SIMILAR PATTERNS OF AMINO ACIDS FOR 2QX4_A_ML1A233_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 ILE A   5
PHE A 246
GLY A 261
GLY A 262
 None
 0.75A 2qx4A-1b0aA:
4.7
2qx4B-1b0aA:
4.8		 2qx4A-1b0aA:
22.30
2qx4B-1b0aA:
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.
1cyn PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
B

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE A  30
PHE A  44
GLY A  72
GLY A  73
 None
 0.76A 2qx4A-1cynA:
undetectable
2qx4B-1cynA:
undetectable		 2qx4A-1cynA:
23.21
2qx4B-1cynA:
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		4 ILE A  79
GLY A  64
GLY A  63
MET A  87
 None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.9A)
None
 0.79A 2qx4A-1eizA:
2.3
2qx4B-1eizA:
2.7		 2qx4A-1eizA:
23.35
2qx4B-1eizA:
23.35
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.
1i9i RECOMBINANT
MONOCLONAL
ANTI-TESTOSTERONE
FAB FRAGMENT HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE H  29
ILE H  73
GLY H  55
GLY H  54
 None
 0.74A 2qx4A-1i9iH:
undetectable
2qx4B-1i9iH:
undetectable		 2qx4A-1i9iH:
25.40
2qx4B-1i9iH:
25.40
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 PHE A 107
ILE A  84
PHE A 130
GLY A 119
 None
 0.87A 2qx4A-1ia5A:
undetectable
2qx4B-1ia5A:
undetectable		 2qx4A-1ia5A:
21.23
2qx4B-1ia5A:
21.23
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 PHE A 107
ILE A  84
PHE A 130
GLY A 119
 None
 0.88A 2qx4A-1ia5A:
undetectable
2qx4B-1ia5A:
undetectable		 2qx4A-1ia5A:
21.23
2qx4B-1ia5A:
21.23
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.
1ist CYCLOPHILIN A

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
GLY A  63
 None
 0.78A 2qx4A-1istA:
undetectable
2qx4B-1istA:
undetectable		 2qx4A-1istA:
22.07
2qx4B-1istA:
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		4 ILE A 192
PHE A 141
GLY A 176
GLY A 175
 None
 0.89A 2qx4A-1jjfA:
undetectable
2qx4B-1jjfA:
undetectable		 2qx4A-1jjfA:
19.16
2qx4B-1jjfA:
19.16
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.
1mfa IGG1-LAMBDA SE155-4
FAB (HEAVY CHAIN)
IGG1-LAMBDA SE155-4
FAB (LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 PHE H 309
TRP L  93
GLY H 350
GLY H 349
 ABE  H 503 ( 4.3A)
ABE  H 503 (-3.6A)
None
None
 0.84A 2qx4A-1mfaH:
undetectable
2qx4B-1mfaH:
undetectable		 2qx4A-1mfaH:
20.79
2qx4B-1mfaH:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 PHE A 225
ILE A 237
GLY A 244
GLY A 245
 None
 0.79A 2qx4A-1narA:
undetectable
2qx4B-1narA:
undetectable		 2qx4A-1narA:
20.07
2qx4B-1narA:
20.07
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		4 PHE B 196
ILE B 189
GLY B 161
GLY B 162
 None
 0.71A 2qx4A-1pjmB:
undetectable
2qx4B-1pjmB:
undetectable		 2qx4A-1pjmB:
21.00
2qx4B-1pjmB:
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.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 PHE A 523
ILE A 550
GLY A 571
GLY A 570
 None
 0.90A 2qx4A-1qasA:
undetectable
2qx4B-1qasA:
undetectable		 2qx4A-1qasA:
17.34
2qx4B-1qasA:
17.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 PHE A 106
GLY A 149
GLY A 150
MET A 154
 FAD  A 501 (-3.9A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
 0.56A 2qx4A-1qbgA:
32.8
2qx4B-1qbgA:
32.9		 2qx4A-1qbgA:
40.07
2qx4B-1qbgA:
40.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
PHE A 106
GLY A 149
GLY A 150
MET A 154
 DQN  A 276 ( 3.6A)
DQN  A 276 ( 4.2A)
CBD  A 275 ( 3.7A)
FAD  A 274 (-3.7A)
CBD  A 275 ( 4.4A)
 0.46A 2qx4A-1qrdA:
29.7
2qx4B-1qrdA:
29.7		 2qx4A-1qrdA:
41.88
2qx4B-1qrdA:
41.88
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		4 ILE A  81
PHE A 117
GLY A  12
GLY A  11
 None
 0.84A 2qx4A-1qydA:
7.6
2qx4B-1qydA:
7.8		 2qx4A-1qydA:
22.29
2qx4B-1qydA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sg3 ALLANTOICASE

