 THR A 264
GLY A 479
VAL A 487
ASP A 497
VAL A 499
 None
 1.10A 4jx1B-4w8jA:
undetectable		 4jx1B-4w8jA:
16.30
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.
5awn HEAVY CHAIN OF
3BC176 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.18A 4jx1B-5awnH:
undetectable		 4jx1B-5awnH:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5u L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 6 PHE B 216
GLY B 231
THR B 260
VAL B 204
ILE B 227
VAL B 228
 None
 1.43A 4jx1B-5b5uB:
undetectable		 4jx1B-5b5uB:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5chh ARAC FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF12625
(Arabinose_bd)
PF12833
(HTH_18) 		5 PHE A  98
TYR A  66
LEU A  62
GLY A  59
ASP A 101
 None
 1.14A 4jx1B-5chhA:
undetectable		 4jx1B-5chhA:
20.42
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.
5cqs ELONGATOR COMPLEX
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF04762
(IKI3) 		5 LEU A1011
GLY A1010
VAL A 993
ILE A 998
VAL A 997
 None
 1.12A 4jx1B-5cqsA:
undetectable		 4jx1B-5cqsA:
21.56
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.
5d1z D4-10 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE D 137
GLY D 133
THR D 220
VAL D 213
VAL D 222
 None
 1.21A 4jx1B-5d1zD:
undetectable		 4jx1B-5d1zD:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 TYR A 343
THR A 467
GLY A 482
ILE A 403
VAL A 417
 None
 1.19A 4jx1B-5d6nA:
undetectable		 4jx1B-5d6nA:
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.
5dmi CHI220 FAB HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 122
GLY H 118
THR H 217
VAL H 210
VAL H 219
 None
 1.21A 4jx1B-5dmiH:
undetectable		 4jx1B-5dmiH:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 TYR A 530
THR A 480
VAL A 439
ILE A 440
VAL A 379
 None
 1.21A 4jx1B-5dmyA:
undetectable		 4jx1B-5dmyA:
16.28
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.
5dum 65C6 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 136
GLY H 132
THR H 219
VAL H 212
VAL H 221
 None
 1.15A 4jx1B-5dumH:
undetectable		 4jx1B-5dumH:
18.31
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.
5dur HEAVY CHAIN OF
ANTIBODY 100F4

(Homo sapiens) 		no annotation 5 PHE H 130
GLY H 126
THR H 213
VAL H 206
VAL H 215
 None
 1.20A 4jx1B-5durH:
undetectable		 4jx1B-5durH:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ez7 FLAVOENZYME PA4991

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		5 THR A   7
GLY A 188
VAL A  35
ILE A  11
VAL A  12
 None
None
None
None
FAD  A 401 (-4.7A)
 1.05A 4jx1B-5ez7A:
undetectable		 4jx1B-5ez7A:
23.04
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.
5fgc ANTI-HCV E2 FAB
HC33.8 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE E 136
GLY E 132
THR E 219
VAL E 212
VAL E 221
 None
 1.22A 4jx1B-5fgcE:
undetectable		 4jx1B-5fgcE:
19.95
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.
5fuz 645 FAB, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 130
GLY H 126
THR H 213
VAL H 206
VAL H 215
 None
 1.21A 4jx1B-5fuzH:
undetectable		 4jx1B-5fuzH:
18.90
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.
5inw PUTATIVE
ANGIOTENSINOGEN
C-TERMINAL PEPTIDE
OF PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis;
Lampetra
fluviatilis) 		PF00079
(Serpin)
PF00079
(Serpin) 		5 PHE A 247
TYR A 301
THR A 405
ILE C 443
VAL C 442
 None
 1.11A 4jx1B-5inwA:
undetectable		 4jx1B-5inwA:
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.
5jia RAN-BINDING PROTEIN
10

