SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUE_B_SAMB303_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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 GLY A 833
TYR A 830
SER A 103
ILE A 533
ASN A 544
 None
 1.32A 4xueB-1h7wA:
3.1		 4xueB-1h7wA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1j FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 451
GLY B 446
TYR B 449
TYR B 421
SER B 362
 None
 1.34A 4xueB-1m1jB:
undetectable		 4xueB-1m1jB:
17.02
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.
1mi1 NEUROBEACHIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 TYR A2307
SER A2370
ILE A2151
ASN A2302
GLN A2149
 None
 1.46A 4xueB-1mi1A:
undetectable		 4xueB-1mi1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 VAL A  19
GLY A  67
TYR A  72
SER A  15
HIS A  66
 None
None
None
None
TPP  A 670 ( 3.8A)
 1.44A 4xueB-1qgdA:
4.0		 4xueB-1qgdA:
16.56
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.
1rcu CONSERVED
HYPOTHETICAL PROTEIN
VT76

(Thermotoga
maritima) 		PF03641
(Lysine_decarbox) 		5 GLY A  42
TYR A  75
SER A  52
SER A  90
GLN A  87
 None
 1.37A 4xueB-1rcuA:
3.0		 4xueB-1rcuA:
23.95
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		7 MET A  61
GLY A  87
TYR A  89
TYR A  92
SER A  93
ILE A 112
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
None
 0.80A 4xueB-1susA:
20.9		 4xueB-1susA:
24.60
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.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 GLY A 166
TYR A 165
SER A 328
GLN A 457
HIS A 167
 None
 1.33A 4xueB-1uikA:
undetectable		 4xueB-1uikA:
18.71
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.
1usw FERULOYL ESTERASE A

(Aspergillus
niger) 		PF01764
(Lipase_3) 		5 VAL A  96
GLY A 103
TYR A 100
ASN A  73
GLN A  45
 None
 1.39A 4xueB-1uswA:
undetectable		 4xueB-1uswA:
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.
1uuf ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN YAHK

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 267
GLY A 295
SER A 292
ILE A 297
GLN A 301
 None
 1.14A 4xueB-1uufA:
6.6		 4xueB-1uufA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 VAL A  55
GLY A 201
SER A 348
ILE A 210
HIS A 335
 None
 1.48A 4xueB-1wvgA:
5.4		 4xueB-1wvgA:
18.98
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.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00290
(Trp_syntA) 		5 VAL A 123
GLY A  49
ILE A  62
SER A  66
GLN A  63
 None
None
IPL  A1001 ( 4.2A)
None
None
 1.49A 4xueB-1wxjA:
undetectable		 4xueB-1wxjA:
24.01
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 VAL A 167
GLY A 119
TYR A 126
SER A 123
GLN A 300
 None
 1.46A 4xueB-2enxA:
undetectable		 4xueB-2enxA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 VAL A 177
GLY A 267
SER A 217
ILE A 255
SER A 270
 MES  A 504 (-4.4A)
MES  A 504 (-3.3A)
MES  A 504 ( 2.7A)
None
None
 1.43A 4xueB-2zm2A:
undetectable		 4xueB-2zm2A:
21.54
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.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 447
GLY B 442
TYR B 445
TYR B 417
SER B 358
 None
 1.28A 4xueB-3bvhB:
undetectable		 4xueB-3bvhB:
18.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  40
VAL A  42
GLY A  66
TYR A  68
TYR A  71
SER A  72
ILE A  91
ASN A  92
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-2.9A)
SAM  A 301 (-3.9A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.15A 4xueB-3bwmA:
41.2		 4xueB-3bwmA:
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.
3dsl ZINC
METALLOPROTEINASE-DI
SINTEGRIN
BOTHROPASIN