(Saccharomyces
cerevisiae) 		PF03561
(Allantoicase) 		4 ILE A 165
PHE A 141
GLY A  97
GLY A  98
 None
 0.82A 2qx4A-1sg3A:
undetectable
2qx4B-1sg3A:
undetectable		 2qx4A-1sg3A:
23.23
2qx4B-1sg3A:
23.23
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 PHE P 348
ILE P 269
PHE P 285
GLY P 266
 None
 0.87A 2qx4A-1svcP:
undetectable
2qx4B-1svcP:
undetectable		 2qx4A-1svcP:
21.25
2qx4B-1svcP:
21.25
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		4 ILE A 327
PHE A 336
GLY A 231
GLY A 232
 None
 0.81A 2qx4A-1thgA:
2.6
2qx4B-1thgA:
undetectable		 2qx4A-1thgA:
19.60
2qx4B-1thgA:
19.60
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.
1um7 SYNAPSE-ASSOCIATED
PROTEIN 102

(Homo sapiens) 		PF00595
(PDZ) 		4 PHE A  42
ILE A  41
PHE A 105
GLY A  38
 None
 0.88A 2qx4A-1um7A:
undetectable
2qx4B-1um7A:
undetectable		 2qx4A-1um7A:
20.96
2qx4B-1um7A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		4 ILE A 141
PHE A 200
GLY A 138
GLY A 137
 None
 0.82A 2qx4A-1x0uA:
2.6
2qx4B-1x0uA:
2.3		 2qx4A-1x0uA:
17.77
2qx4B-1x0uA:
17.77
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 PHE A 198
PHE A 200
GLY A 142
GLY A 143
 None
None
None
FAD  A 501 ( 3.9A)
 0.80A 2qx4A-1zr6A:
undetectable
2qx4B-1zr6A:
undetectable		 2qx4A-1zr6A:
18.90
2qx4B-1zr6A:
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.
2b71 CYCLOPHILIN-LIKE
PROTEIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		4 ILE A  43
PHE A  66
GLY A  91
GLY A  92
 None
 0.80A 2qx4A-2b71A:
undetectable
2qx4B-2b71A:
undetectable		 2qx4A-2b71A:
23.05
2qx4B-2b71A:
23.05
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.
2e55 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF14681
(UPRTase) 		4 ILE A  75
PHE A 171
GLY A 134
GLY A 135
 None
None
SO4  A1301 (-3.5A)
SO4  A1301 (-3.6A)
 0.86A 2qx4A-2e55A:
2.4
2qx4B-2e55A:
3.5		 2qx4A-2e55A:
23.55
2qx4B-2e55A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 PHE A 348
ILE A 247
PHE A 344
GLY A 252
 None
HEA  A 516 (-3.6A)
None
None
 0.91A 2qx4A-2eijA:
undetectable
2qx4B-2eijA:
undetectable		 2qx4A-2eijA:
16.90
2qx4B-2eijA:
16.90
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.
2he9 NK-TUMOR RECOGNITION
PROTEIN