(Mus musculus) 		PF00622
(SPRY) 		5 LEU A 132
GLY A 205
VAL A 107
ILE A 109
VAL A 213
 None
 1.15A 4jx1B-5jiaA:
undetectable		 4jx1B-5jiaA:
19.41
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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 LEU A 244
GLY A 317
VAL A 219
ILE A 221
VAL A 325
 None
 1.21A 4jx1B-5jiuA:
undetectable		 4jx1B-5jiuA:
18.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 GLY A 250
THR A 254
VAL A 297
ILE A 397
VAL A 398
 HEM  A 501 (-3.8A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
None
 0.45A 4jx1B-5kyoA:
52.8		 4jx1B-5kyoA:
40.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 GLY A 251
THR A 254
VAL A 297
ILE A 397
VAL A 398
 HEM  A 501 (-3.3A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
None
 0.80A 4jx1B-5kyoA:
52.8		 4jx1B-5kyoA:
40.83
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 THR A 155
GLY A  83
ASP A 263
ILE A  52
VAL A 150
 None
 1.06A 4jx1B-5lnqA:
undetectable		 4jx1B-5lnqA:
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.
5ms7 LEGIONELLA
PNEUMOPHILA EFFECTOR
PROTEIN RAVZ

(Legionella
pneumophila) 		no annotation 5 PHE A  75
TYR A  72
THR A 181
VAL A 269
ILE A 270
 None
 1.17A 4jx1B-5ms7A:
undetectable		 4jx1B-5ms7A:
21.53
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		5 PHE A  98
THR A  63
GLY A 112
VAL A 116
ASP A  99
 None
U91  A 403 ( 4.9A)
None
None
None
 1.20A 4jx1B-5mvdA:
undetectable		 4jx1B-5mvdA:
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		6 PHE A  98
THR A  63
LEU A  68
VAL A 116
ASP A  99
ILE A  94
 None
U91  A 403 ( 4.9A)
U91  A 403 (-4.8A)
None
None
None
 1.20A 4jx1B-5mvdA:
undetectable		 4jx1B-5mvdA:
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.
5uix DH576 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 139
GLY H 135
THR H 222
VAL H 215
VAL H 224
 None
 1.15A 4jx1B-5uixH:
undetectable		 4jx1B-5uixH:
20.19
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.
5vgj VRC38.01 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.21A 4jx1B-5vgjH:
undetectable		 4jx1B-5vgjH:
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.
5vig FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 5 PHE H 122
GLY H 118
THR H 205
VAL H 198
VAL H 207
 None
 1.11A 4jx1B-5vigH:
undetectable		 4jx1B-5vigH:
18.94
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.
5vod FAB 9I6 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 149
GLY H 145
THR H 232
VAL H 225
VAL H 234
 None
 1.08A 4jx1B-5vodH:
undetectable		 4jx1B-5vodH:
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.
5z0c NEROL DEHYDROGENASE

(Persicaria
minor) 		no annotation 5 PHE A 358
LEU A  70
GLY A 137
ASP A 141
ILE A 354
 None
 1.16A 4jx1B-5z0cA:
undetectable		 4jx1B-5z0cA:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 PHE A 113
GLY A 311
THR A 314
VAL A 375
VAL A 486
 None
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.7A)
HEM  A 600 (-4.4A)
None
 1.18A 4jx1B-6c93A:
30.1		 4jx1B-6c93A:
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.
6co9 PROBABLE
COA-TRANSFERASE BETA
SUBUNIT

(Rhodococcus
jostii) 		no annotation 5 TYR B 139
THR B 137
LEU B 176
GLY B 160
VAL B 156
 None
 1.10A 4jx1B-6co9B:
undetectable		 4jx1B-6co9B:
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.
6gk7 HUMAN FAB ANTIBODY
FRAGMENT OF
CBTAU-27.1(S31Y,T100
I)

(Homo sapiens) 		no annotation 5 PHE H 131
GLY H 127
THR H 214
VAL H 207
VAL H 216
 None
 1.18A 4jx1B-6gk7H:
undetectable		 4jx1B-6gk7H:
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.
6h0e -

(-) 		no annotation 5 PHE H 130
GLY H 126
THR H 213
VAL H 206
VAL H 215
 None
 1.22A 4jx1B-6h0eH:
undetectable		 4jx1B-6h0eH:
undetectable