SIMILAR PATTERNS OF AMINO ACIDS FOR 2QX6_A_ML1A233

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
 0.71A 2qx6A-1b0aA:
4.8
2qx6B-1b0aA:
4.8		 2qx6A-1b0aA:
22.30
2qx6B-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 2qx6A-1cynA:
undetectable
2qx6B-1cynA:
undetectable		 2qx6A-1cynA:
23.21
2qx6B-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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ILE A 301
PHE A 310
TRP A 229
GLY A 232
GLY A 386
 None
None
None
MGD  A5002 (-3.2A)
MGD  A5002 (-3.1A)
 1.25A 2qx6A-1g8kA:
undetectable
2qx6B-1g8kA:
2.5		 2qx6A-1g8kA:
14.95
2qx6B-1g8kA:
14.95
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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 PHE P   8
ILE P  11
GLY P 358
GLY P 357
 None
None
CA  P 505 (-4.3A)
CA  P 505 (-4.3A)
 0.72A 2qx6A-1h71P:
2.0
2qx6B-1h71P:
2.0		 2qx6A-1h71P:
17.72
2qx6B-1h71P:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hqr STREPTOCOCCAL
PYROGENIC EXOTOXIN C

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 ILE D 693
PHE D 563
GLY D 589
GLY D 588
 None
 0.84A 2qx6A-1hqrD:
undetectable
2qx6B-1hqrD:
undetectable		 2qx6A-1hqrD:
19.43
2qx6B-1hqrD:
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.
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
 0.79A 2qx6A-1i9iH:
undetectable
2qx6B-1i9iH:
undetectable		 2qx6A-1i9iH:
25.40
2qx6B-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.
1ist CYCLOPHILIN A

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
GLY A  63
 None
 0.78A 2qx6A-1istA:
undetectable
2qx6B-1istA:
undetectable		 2qx6A-1istA:
22.07
2qx6B-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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 PHE A1009
ILE A1085
GLY A1035
GLY A1034
 TEI  A3006 (-4.8A)
None
None
None
 0.78A 2qx6A-1n5xA:
undetectable
2qx6B-1n5xA:
undetectable		 2qx6A-1n5xA:
10.51
2qx6B-1n5xA:
10.51
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 PHE A 225
ILE A 237
GLY A 244
GLY A 245
 None
 0.81A 2qx6A-1narA:
2.1
2qx6B-1narA:
2.1		 2qx6A-1narA:
20.07
2qx6B-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
 0.72A 2qx6A-1pjmB:
undetectable
2qx6B-1pjmB:
undetectable		 2qx6A-1pjmB:
21.00
2qx6B-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.
1qnh PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		4 PHE A  23
PHE A  37
GLY A  71
GLY A  72
 None
 0.77A 2qx6A-1qnhA:
undetectable
2qx6B-1qnhA:
undetectable		 2qx6A-1qnhA:
21.76
2qx6B-1qnhA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		4 ILE A  81
PHE A 117
GLY A  12
GLY A  11
 None
 0.81A 2qx6A-1qydA:
7.8
2qx6B-1qydA:
5.4		 2qx6A-1qydA:
22.29
2qx6B-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.
1vkx PROTEIN (NF-KAPPA B
P50 SUBUNIT)

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 PHE B 645
ILE B 566
PHE B 582
GLY B 562
GLY B 563
 None
 1.43A 2qx6A-1vkxB:
undetectable
2qx6B-1vkxB:
undetectable		 2qx6A-1vkxB:
23.27
2qx6B-1vkxB:
23.27
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.
1vp4 AMINOTRANSFERASE,
PUTATIVE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		4 ILE A  21
PHE A 370
GLY A  38
GLY A  37
 EDO  A 604 (-4.4A)
None
EDO  A 604 ( 3.1A)
FMT  A 607 (-4.6A)
 0.83A 2qx6A-1vp4A:
2.9
2qx6B-1vp4A:
2.9		 2qx6A-1vp4A:
19.91
2qx6B-1vp4A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp. WS) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 306
ILE A 327
GLY A 320
GLY A 319
 PHE  A 306 ( 1.3A)
ILE  A 327 ( 0.6A)
GLY  A 320 ( 0.0A)
GLY  A 319 ( 0.0A)
 0.81A 2qx6A-1wlyA:
3.4
2qx6B-1wlyA:
3.4		 2qx6A-1wlyA:
24.24
2qx6B-1wlyA:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		4 PHE A  59
PHE A  73
GLY A 106
GLY A 107
 None
 0.82A 2qx6A-1z81A:
undetectable
2qx6B-1z81A:
undetectable		 2qx6A-1z81A:
20.16
2qx6B-1z81A:
20.16
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.
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)
 0.82A 2qx6A-1zr6A:
undetectable
2qx6B-1zr6A:
undetectable		 2qx6A-1zr6A:
18.90
2qx6B-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.
2cfe ALLERGEN

