SIMILAR PATTERNS OF AMINO ACIDS FOR 4QZT_A_RTLA201_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ggl PROTEIN (CELLULAR
RETINOL-BINDING
PROTEIN III)

(Homo sapiens) 		PF00061
(Lipocalin) 		8 ILE A  25
LYS A  40
THR A  53
TYR A  60
VAL A  62
TRP A 106
LEU A 117
LEU A 119
 None
 0.60A 4qztA-1gglA:
23.8		 4qztA-1gglA:
50.38
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.
1j05 ANTI-CEA MAB T84.66,
HEAVY CHAIN
ANTI-CEA MAB T84.66,
LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 ILE L  48
GLN L   6
TYR L  86
GLN H  39
LEU H  45
 None
 1.26A 4qztA-1j05L:
0.0		 4qztA-1j05L:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kqx CELLULAR
RETINOL-BINDING
PROTEIN

(Danio rerio) 		PF00061
(Lipocalin) 		9 MET A  20
ILE A  25
GLN A  38
LYS A  40
THR A  53
VAL A  62
TRP A 106
GLN A 108
LEU A 117
 None
 0.64A 4qztA-1kqxA:
25.7		 4qztA-1kqxA:
75.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kqx CELLULAR
RETINOL-BINDING
PROTEIN

(Danio rerio) 		PF00061
(Lipocalin) 		5 MET A  20
ILE A  25
TYR A  60
VAL A  62
TRP A 106
 None
 1.42A 4qztA-1kqxA:
25.7		 4qztA-1kqxA:
75.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lpj RETINOL-BINDING
PROTEIN IV, CELLULAR

(Homo sapiens) 		PF00061
(Lipocalin) 		7 MET A  20
ILE A  25
LYS A  40
THR A  53
VAL A  62
TRP A 106
LEU A 117
 None
 0.66A 4qztA-1lpjA:
25.5		 4qztA-1lpjA:
58.65
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ILE A 306
VAL A 358
SER A 326
LEU A 338
LEU A 374
 PLP  A1110 (-4.5A)
None
None
None
None
 1.45A 4qztA-1m54A:
0.0		 4qztA-1m54A:
16.25
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.
1nfd H57 FAB
H57 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE E  48
GLN E   6
TYR E  86
GLN F  39
LEU F  45
 None
 1.47A 4qztA-1nfdE:
0.0		 4qztA-1nfdE:
24.10
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		5 MET A 127
ILE A 151
THR A 204
LEU A 241
LEU A 200
 None
None
NAI  A 301 (-4.4A)
None
None
 1.09A 4qztA-1o9bA:
undetectable		 4qztA-1o9bA:
19.31
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.
1otk PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAC

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		5 TYR A  99
VAL A 200
SER A 138
LEU A 170
LEU A  83
 None
 1.36A 4qztA-1otkA:
undetectable		 4qztA-1otkA:
21.68
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 MET A 205
THR A 188
VAL A 160
LEU A 192
LEU A 200
 None
 1.18A 4qztA-1vz8A:
0.4		 4qztA-1vz8A:
15.13
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.
1xdv SON OF SEVENLESS
PROTEIN HOMOLOG 1