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE A  25
PHE A  39
GLY A  75
GLY A  76
 None
 0.74A 2qx4A-2he9A:
undetectable
2qx4B-2he9A:
undetectable		 2qx4A-2he9A:
21.05
2qx4B-2he9A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 271
ILE A 267
PHE A 291
GLY A 114
 None
 0.80A 2qx4A-2ifyA:
undetectable
2qx4B-2ifyA:
3.0		 2qx4A-2ifyA:
19.09
2qx4B-2ifyA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		4 PHE A 126
ILE A 103
PHE A 149
GLY A 138
 None
 0.90A 2qx4A-2iq7A:
undetectable
2qx4B-2iq7A:
undetectable		 2qx4A-2iq7A:
20.41
2qx4B-2iq7A:
20.41
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.
2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT
PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01174
(SNO)
PF01680
(SOR_SNZ) 		4 ILE D  82
PHE A  14
GLY D  45
GLY D  46
 None
 0.78A 2qx4A-2issD:
4.3
2qx4B-2issD:
4.8		 2qx4A-2issD:
23.55
2qx4B-2issD:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mvz PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Geobacillus
kaustophilus) 		PF00160
(Pro_isomerase) 		4 ILE A   7
PHE A  31
GLY A  56
GLY A  57
 None
 0.56A 2qx4A-2mvzA:
undetectable
2qx4B-2mvzA:
undetectable		 2qx4A-2mvzA:
21.74
2qx4B-2mvzA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		4 ILE A  21
PHE A  44
GLY A  69
GLY A  70
 None
 0.76A 2qx4A-2poeA:
undetectable
2qx4B-2poeA:
undetectable		 2qx4A-2poeA:
22.92
2qx4B-2poeA:
22.92
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.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		4 PHE A  30
ILE A  21
GLY A  69
GLY A  70
 None
 0.77A 2qx4A-2poeA:
undetectable
2qx4B-2poeA:
undetectable		 2qx4A-2poeA:
22.92
2qx4B-2poeA:
22.92
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.
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE A  26
PHE A  40
GLY A  76
GLY A  77
 None
None
OCS  A  63 ( 4.5A)
OCS  A  63 ( 3.2A)
 0.70A 2qx4A-2wfiA:
undetectable
2qx4B-2wfiA:
undetectable		 2qx4A-2wfiA:
24.57
2qx4B-2wfiA:
24.57
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		4 PHE A 271
ILE A 331
TRP A  95
GLY A 236
 None
 0.89A 2qx4A-2x5fA:
2.8
2qx4B-2x5fA:
2.7		 2qx4A-2x5fA:
19.86
2qx4B-2x5fA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ILE A 885
PHE A 874
GLY A 398
GLY A 397
 None
 0.76A 2qx4A-2y8nA:
undetectable
2qx4B-2y8nA:
undetectable		 2qx4A-2y8nA:
13.60
2qx4B-2y8nA:
13.60
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.
3blz NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Shewanella
baltica) 		PF12893
(Lumazine_bd_2) 		4 PHE A 105
PHE A  60
GLY A  24
GLY A  23
 None
 0.88A 2qx4A-3blzA:
undetectable
2qx4B-3blzA:
undetectable		 2qx4A-3blzA:
22.28
2qx4B-3blzA:
22.28
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.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		4 ILE A  11
PHE A  34
GLY A  59
GLY A  60
 None
 0.70A 2qx4A-3bo7A:
undetectable
2qx4B-3bo7A:
undetectable		 2qx4A-3bo7A:
25.31
2qx4B-3bo7A:
25.31
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 PHE A 258
ILE A 259
GLY A 860
GLY A 859
 None
 0.89A 2qx4A-3ddrA:
undetectable
2qx4B-3ddrA:
undetectable		 2qx4A-3ddrA:
14.07
2qx4B-3ddrA:
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.
3fcy XYLAN ESTERASE 1