(Malassezia
sympodialis) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
GLY A  63
 None
 0.82A 2qx6A-2cfeA:
undetectable
2qx6B-2cfeA:
undetectable		 2qx6A-2cfeA:
21.24
2qx6B-2cfeA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		4 ILE A 173
PHE A 226
GLY A 258
GLY A 257
 None
 0.81A 2qx6A-2cn3A:
undetectable
2qx6B-2cn3A:
undetectable		 2qx6A-2cn3A:
15.10
2qx6B-2cn3A:
15.10
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PHE A 278
ILE A 267
PHE A 228
GLY A 322
GLY A 321
 COA  A 500 (-4.8A)
COA  A 500 ( 4.2A)
None
COA  A 500 (-3.2A)
COA  A 500 (-4.0A)
 1.14A 2qx6A-2d52A:
undetectable
2qx6B-2d52A:
undetectable		 2qx6A-2d52A:
19.85
2qx6B-2d52A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		4 ILE A 382
PHE A 154
GLY A 371
GLY A 372
 None
 0.84A 2qx6A-2g85A:
undetectable
2qx6B-2g85A:
undetectable		 2qx6A-2g85A:
21.16
2qx6B-2g85A:
21.16
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.
2gj2 WSV230

(White spot
syndrome virus) 		PF09625
(VP9) 		4 PHE A  27
PHE A  53
GLY A  57
GLY A  58
 None
 0.83A 2qx6A-2gj2A:
undetectable
2qx6B-2gj2A:
undetectable		 2qx6A-2gj2A:
18.39
2qx6B-2gj2A:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2he9 NK-TUMOR RECOGNITION
PROTEIN

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE A  25
PHE A  39
GLY A  75
GLY A  76
 None
 0.73A 2qx6A-2he9A:
undetectable
2qx6B-2he9A:
undetectable		 2qx6A-2he9A:
21.05
2qx6B-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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		5 PHE A 304
ILE A 200
PHE A 212
GLY A 181
GLY A 180
 None
None
None
None
SO4  A 702 (-2.7A)
 1.35A 2qx6A-2i7gA:
undetectable
2qx6B-2i7gA:
undetectable		 2qx6A-2i7gA:
19.95
2qx6B-2i7gA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 2qx6A-2ifyA:
4.2
2qx6B-2ifyA:
3.0		 2qx6A-2ifyA:
19.09
2qx6B-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.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 PHE A 133
ILE A  56
PHE A  73
GLY A 172
GLY A 173
 None
 1.26A 2qx6A-2jtyA:
undetectable
2qx6B-2jtyA:
undetectable		 2qx6A-2jtyA:
24.88
2qx6B-2jtyA:
24.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2liv LEUCINE