(Homo sapiens) 		PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		5 ILE A 437
LYS A 498
GLN A 500
LEU A 541
LEU A 463
 None
 1.12A 4qztA-1xdvA:
undetectable		 4qztA-1xdvA:
10.11
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ILE A  49
VAL A  10
SER A  42
LEU A  89
LEU A  55
 None
 1.40A 4qztA-1y7iA:
undetectable		 4qztA-1y7iA:
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ILE A 327
TYR A 155
VAL A 126
LEU A   7
LEU A 159
 None
 1.48A 4qztA-1zapA:
undetectable		 4qztA-1zapA:
19.08
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 GLN A 269
TYR A 374
SER A 351
GLN A 382
LEU A 302
 None
 1.26A 4qztA-2a0uA:
undetectable		 4qztA-2a0uA:
16.19
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 MET A 325
ILE A 330
VAL A 262
LEU A 318
LEU A 320
 None
None
NAD  A1403 (-3.8A)
None
None
 1.20A 4qztA-2dphA:
undetectable		 4qztA-2dphA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 ILE A 407
THR A 346
VAL A 169
LEU A  99
LEU A 275
 None
 1.35A 4qztA-2inpA:
undetectable		 4qztA-2inpA:
14.26
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ILE A 697
VAL A 667
GLN A 660
LEU A 659
LEU A 689
 None
 1.44A 4qztA-2iujA:
0.3		 4qztA-2iujA:
10.16
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.
2m6r FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 TYR A  47
VAL A  52
GLN A  82
LEU A  79
LEU A  41
 None
 1.50A 4qztA-2m6rA:
undetectable		 4qztA-2m6rA:
20.51
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 MET A 361
THR A 355
VAL A 398
SER A 244
LEU A 406
 None
None
None
MG  A 901 (-2.2A)
None
 1.36A 4qztA-2odpA:
undetectable		 4qztA-2odpA:
14.35
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.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 THR A 161
VAL A 168
TRP A 221
LEU A 195
LEU A 206
 None
 1.29A 4qztA-2px5A:
undetectable		 4qztA-2px5A:
18.01
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.
2r1h HEMOGLOBIN SUBUNIT
ALPHA-4

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		5 MET A  64
ILE A  67
VAL A  94
LEU A  33
LEU A  29
 None
HEM  A 143 (-4.9A)
HEM  A 143 ( 4.7A)
None
None
 1.42A 4qztA-2r1hA:
undetectable		 4qztA-2r1hA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rcq RETINOL-BINDING
PROTEIN II, CELLULAR

(Homo sapiens) 		PF00061
(Lipocalin) 		11 MET A  20
ILE A  25
GLN A  38
LYS A  40
THR A  53
VAL A  62
SER A  76
TRP A 106
GLN A 108
LEU A 117
LEU A 119
 None
 0.39A 4qztA-2rcqA:
26.6		 4qztA-2rcqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ILE A 282
TYR A  70
VAL A 131
LEU A   4
LEU A  49
 None
 1.22A 4qztA-2wskA:
undetectable		 4qztA-2wskA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7l FAB HEAVY CHAIN
FAB LIGHT CHAIN

(unidentified;
unidentified) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE B  48
GLN B   6
TYR B  86
GLN A  39
LEU A  45
 None
 1.50A 4qztA-2x7lB:
undetectable		 4qztA-2x7lB:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3amj ZINC PEPTIDASE
ACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		no annotation 5 MET C 393
GLN C 119
VAL C  44
LEU C 126
LEU C  55
 None
 1.43A 4qztA-3amjC:
undetectable		 4qztA-3amjC:
14.49
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.
3bgf F26G19 FAB
F26G19 FAB

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 ILE L  48
GLN L   6
TYR L  86
GLN H  39
LEU H  45
 None
 1.46A 4qztA-3bgfL:
undetectable		 4qztA-3bgfL:
21.00
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 VAL A 280
SER A  52
GLN A 305
LEU A 308
LEU A  61
 None
 1.27A 4qztA-3f11A:
undetectable		 4qztA-3f11A:
17.45
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.
3fij LIN1909 PROTEIN

(Listeria
innocua) 		PF07722
(Peptidase_C26) 		5 ILE A  49
THR A  74
VAL A 123
SER A  95
GLN A 180
 None
 1.47A 4qztA-3fijA:
undetectable		 4qztA-3fijA:
19.11
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.
3h90 FERROUS-IRON EFFLUX
PUMP FIEF