(Thermoanaerobacterium
saccharolyticum) 		PF05448
(AXE1) 		4 PHE A 151
PHE A 155
GLY A 184
GLY A 185
 None
 0.88A 2qx4A-3fcyA:
2.3
2qx4B-3fcyA:
3.4		 2qx4A-3fcyA:
20.11
2qx4B-3fcyA:
20.11
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.
3fd9 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF16806
(ExsD) 		4 ILE A 120
PHE A 229
TRP A 240
GLY A 224
 None
 0.84A 2qx4A-3fd9A:
undetectable
2qx4B-3fd9A:
undetectable		 2qx4A-3fd9A:
21.55
2qx4B-3fd9A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ILE A 260
PHE A 387
GLY A 463
GLY A 462
 None
 0.80A 2qx4A-3gdnA:
undetectable
2qx4B-3gdnA:
2.9		 2qx4A-3gdnA:
18.67
2qx4B-3gdnA:
18.67
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		4 PHE A 225
PHE A 210
GLY A 219
GLY A 218
 None
 0.75A 2qx4A-3godA:
undetectable
2qx4B-3godA:
undetectable		 2qx4A-3godA:
23.88
2qx4B-3godA:
23.88
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		4 PHE A 243
ILE A 207
GLY A 167
GLY A 168
 None
None
None
ATP  A 301 (-3.4A)
 0.75A 2qx4A-3h1qA:
undetectable
2qx4B-3h1qA:
undetectable		 2qx4A-3h1qA:
20.98
2qx4B-3h1qA:
20.98
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.
3j5y EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Homo sapiens) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 PHE A 291
ILE A 294
GLY A 410
GLY A 411
 None
 0.88A 2qx4A-3j5yA:
undetectable
2qx4B-3j5yA:
undetectable		 2qx4A-3j5yA:
20.14
2qx4B-3j5yA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jv4 NUCLEAR FACTOR
NF-KAPPA-B P105
SUBUNIT

(Mus musculus) 		PF16179
(RHD_dimer) 		4 PHE B 345
ILE B 266
PHE B 282
GLY B 263
 None
 0.89A 2qx4A-3jv4B:
undetectable
2qx4B-3jv4B:
undetectable		 2qx4A-3jv4B:
22.86
2qx4B-3jv4B:
22.86
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		4 ILE A 740
PHE A 773
GLY A 690
GLY A 691
 None
 0.68A 2qx4A-3nawA:
undetectable
2qx4B-3nawA:
undetectable		 2qx4A-3nawA:
17.43
2qx4B-3nawA:
17.43
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		4 PHE A 731
ILE A 740
GLY A 690
GLY A 691
 None
 0.50A 2qx4A-3nawA:
undetectable
2qx4B-3nawA:
undetectable		 2qx4A-3nawA:
17.43
2qx4B-3nawA:
17.43
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.
3nrk LIC12922

(Leptospira
interrogans) 		PF13145
(Rotamase_2)
PF13624
(SurA_N_3) 		4 ILE A 197
PHE A 235
GLY A 280
GLY A 281
 None
 0.82A 2qx4A-3nrkA:
undetectable
2qx4B-3nrkA:
undetectable		 2qx4A-3nrkA:
19.88
2qx4B-3nrkA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppi 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE-2

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ILE A  12
PHE A 230
GLY A  16
GLY A  15
 None
None
None
GOL  A 302 ( 3.3A)
 0.82A 2qx4A-3ppiA:
5.6
2qx4B-3ppiA:
5.4		 2qx4A-3ppiA:
21.77
2qx4B-3ppiA:
21.77
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 PHE A 265
PHE A 249
GLY A 243
MET A 206
 MLI  A 601 (-4.8A)
None
ATP  A 600 (-3.3A)
None
 0.90A 2qx4A-3q60A:
undetectable
2qx4B-3q60A:
undetectable		 2qx4A-3q60A:
20.43
2qx4B-3q60A:
20.43
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.
3qpi CHLORITE DISMUTASE