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		4 PHE A 182
ILE A 209
GLY A 201
GLY A 200
 None
 0.83A 2qx6A-2livA:
4.1
2qx6B-2livA:
3.0		 2qx6A-2livA:
20.69
2qx6B-2livA:
20.69
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.
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
 0.61A 2qx6A-2mvzA:
undetectable
2qx6B-2mvzA:
undetectable		 2qx6A-2mvzA:
21.74
2qx6B-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
 0.77A 2qx6A-2poeA:
undetectable
2qx6B-2poeA:
undetectable		 2qx6A-2poeA:
22.92
2qx6B-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
 0.76A 2qx6A-2poeA:
undetectable
2qx6B-2poeA:
undetectable		 2qx6A-2poeA:
22.92
2qx6B-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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		4 PHE A 302
ILE A 343
GLY A 230
GLY A 229
 None
ADP  A1383 ( 4.9A)
ADP  A1383 (-3.6A)
None
 0.84A 2qx6A-2v7zA:
undetectable
2qx6B-2v7zA:
undetectable		 2qx6A-2v7zA:
18.38
2qx6B-2v7zA:
18.38
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.
2vd5 DMPK PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 183
TRP A 344
GLY A 329
GLY A 326
 None
 0.78A 2qx6A-2vd5A:
undetectable
2qx6B-2vd5A:
undetectable		 2qx6A-2vd5A:
20.71
2qx6B-2vd5A:
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.
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 2qx6A-2wfiA:
undetectable
2qx6B-2wfiA:
undetectable		 2qx6A-2wfiA:
24.57
2qx6B-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.
2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE B  22
PHE B  36
GLY B  64
GLY B  65
 None
 0.79A 2qx6A-2x25B:
undetectable
2qx6B-2x25B:
undetectable		 2qx6A-2x25B:
22.71
2qx6B-2x25B:
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.
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
 0.73A 2qx6A-2y8nA:
undetectable
2qx6B-2y8nA:
undetectable		 2qx6A-2y8nA:
13.60
2qx6B-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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 ILE A 257
PHE A 125
GLY A 267
GLY A 268
 None
 0.74A 2qx6A-3b74A:
undetectable
2qx6B-3b74A:
undetectable		 2qx6A-3b74A:
20.37
2qx6B-3b74A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.74A 2qx6A-3bo7A:
undetectable
2qx6B-3bo7A:
undetectable		 2qx6A-3bo7A:
25.31
2qx6B-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.
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
 0.81A 2qx6A-3gdnA:
3.0
2qx6B-3gdnA:
2.7		 2qx6A-3gdnA:
18.67
2qx6B-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.
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 2qx6A-3h1qA:
undetectable
2qx6B-3h1qA:
undetectable		 2qx6A-3h1qA:
20.98
2qx6B-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.
3h32 FIBRINOGEN ALPHA
CHAIN
FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 ILE A 156
TRP B 317
GLY B 434
GLY B 414
 None
 0.77A 2qx6A-3h32A:
undetectable
2qx6B-3h32A:
undetectable		 2qx6A-3h32A:
19.69
2qx6B-3h32A:
19.69
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.
3k3p D-ALANINE--D-ALANINE
LIGASE

(Streptococcus
mutans) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ILE A 103
PHE A  49
GLY A  12
GLY A  11
 None
 0.82A 2qx6A-3k3pA:
3.3
2qx6B-3k3pA:
3.3		 2qx6A-3k3pA:
19.95
2qx6B-3k3pA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 4 PHE A 211
ILE A 281
GLY A 275
GLY A 274
 None
 0.82A 2qx6A-3kwlA:
undetectable
2qx6B-3kwlA:
undetectable		 2qx6A-3kwlA:
19.10
2qx6B-3kwlA:
19.10
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 PHE A 325
ILE A 327
PHE A 342
GLY A 352
GLY A 354
 None
None
FAD  A 400 (-4.8A)
None
None
 1.15A 2qx6A-3m0oA:
2.2
2qx6B-3m0oA:
undetectable		 2qx6A-3m0oA:
23.12
2qx6B-3m0oA:
23.12
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.
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
 0.49A 2qx6A-3nawA:
undetectable
2qx6B-3nawA:
undetectable		 2qx6A-3nawA:
17.43
2qx6B-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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 ILE A 339
PHE A 271
GLY A 312
GLY A 311
 None
None
SO4  A 701 (-4.2A)
SO4  A 701 ( 3.8A)
 0.84A 2qx6A-3nzqA:
undetectable
2qx6B-3nzqA:
undetectable		 2qx6A-3nzqA:
15.90
2qx6B-3nzqA:
15.90
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
GLY A  63
 None
 0.79A 2qx6A-3o7tA:
undetectable
2qx6B-3o7tA:
undetectable		 2qx6A-3o7tA:
24.14
2qx6B-3o7tA:
24.14
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.
3oa0 LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WBPB

(Thermus
thermophilus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 PHE A 187
ILE A 184
GLY A 177
GLY A 176
 None
 0.82A 2qx6A-3oa0A:
4.0
2qx6B-3oa0A:
4.8		 2qx6A-3oa0A:
24.46
2qx6B-3oa0A:
24.46
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.
3odh OKRAI ENDONUCLEASE

(Oceanobacter
kriegii) 		PF02923
(BamHI) 		5 PHE A  96
ILE A 125
TRP A  68
GLY A  92
GLY A  93
 None
 1.41A 2qx6A-3odhA:
undetectable
2qx6B-3odhA:
undetectable		 2qx6A-3odhA:
23.14
2qx6B-3odhA:
23.14
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.
3oov METHYL-ACCEPTING
CHEMOTAXIS PROTEIN,
PUTATIVE