(Bothrops
jararaca) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 VAL A 126
GLY A 148
TYR A 115
SER A 118
ILE A 168
 None
 1.43A 4xueB-3dslA:
undetectable		 4xueB-3dslA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 GLY A 157
TYR A 174
SER A 173
ILE A 159
ASN A 144
 None
 1.36A 4xueB-3du4A:
undetectable		 4xueB-3du4A:
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 225
SER A 283
ILE A 264
ASN A 265
SER A 232
 EDO  A 608 (-3.4A)
None
None
None
EDO  A 608 ( 4.1A)
 1.19A 4xueB-3hdxA:
undetectable		 4xueB-3hdxA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 VAL A 158
GLY A 259
ILE A 191
ASN A 192
SER A 181
 None
 1.04A 4xueB-3lvvA:
undetectable		 4xueB-3lvvA:
15.77
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		6 VAL A  55
GLY A  79
TYR A  84
SER A  85
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
None
SO4  A 233 (-4.9A)
SO4  A 233 (-2.6A)
None
None
 1.12A 4xueB-3ntvA:
20.9		 4xueB-3ntvA:
22.98
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.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 MET A 115
VAL A  48
GLY A  92
ILE A  90
ASN A  89
 None
 1.29A 4xueB-3pg1A:
undetectable		 4xueB-3pg1A:
21.45
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.33A 4xueB-3ss6A:
undetectable		 4xueB-3ss6A:
20.67
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 MET A 308
VAL A 310
TYR A 132
ILE A 256
SER A 149
 None
 1.44A 4xueB-3tl2A:
5.1		 4xueB-3tl2A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 264
GLY A 294
SER A 291
ILE A 296
GLN A 300
 NDP  A 601 (-4.0A)
None
None
None
None
 1.14A 4xueB-3twoA:
6.3		 4xueB-3twoA:
22.35
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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 101
TYR A  99
ILE A  86
SER A 132
GLN A 137
 None
 1.41A 4xueB-3v9eA:
undetectable		 4xueB-3v9eA:
14.74
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 373
GLY A 100
ILE A  84
SER A 131
GLN A 136
 None
 1.49A 4xueB-3x1bA:
undetectable		 4xueB-3x1bA:
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 235
TYR A 237
SER A 240
ASN A 485
GLN A 490
 None
EDO  A1989 (-4.5A)
None
None
EDO  A2004 (-3.9A)
 1.36A 4xueB-4cu8A:
2.3		 4xueB-4cu8A:
13.70
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.
4e16 PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Clostridioides
difficile) 		PF00590
(TP_methylase) 		5 VAL A 127
GLY A 227
TYR A 125
SER A 131
ILE A 188
 None
 1.41A 4xueB-4e16A:
undetectable		 4xueB-4e16A:
23.69
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.
4fu0 D-ALANINE--D-ALANINE
LIGASE 7