(Nitrobacter
winogradskyi) 		PF06778
(Chlor_dismutase) 		4 PHE A 145
ILE A  88
PHE A 155
GLY A 160
 HEM  A1001 (-3.9A)
HEM  A1001 ( 4.0A)
None
None
 0.83A 2qx4A-3qpiA:
undetectable
2qx4B-3qpiA:
undetectable		 2qx4A-3qpiA:
21.43
2qx4B-3qpiA:
21.43
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ILE A 261
PHE A 388
GLY A 464
GLY A 463
 None
 0.77A 2qx4A-3redA:
2.0
2qx4B-3redA:
undetectable		 2qx4A-3redA:
16.67
2qx4B-3redA:
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.
3rsc CALG2

(Micromonospora
echinospora) 		PF04101
(Glyco_tran_28_C) 		4 ILE A  15
TRP A 285
GLY A  39
GLY A  38
 None
None
PO4  A 401 (-3.5A)
PO4  A 401 ( 3.8A)
 0.81A 2qx4A-3rscA:
4.3
2qx4B-3rscA:
4.5		 2qx4A-3rscA:
21.48
2qx4B-3rscA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		4 PHE A 296
ILE A 286
GLY A 265
GLY A 264
 EDO  A 401 ( 4.4A)
None
None
None
 0.88A 2qx4A-3tc8A:
2.2
2qx4B-3tc8A:
undetectable		 2qx4A-3tc8A:
22.33
2qx4B-3tc8A:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
PHE A 106
GLY A 149
GLY A 150
MET A 154
 FAD  A 232 ( 4.3A)
FAD  A 232 ( 4.6A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
 0.15A 2qx4A-3te7A:
39.6
2qx4B-3te7A:
38.9		 2qx4A-3te7A:
100.00
2qx4B-3te7A:
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		4 ILE A 140
PHE A 125
GLY A 135
GLY A 134
 None
 0.77A 2qx4A-3v6aA:
undetectable
2qx4B-3v6aA:
undetectable		 2qx4A-3v6aA:
19.58
2qx4B-3v6aA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ILE A  99
PHE A 167
GLY A  13
MET A 110
 None
 0.81A 2qx4A-3w8sA:
undetectable
2qx4B-3w8sA:
undetectable		 2qx4A-3w8sA:
22.92
2qx4B-3w8sA:
22.92
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		4 PHE A 108
TRP A 104
GLY A 365
GLY A 366
 None
None
CL  A1432 (-4.2A)
None
 0.91A 2qx4A-4ap5A:
2.7
2qx4B-4ap5A:
2.7		 2qx4A-4ap5A:
20.19
2qx4B-4ap5A:
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.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		4 PHE A 106
ILE A 108
PHE A 191
GLY A 176
 None
 0.66A 2qx4A-4au7A:
undetectable
2qx4B-4au7A:
undetectable		 2qx4A-4au7A:
23.68
2qx4B-4au7A:
23.68
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 PHE A 674
ILE A 681
PHE A 583
TRP A 494
 None
 0.90A 2qx4A-4c4aA:
undetectable
2qx4B-4c4aA:
undetectable		 2qx4A-4c4aA:
15.72
2qx4B-4c4aA:
15.72
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		4 PHE A  91
PHE A  92
GLY A  42
GLY A  43
 None
 0.62A 2qx4A-4doiA:
undetectable
2qx4B-4doiA:
undetectable		 2qx4A-4doiA:
25.55
2qx4B-4doiA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ei8 PLASMID REPLICATION
PROTEIN REPX