(Escherichia
coli) 		PF01545
(Cation_efflux)
PF16916
(ZT_dimer) 		5 ILE A  90
GLN A 145
VAL A  59
LEU A 205
LEU A  84
 None
 1.46A 4qztA-3h90A:
undetectable		 4qztA-3h90A:
14.93
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.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 MET A 380
THR A 282
TYR A  68
VAL A  58
LEU A 289
 None
EDO  A   2 ( 4.5A)
None
None
None
 1.32A 4qztA-3i4gA:
undetectable		 4qztA-3i4gA:
12.88
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		5 ILE A 481
TYR A 487
VAL A 517
LEU A 435
LEU A 561
 None
 1.20A 4qztA-3jd8A:
undetectable		 4qztA-3jd8A:
7.94
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.
3k3s ALTRONATE HYDROLASE

(Shigella
flexneri) 		PF08666
(SAF) 		5 ILE A  69
VAL A  27
GLN A   2
LEU A  19
LEU A  34
 None
 1.44A 4qztA-3k3sA:
undetectable		 4qztA-3k3sA:
19.73
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.
3qax PROBABLE ABC
TRANSPORTER
ARGININE-BINDING
PROTEIN ARTJ

(Chlamydia
pneumoniae) 		PF00497
(SBP_bac_3) 		5 GLN A 124
THR A 127
TYR A 128
SER A  78
LEU A 164
 ARG  A 600 (-3.6A)
ARG  A 600 (-4.3A)
ARG  A 600 (-4.7A)
ARG  A 600 (-2.6A)
None
 1.41A 4qztA-3qaxA:
undetectable		 4qztA-3qaxA:
22.30
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.
3qkx UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HI_0893

(Haemophilus
influenzae) 		PF00440
(TetR_N) 		5 MET A  30
ILE A  44
GLN A 107
LEU A  25
LEU A  28
 None
 1.46A 4qztA-3qkxA:
undetectable		 4qztA-3qkxA:
18.95
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.
3qkx UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HI_0893

(Haemophilus
influenzae) 		PF00440
(TetR_N) 		5 MET A  30
ILE A  44
VAL A  62
LEU A  25
LEU A  28
 None
 1.38A 4qztA-3qkxA:
undetectable		 4qztA-3qkxA:
18.95
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.
3r7w GTP-BINDING PROTEIN
GTR2

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		5 ILE B 183
TYR B 215
VAL B 223
SER B 176
LEU B 193
 None
 1.41A 4qztA-3r7wB:
1.7		 4qztA-3r7wB:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rkr SHORT CHAIN
OXIDOREDUCTASE

(uncultured
bacterium Bio5) 		PF00106
(adh_short) 		5 ILE A 141
SER A 182
GLN A   7
LEU A   4
LEU A  26
 None
 1.37A 4qztA-3rkrA:
undetectable		 4qztA-3rkrA:
15.27
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 MET A 149
THR A  67
TYR A  35
VAL A  65
SER A   4
 None
 1.41A 4qztA-3u95A:
undetectable		 4qztA-3u95A:
13.84
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.
3uzv ANTI-DENGUE MAB 4E11

(Mus musculus) 		PF07686
(V-set) 		5 ILE B 184
GLN B 138
TYR B 222
GLN B  40
LEU B  46
 None
 1.40A 4qztA-3uzvB:
undetectable		 4qztA-3uzvB:
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.
3zcw KINESIN-LIKE PROTEIN
KIF11

(Homo sapiens) 		PF00225
(Kinesin) 		5 ILE A 196
THR A 100
SER A 240
LEU A 295
LEU A 316
 None
None
None
4A2  A1366 (-4.1A)
None
 1.15A 4qztA-3zcwA:
undetectable		 4qztA-3zcwA:
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.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		5 MET A 130
THR A  30
GLN A 429
LEU A 347
LEU A 345
 None
 1.45A 4qztA-4b2gA:
undetectable		 4qztA-4b2gA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE

(Homo sapiens) 		PF02668
(TauD)
PF06155
(DUF971) 		5 ILE A 358
TYR A 194
GLN A 215
LEU A 217
LEU A 362
 None
RUJ  A 401 (-4.3A)
ZN  A 402 ( 4.2A)
None
OGA  A 400 (-4.9A)
 1.43A 4qztA-4bhiA:
undetectable		 4qztA-4bhiA:
17.53
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		5 ILE A 436
GLN A 838
VAL A 788
SER A 429
LEU A 836
 None
 1.44A 4qztA-4ecnA:
undetectable		 4qztA-4ecnA:
9.86
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		5 MET A 317
ILE A 348
SER A 393
LEU A 321
LEU A 353
 None
 1.34A 4qztA-4f9dA:
undetectable		 4qztA-4f9dA:
12.72
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN
ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
LIGHT CHAIN

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L  48
GLN L   6
TYR L  86
GLN H  38
LEU H  44
 None
 1.48A 4qztA-4hbcL:
undetectable		 4qztA-4hbcL:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idj FAB HEAVY CHAIN
FAB LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L  48
GLN L   6
TYR L  86
GLN H  39
LEU H  45
 None
 1.42A 4qztA-4idjL:
undetectable		 4qztA-4idjL:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lej VICILIN

(Pinus
koraiensis) 		PF00190
(Cupin_1) 		5 ILE A 122
TYR A 139
VAL A 146
LEU A 150
LEU A 128
 GOL  A 503 ( 4.6A)
None
None
None
None
 1.31A 4qztA-4lejA:
undetectable		 4qztA-4lejA:
16.22
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		5 ILE X 229
VAL X 219
SER X 207
LEU X 240
LEU X 238
 LLP  X  42 ( 4.7A)
None
None
None
None
 1.48A 4qztA-4li3X:
undetectable		 4qztA-4li3X:
17.52
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.
4llv 4E10 FV HEAVY CHAIN
4E10 FV LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 ILE B  48
GLN B   6
TYR B  86
GLN A  39
LEU A  45
 None
 1.39A 4qztA-4llvB:
undetectable		 4qztA-4llvB:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 VAL A 199
SER A 401
GLN A 211
LEU A 208
LEU A 158
 None
 1.46A 4qztA-4p08A:
undetectable		 4qztA-4p08A:
10.78
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.
4qgu GAMMA-INTERFERON-IND
UCIBLE PROTEIN 16

(Homo sapiens) 		PF02760
(HIN) 		5 ILE A 386
TYR A 317
GLN A 310
LEU A 307
LEU A 378
 None
 1.19A 4qztA-4qguA:
undetectable		 4qztA-4qguA:
22.71
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 ILE P 521
TYR P 585
VAL P 589
SER P 558
LEU P 446
 None
None
None
SO4  P 704 (-4.9A)
None
 1.50A 4qztA-4s2tP:
undetectable		 4qztA-4s2tP:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1d SINGLE CHAIN
ANTIBODY FRAGMENT
RU1, HEAVY CHAIN
SINGLE CHAIN
ANTIBODY FRAGMENT
RU1, LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 ILE E 188
GLN E 145
TYR E 226
GLN D  39
LEU D  45
 None
 1.24A 4qztA-4v1dE:
undetectable		 4qztA-4v1dE:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjz SCFV H2526

(Homo sapiens) 		PF07686
(V-set) 		5 ILE L  49
GLN L   6
TYR L  87
GLN L 239
LEU L 245
 None
 1.33A 4qztA-4yjzL:
undetectable		 4qztA-4yjzL:
18.11
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.
4yue S4B6 FAB HEAVY CHAIN
S4B6 FAB LIGHT CHAIN

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L  51
GLN L   9
TYR L  89
GLN H  42
LEU H  48
 None
 1.39A 4qztA-4yueL:
undetectable		 4qztA-4yueL:
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.
4zs7 LLAMA FAB FRAGMENT
68F2 HEAVY CHAIN
LLAMA FAB FRAGMENT
68F2 LIGHT CHAIN