(Geobacter
sulfurreducens) 		PF13185
(GAF_2) 		4 PHE A 112
ILE A 114
GLY A  71
GLY A  70
 GOL  A 167 (-3.9A)
None
None
None
 0.73A 2qx6A-3oovA:
undetectable
2qx6B-3oovA:
undetectable		 2qx6A-3oovA:
21.15
2qx6B-3oovA:
21.15
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		4 PHE A 121
ILE A  59
PHE A 148
GLY A 244
 None
 0.75A 2qx6A-3r89A:
undetectable
2qx6B-3r89A:
undetectable		 2qx6A-3r89A:
24.26
2qx6B-3r89A:
24.26
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.
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
 0.79A 2qx6A-3redA:
2.4
2qx6B-3redA:
2.4		 2qx6A-3redA:
16.67
2qx6B-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 2qx6A-3rscA:
4.3
2qx6B-3rscA:
4.4		 2qx6A-3rscA:
21.48
2qx6B-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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE C1009
ILE C1085
GLY C1035
GLY C1034
 None
 0.80A 2qx6A-3sr6C:
undetectable
2qx6B-3sr6C:
undetectable		 2qx6A-3sr6C:
15.56
2qx6B-3sr6C:
15.56
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE C1206
ILE C 736
GLY C 916
GLY C 915
 None
 0.83A 2qx6A-3sr6C:
undetectable
2qx6B-3sr6C:
undetectable		 2qx6A-3sr6C:
15.56
2qx6B-3sr6C:
15.56
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.
3ujq LEGUME LECTIN

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		4 PHE A 127
ILE A 169
GLY A 154
GLY A 153
 None
 0.82A 2qx6A-3ujqA:
undetectable
2qx6B-3ujqA:
undetectable		 2qx6A-3ujqA:
22.87
2qx6B-3ujqA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 ILE A 189
TRP A 348
GLY A 333
GLY A 330
 None
 0.77A 2qx6A-4aw2A:
undetectable
2qx6B-4aw2A:
undetectable		 2qx6A-4aw2A:
19.59
2qx6B-4aw2A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		5 PHE A  28
ILE A 108
PHE A  94
GLY A 161
GLY A 160
 None
 1.17A 2qx6A-4ayjA:
undetectable
2qx6B-4ayjA:
undetectable		 2qx6A-4ayjA:
20.23
2qx6B-4ayjA:
20.23
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.
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 2qx6A-4doiA:
undetectable
2qx6B-4doiA:
undetectable		 2qx6A-4doiA:
25.55
2qx6B-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.
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
 0.84A 2qx6A-4eutA:
undetectable
2qx6B-4eutA:
undetectable		 2qx6A-4eutA:
19.70
2qx6B-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.
4eyv PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Serendipita
indica) 		PF00160
(Pro_isomerase) 		4 PHE A  22
PHE A  36
GLY A  64
GLY A  65
 None
None
NA  A 203 ( 3.7A)
NA  A 203 (-4.2A)
 0.78A 2qx6A-4eyvA:
undetectable
2qx6B-4eyvA:
undetectable		 2qx6A-4eyvA:
22.88
2qx6B-4eyvA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fln PROTEASE DO-LIKE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 PHE A 371
ILE A 407
PHE A 392
GLY A 324
 None
 0.70A 2qx6A-4flnA:
undetectable
2qx6B-4flnA:
undetectable		 2qx6A-4flnA:
18.68
2qx6B-4flnA:
18.68
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.
4gxh PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Xenorhabdus
bovienii) 		PF01470
(Peptidase_C15) 		4 PHE A 141
ILE A  91
GLY A  13
GLY A  14
 None
 0.73A 2qx6A-4gxhA:
4.4
2qx6B-4gxhA:
4.4		 2qx6A-4gxhA:
23.05
2qx6B-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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 4 ILE A 141
PHE A 196
GLY A 228
GLY A 227
 None
None
FMT  A 834 (-3.9A)
None
 0.80A 2qx6A-4lgnA:
undetectable
2qx6B-4lgnA:
undetectable		 2qx6A-4lgnA:
15.11
2qx6B-4lgnA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 PHE A 219
ILE A 200
GLY A 176
GLY A 177
 None
None
None
MLI  A 401 ( 4.9A)
 0.73A 2qx6A-4mcoA:
undetectable
2qx6B-4mcoA:
undetectable		 2qx6A-4mcoA:
21.08
2qx6B-4mcoA:
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.
4qpw GLYCOSYL HYDROLASE
FAMILY 10