(Bacillus cereus) 		PF00091
(Tubulin) 		4 PHE A  60
ILE A  63
GLY A  27
GLY A  26
 None
 0.84A 2qx4A-4ei8A:
4.5
2qx4B-4ei8A:
6.0		 2qx4A-4ei8A:
20.78
2qx4B-4ei8A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 207
PHE A 295
GLY A 121
GLY A 122
 None
 0.83A 2qx4A-4eutA:
undetectable
2qx4B-4eutA:
undetectable		 2qx4A-4eutA:
19.70
2qx4B-4eutA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 PHE A 191
PHE A 192
TRP A 209
GLY A 146
 None
 0.88A 2qx4A-4gl3A:
undetectable
2qx4B-4gl3A:
undetectable		 2qx4A-4gl3A:
18.31
2qx4B-4gl3A:
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 PHE A 327
ILE A 360
GLY A 353
GLY A 352
 None
None
ATP  A 502 (-3.2A)
ATP  A 502 (-3.4A)
 0.88A 2qx4A-4gniA:
undetectable
2qx4B-4gniA:
undetectable		 2qx4A-4gniA:
20.34
2qx4B-4gniA:
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.
4gxh PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Xenorhabdus
bovienii) 		PF01470
(Peptidase_C15) 		4 PHE A 141
ILE A  91
GLY A  13
GLY A  14
 None
 0.74A 2qx4A-4gxhA:
3.7
2qx4B-4gxhA:
4.3		 2qx4A-4gxhA:
23.05
2qx4B-4gxhA:
23.05
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 ILE B 309
PHE B 224
GLY B 170
GLY B 171
 None
PYC  B 904 ( 4.8A)
None
None
 0.76A 2qx4A-4k7gB:
undetectable
2qx4B-4k7gB:
undetectable		 2qx4A-4k7gB:
20.71
2qx4B-4k7gB:
20.71
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 PHE A3383
ILE A3344
PHE A3446
GLY A3363
 None
 0.89A 2qx4A-4kc5A:
undetectable
2qx4B-4kc5A:
undetectable		 2qx4A-4kc5A:
13.43
2qx4B-4kc5A:
13.43
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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		4 PHE A 335
ILE A 261
PHE A 342
GLY A 348
 None
 0.90A 2qx4A-4kq7A:
undetectable
2qx4B-4kq7A:
undetectable		 2qx4A-4kq7A:
20.00
2qx4B-4kq7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE) 		4 ILE B 306
PHE B 341
GLY B 300
GLY B 299
 None
 0.84A 2qx4A-4p6vB:
undetectable
2qx4B-4p6vB:
undetectable		 2qx4A-4p6vB:
20.05
2qx4B-4p6vB:
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.
4qpw GLYCOSYL HYDROLASE
FAMILY 10

(Bacteroides
intestinalis) 		no annotation 4 ILE A 297
PHE A 270
GLY A 277
GLY A 276
 None
 0.87A 2qx4A-4qpwA:
undetectable
2qx4B-4qpwA:
undetectable		 2qx4A-4qpwA:
20.09
2qx4B-4qpwA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3f SPLICEOSOMAL PROTEIN
CWC27

(Chaetomium
thermophilum) 		PF00160
(Pro_isomerase) 		4 ILE A  17
PHE A  40
GLY A  65
GLY A  66
 None
 0.79A 2qx4A-4r3fA:
undetectable
2qx4B-4r3fA:
undetectable		 2qx4A-4r3fA:
23.79
2qx4B-4r3fA:
23.79
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.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		4 ILE A 284
GLY A 207
GLY A 206
MET A 230
 None
 0.90A 2qx4A-4tm3A:
3.4
2qx4B-4tm3A:
3.5		 2qx4A-4tm3A:
18.58
2qx4B-4tm3A:
18.58
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 PHE A 465
GLY A 459
GLY A 460
MET A 564
 None
 0.82A 2qx4A-4wd9A:
undetectable
2qx4B-4wd9A:
undetectable		 2qx4A-4wd9A:
11.56
2qx4B-4wd9A:
11.56
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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ILE A 213
PHE A 105
GLY A 207
GLY A 206
 None
 0.87A 2qx4A-4xeaA:
undetectable
2qx4B-4xeaA:
undetectable		 2qx4A-4xeaA:
20.32
2qx4B-4xeaA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		4 ILE A 304
PHE A  53
GLY A  62
GLY A  63
 None
CL  A 603 ( 4.8A)
None
None
 0.90A 2qx4A-4xnuA:
undetectable
2qx4B-4xnuA:
undetectable		 2qx4A-4xnuA:
18.75
2qx4B-4xnuA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		4 PHE A  39
PHE A  46
GLY A  26
GLY A  27
 None
None
None
HEM  A 501 (-3.5A)
 0.90A 2qx4A-4xydA:
undetectable
2qx4B-4xydA:
undetectable		 2qx4A-4xydA:
19.70
2qx4B-4xydA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		4 PHE A 227
GLY A 302
GLY A 301
MET A 251
 None
 0.89A 2qx4A-4yyfA:
undetectable
2qx4B-4yyfA:
undetectable		 2qx4A-4yyfA:
22.46
2qx4B-4yyfA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ILE A 525
PHE A 552
GLY A 678
GLY A 679
 None
 0.82A 2qx4A-5a22A:
2.3
2qx4B-5a22A:
2.4		 2qx4A-5a22A:
7.94
2qx4B-5a22A:
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 PHE A 317
ILE A 348
PHE A 572
GLY A 294
 None
 0.78A 2qx4A-5c70A:
undetectable
2qx4B-5c70A:
undetectable		 2qx4A-5c70A:
17.97
2qx4B-5c70A:
17.97
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.
5ejb FUSION GLYCOPROTEIN
F0