(Lama glama;
Lama glama) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L  50
GLN L   6
TYR L  88
GLN H  41
LEU H  47
 None
 1.20A 4qztA-4zs7L:
undetectable		 4qztA-4zs7L:
19.80
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.
5eks 3-DEHYDROQUINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF01761
(DHQ_synthase) 		5 GLN A 168
VAL A 218
SER A 132
LEU A  21
LEU A 163
 None
None
NAD  A 400 ( 4.0A)
None
None
 1.26A 4qztA-5eksA:
undetectable		 4qztA-5eksA:
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.
5grj AVELUMAB H CHAIN
AVELUMAB L CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 ILE L  50
GLN L   6
TYR L  88
GLN H  39
LEU H  45
 None
 1.14A 4qztA-5grjL:
undetectable		 4qztA-5grjL:
19.40
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ILE A 451
THR A 516
SER A 479
LEU A 501
LEU A 459
 None
 1.29A 4qztA-5h2vA:
undetectable		 4qztA-5h2vA:
8.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hns NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		no annotation 5 ILE A 481
TYR A 487
VAL A 517
LEU A 435
LEU A 561
 None
 1.20A 4qztA-5hnsA:
undetectable		 4qztA-5hnsA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8k HHH1 FAB HEAVY CHAIN
HHH1 FAB LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L  50
GLN L   6
TYR L  88
GLN H  39
LEU H  45
 None
 1.40A 4qztA-5i8kL:
undetectable		 4qztA-5i8kL:
23.00
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 5 TYR A 198
SER A 202
GLN A  47
LEU A  33
LEU A  35
 None
 1.01A 4qztA-5nywA:
undetectable		 4qztA-5nywA:
17.67
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.
5u3p DH511.4 FAB HEAVY
CHAIN
DH511.4 FAB LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L  48
GLN L   6
TYR L  86
GLN H  39
LEU H  45
 None
 1.30A 4qztA-5u3pL:
undetectable		 4qztA-5u3pL:
23.61
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.
5v1m U6 SNRNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF09749
(HVSL) 		5 ILE A 160
GLN A 231
VAL A 101
LEU A 243
LEU A 173
 None
 1.20A 4qztA-5v1mA:
undetectable		 4qztA-5v1mA:
19.27
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.
5v88 LYSOZYME,DCN1-LIKE
PROTEIN 1

(Homo sapiens;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF03556
(Cullin_binding) 		5 ILE A  50
VAL A  71
GLN A  -2
LEU A  -5
LEU A  -8
 None
 1.11A 4qztA-5v88A:
undetectable		 4qztA-5v88A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 ILE A  79
GLN A 141
THR A 254
TRP A 514
LEU A  84
 FAD  A 701 (-4.0A)
None
CL  A 717 ( 4.1A)
None
None
 1.22A 4qztA-5wgxA:
2.6		 4qztA-5wgxA:
12.41
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.
5yy5


(;
) 		no annotation
no annotation 		5 ILE D  49
GLN D   6
TYR D  87
GLN C  39
LEU C  45
 None
 1.44A 4qztA-5yy5D:
undetectable		 4qztA-5yy5D:
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.
6ba5 VARIABLE DOMAIN OF
LIGHT CHAIN,
ANTIBODY R11
VARIABLE DOMAIN
HEAVY CHAIN,
ANTIBODY R11

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 ILE A  49
GLN A   7
TYR A  87
GLN B  38
LEU B  44
 None
 1.39A 4qztA-6ba5A:
undetectable		 4qztA-6ba5A:
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.
6ejm SINGLE CHAIN FV
FRAGMENT

(Mus musculus) 		no annotation 5 ILE H 227
GLN H 180
TYR H 265
GLN H  77
LEU H  83
 None
 1.50A 4qztA-6ejmH:
undetectable		 4qztA-6ejmH:
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.
6geb DOTB

(Legionella
pneumophila) 		no annotation 5 ILE A 174
TYR A 256
VAL A 152
LEU A 137
LEU A 132
 None
 1.34A 4qztA-6gebA:
1.3		 4qztA-6gebA:
undetectable