(Enterococcus
faecalis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 MET A 138
SER A 190
ASN A 109
SER A  20
HIS A 106
 None
ADP  A 401 (-2.4A)
None
None
None
 1.42A 4xueB-4fu0A:
2.5		 4xueB-4fu0A:
19.77
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.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.25A 4xueB-4ig7A:
undetectable		 4xueB-4ig7A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 GLY A 332
TYR A  78
ILE A 145
SER A 147
HIS A 123
 None
 1.32A 4xueB-4n03A:
4.7		 4xueB-4n03A:
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 146
GLY A 194
TYR A 286
SER A 272
ASN A 320
 None
GOL  A 405 (-3.8A)
None
None
None
 1.11A 4xueB-4nd4A:
5.5		 4xueB-4nd4A:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		7 GLY A 109
TYR A 114
ILE A 134
ASN A 135
SER A 162
GLN A 163
HIS A 185
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.7A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 0.45A 4xueB-4p58A:
33.2		 4xueB-4p58A:
81.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		7 GLY A 109
TYR A 114
SER A 115
ILE A 134
ASN A 135
SER A 162
HIS A 185
 2F6  A 301 (-3.6A)
None
None
2F6  A 301 (-3.7A)
None
2F6  A 301 (-3.2A)
None
 0.65A 4xueB-4p58A:
33.2		 4xueB-4p58A:
81.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
TYR A 138
SER A 162
GLN A 163
HIS A 185
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 1.13A 4xueB-4p58A:
33.2		 4xueB-4p58A:
81.60
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.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		5 MET A 106
VAL A  49
GLY A  83
ILE A  81
ASN A  80
 None
 1.34A 4xueB-4xrlA:
undetectable		 4xueB-4xrlA:
20.52
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		5 MET A 660
TYR A 574
ILE A 139
ASN A 140
SER A 450
 None
 1.07A 4xueB-4zgvA:
undetectable		 4xueB-4zgvA:
13.33
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 VAL A 156
GLY A 151
TYR A 154
ILE A 147
ASN A 163
 DGT  A 703 ( 3.6A)
None
None
None
None
 1.42A 4xueB-4zweA:
undetectable		 4xueB-4zweA:
19.67
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 VAL A 156
GLY A 151
TYR A 154
ILE A 147
ASN A 163
 None
 1.37A 4xueB-5ao0A:
undetectable		 4xueB-5ao0A:
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.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		5 MET A 109
VAL A  50
GLY A  85
ILE A  83
ASN A  82
 None
 1.41A 4xueB-5awmA:
undetectable		 4xueB-5awmA:
19.07
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
 1.25A 4xueB-5fnuA:
undetectable		 4xueB-5fnuA:
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 VAL A 380
GLY A 339
ILE A 186
HIS A 364
TRP A 189
 NAG  A 704 (-3.6A)
None
None
None
None
 1.35A 4xueB-5gqfA:
undetectable		 4xueB-5gqfA:
16.35
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 GLY B1054
TYR B1167
ASN B1074
SER B1399
GLN B1400
 None
 1.49A 4xueB-5gztB:
undetectable		 4xueB-5gztB:
11.10
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 GLY A1054
TYR A1167
ASN A1074
SER A1399
GLN A1400
 None
 1.39A 4xueB-5gzuA:
undetectable		 4xueB-5gzuA:
13.00
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN
HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 VAL L 100
GLY H  48
TYR L  94
ILE H  33
ASN H  32
 None
None
None
None
FUC  H 301 (-3.2A)
 1.42A 4xueB-5i8oL:
undetectable		 4xueB-5i8oL:
25.61
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN
HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 VAL L 100
GLY H  48
TYR L  94
ILE H  50
ASN H  32
 None
None
None
None
FUC  H 301 (-3.2A)
 1.37A 4xueB-5i8oL:
undetectable		 4xueB-5i8oL:
25.61
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 GLY A 101
TYR A 103
TYR A 106
SER A 107
ILE A 126
ASN A 127
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
None
 0.65A 4xueB-5kvaA:
21.0		 4xueB-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 MET A  75
GLY A 101
TYR A 103
SER A 107
ILE A 126
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
None
 0.71A 4xueB-5kvaA:
21.0		 4xueB-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sy1 STRA6

(Danio rerio) 		PF14752
(RBP_receptor) 		5 VAL A 559
GLY A 565
TYR A 225
TYR A 228
SER A 570
 None
 1.46A 4xueB-5sy1A:
undetectable		 4xueB-5sy1A:
15.12
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  42
GLY A  66
SER A  72
ILE A  91
GLN A 121
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.2A)
 0.91A 4xueB-5x7fA:
20.7		 4xueB-5x7fA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 5 GLY A  12
TYR A 206
SER A 187
SER A   8
GLN A   5
 None
 1.33A 4xueB-5z6oA:
2.3		 4xueB-5z6oA:
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 5 GLY A 183
TYR A 186
SER A 422
ILE A 179
ASN A 195
 None
 1.39A 4xueB-6brkA:
undetectable		 4xueB-6brkA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 GLY A 208
TYR A 266
ILE A 260
SER A 211
HIS A 209
 None
None
None
LLP  A 318 ( 3.8A)
LLP  A 318 (-3.5A)
 1.18A 4xueB-6cczA:
4.2		 4xueB-6cczA:
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.
6fmq -

(-) 		no annotation 5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.27A 4xueB-6fmqA:
undetectable		 4xueB-6fmqA:
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.
6grw -

(-) 		no annotation 5 VAL A 238
GLY A 202
ILE A 160
SER A 156
TRP A 159
 None
 1.44A 4xueB-6grwA:
undetectable		 4xueB-6grwA:
undetectable