(Hendra
henipavirus) 		no annotation 4 ILE B  59
PHE B 214
GLY B 236
GLY B 237
 None
 0.76A 2qx4A-5ejbB:
undetectable
2qx4B-5ejbB:
undetectable		 2qx4A-5ejbB:
18.15
2qx4B-5ejbB:
18.15
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.
5evm FUSION GLYCOPROTEIN
F0

(Nipah
henipavirus) 		PF00523
(Fusion_gly) 		4 ILE A  59
PHE A 214
GLY A 236
GLY A 237
 None
None
MLI  A 611 ( 4.5A)
None
 0.73A 2qx4A-5evmA:
undetectable
2qx4B-5evmA:
undetectable		 2qx4A-5evmA:
17.51
2qx4B-5evmA:
17.51
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.
5ex1 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN TYPE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		4 ILE A  40
PHE A  63
GLY A  88
GLY A  89
 None
 0.62A 2qx4A-5ex1A:
undetectable
2qx4B-5ex1A:
undetectable		 2qx4A-5ex1A:
22.92
2qx4B-5ex1A:
22.92
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		4 PHE A 332
ILE A 346
GLY A 291
GLY A 292
 MPG  A 614 (-4.0A)
None
MPG  A 625 ( 3.7A)
MPG  A 603 ( 4.3A)
 0.85A 2qx4A-5f15A:
undetectable
2qx4B-5f15A:
undetectable		 2qx4A-5f15A:
17.19
2qx4B-5f15A:
17.19
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.
5h4u ENDO-BETA-1,4-GLUCAN
ASE

(Cryptopygus
antarcticus) 		PF02015
(Glyco_hydro_45) 		4 PHE A 178
ILE A 125
GLY A 152
GLY A 153
 None
 0.81A 2qx4A-5h4uA:
undetectable
2qx4B-5h4uA:
undetectable		 2qx4A-5h4uA:
22.75
2qx4B-5h4uA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		4 ILE A 252
PHE A 342
GLY A 238
GLY A 237
 None
 0.77A 2qx4A-5k1rA:
2.1
2qx4B-5k1rA:
undetectable		 2qx4A-5k1rA:
19.14
2qx4B-5k1rA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 PHE A 223
PHE A 225
GLY A 167
GLY A 168
 None
None
None
FAD  A 501 (-3.5A)
 0.81A 2qx4A-5l6fA:
undetectable
2qx4B-5l6fA:
undetectable		 2qx4A-5l6fA:
19.08
2qx4B-5l6fA:
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.
5l7n PLEXIN-A1

(Mus musculus) 		PF01833
(TIG) 		4 ILE A1079
PHE A1142
GLY A1061
GLY A1060
 None
 0.90A 2qx4A-5l7nA:
undetectable
2qx4B-5l7nA:
undetectable		 2qx4A-5l7nA:
19.76
2qx4B-5l7nA:
19.76
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.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		4 PHE A 397
ILE A 412
PHE A 445
GLY A 460
 None
 0.89A 2qx4A-5lq4A:
undetectable
2qx4B-5lq4A:
undetectable		 2qx4A-5lq4A:
17.14
2qx4B-5lq4A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 PHE A 327
ILE A 360
GLY A 353
GLY A 352
 None
None
ATP  A 700 (-3.2A)
ATP  A 700 (-3.6A)
 0.90A 2qx4A-5mb9A:
undetectable
2qx4B-5mb9A:
undetectable		 2qx4A-5mb9A:
17.07
2qx4B-5mb9A:
17.07
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		4 ILE A 338
PHE A 145
GLY A 187
GLY A 188
 None
 0.83A 2qx4A-5mifA:
3.1
2qx4B-5mifA:
3.6		 2qx4A-5mifA:
21.84
2qx4B-5mifA:
21.84
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.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 489
TRP A 444
GLY A 435
GLY A 434
 None
 0.80A 2qx4A-5nclA:
undetectable
2qx4B-5nclA:
undetectable		 2qx4A-5nclA:
16.96
2qx4B-5nclA:
16.96
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.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 PHE H  29
ILE H  73
GLY H  55
GLY H  54
 None
 0.74A 2qx4A-5uemH:
undetectable
2qx4B-5uemH:
undetectable		 2qx4A-5uemH:
16.07
2qx4B-5uemH:
16.07
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 273
ILE A 269
PHE A 292
GLY A 120
 None
 0.89A 2qx4A-5vpuA:
undetectable
2qx4B-5vpuA:
2.3		 2qx4A-5vpuA:
18.85
2qx4B-5vpuA:
18.85
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 4 ILE A 313
PHE A 407
GLY A 476
GLY A 477
 None
 0.90A 2qx4A-5wabA:
5.2
2qx4B-5wabA:
5.2		 2qx4A-5wabA:
14.29
2qx4B-5wabA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE G 355
ILE G 525
GLY G 501
GLY G 502
 None
 0.73A 2qx4A-5x6oG:
undetectable
2qx4B-5x6oG:
undetectable		 2qx4A-5x6oG:
14.78
2qx4B-5x6oG:
14.78
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.
5xhu FERREDOXIN--NADP
REDUCTASE

(Bacillus
subtilis) 		no annotation 4 ILE A 298
PHE A  50
GLY A  43
GLY A  44
 FAD  A1000 (-3.7A)
FAD  A1000 (-3.6A)
None
FAD  A1000 (-3.3A)
 0.81A 2qx4A-5xhuA:
undetectable
2qx4B-5xhuA:
undetectable		 2qx4A-5xhuA:
14.41
2qx4B-5xhuA:
14.41
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.
5yba PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Trichomonas
vaginalis) 		no annotation 4 PHE A  23
PHE A  37
GLY A  72
GLY A  73
 None
 0.75A 2qx4A-5ybaA:
undetectable
2qx4B-5ybaA:
undetectable		 2qx4A-5ybaA:
undetectable
2qx4B-5ybaA:
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.
5yy3 -

(-) 		no annotation 4 ILE A 288
TRP A 386
GLY A 318
GLY A 319
 None
 0.89A 2qx4A-5yy3A:
undetectable
2qx4B-5yy3A:
undetectable		 2qx4A-5yy3A:
undetectable
2qx4B-5yy3A:
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 4 PHE A 241
PHE A 243
GLY A 184
GLY A 185
 None
None
None
FAD  A 601 (-3.5A)
 0.73A 2qx4A-6eo5A:
undetectable
2qx4B-6eo5A:
undetectable		 2qx4A-6eo5A:
15.02
2qx4B-6eo5A:
15.02
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 PHE A2532
PHE A2453
TRP A2465
GLY A2423
 None
 0.78A 2qx4A-6fb3A:
undetectable
2qx4B-6fb3A:
undetectable		 2qx4A-6fb3A:
19.56
2qx4B-6fb3A:
19.56