(Bacteroides
intestinalis) 		no annotation 4 ILE A 297
PHE A 270
GLY A 277
GLY A 276
 None
 0.84A 2qx6A-4qpwA:
undetectable
2qx6B-4qpwA:
undetectable		 2qx6A-4qpwA:
20.09
2qx6B-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
 0.82A 2qx6A-4r3fA:
undetectable
2qx6B-4r3fA:
undetectable		 2qx6A-4r3fA:
23.79
2qx6B-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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 PHE A 290
ILE A 366
GLY A 309
GLY A 308
 None
 0.82A 2qx6A-4s17A:
undetectable
2qx6B-4s17A:
undetectable		 2qx6A-4s17A:
19.32
2qx6B-4s17A:
19.32
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.
4tlg SEC14-LIKE PROTEIN 4

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		4 ILE A 232
PHE A 100
GLY A 242
GLY A 243
 None
 0.79A 2qx6A-4tlgA:
undetectable
2qx6B-4tlgA:
undetectable		 2qx6A-4tlgA:
19.40
2qx6B-4tlgA:
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 PHE A 355
ILE A 358
TRP A 466
GLY A 435
GLY A 437
 None
 1.44A 2qx6A-4u8hA:
undetectable
2qx6B-4u8hA:
undetectable		 2qx6A-4u8hA:
17.06
2qx6B-4u8hA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		4 PHE A  87
ILE A  86
GLY A 101
GLY A 104
 None
 0.80A 2qx6A-4uymA:
undetectable
2qx6B-4uymA:
undetectable		 2qx6A-4uymA:
20.58
2qx6B-4uymA:
20.58
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.
4zhy YFIR

(Pseudomonas
aeruginosa) 		PF13689
(DUF4154) 		4 PHE A 127
ILE A 113
GLY A 116
GLY A  74
 None
 0.81A 2qx6A-4zhyA:
3.2
2qx6B-4zhyA:
2.1		 2qx6A-4zhyA:
21.93
2qx6B-4zhyA:
21.93
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.
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
 0.81A 2qx6A-5a22A:
2.3
2qx6B-5a22A:
2.4		 2qx6A-5a22A:
7.94
2qx6B-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.
5bz3 NA(+)/H(+)
ANTIPORTER

(Thermus
thermophilus) 		PF00999
(Na_H_Exchanger) 		4 PHE A 218
ILE A 202
GLY A 244
GLY A 245
 None
 0.83A 2qx6A-5bz3A:
undetectable
2qx6B-5bz3A:
undetectable		 2qx6A-5bz3A:
21.07
2qx6B-5bz3A:
21.07
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.
5eb2 YFIR

(Pseudomonas
aeruginosa) 		PF13689
(DUF4154) 		4 PHE A 127
ILE A 113
GLY A 116
GLY A  74
 None
 0.82A 2qx6A-5eb2A:
3.2
2qx6B-5eb2A:
undetectable		 2qx6A-5eb2A:
23.31
2qx6B-5eb2A:
23.31
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.
5ejb FUSION GLYCOPROTEIN
F0

(Hendra
henipavirus) 		no annotation 4 ILE B  59
PHE B 214
GLY B 236
GLY B 237
 None
 0.77A 2qx6A-5ejbB:
undetectable
2qx6B-5ejbB:
undetectable		 2qx6A-5ejbB:
18.15
2qx6B-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.
5epo 7-ALPHA-HYDROXYSTERO
ID DEYDROGENASE

(Clostridium
sardiniense) 		PF13561
(adh_short_C2) 		4 ILE A 146
PHE A 208
GLY A 248
GLY A 247
 None
TUD  A 302 ( 4.6A)
None
None
 0.80A 2qx6A-5epoA:
4.0
2qx6B-5epoA:
4.1		 2qx6A-5epoA:
21.32
2qx6B-5epoA:
21.32
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.
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
 0.74A 2qx6A-5evmA:
undetectable
2qx6B-5evmA:
undetectable		 2qx6A-5evmA:
17.51
2qx6B-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
 0.66A 2qx6A-5ex1A:
undetectable
2qx6B-5ex1A:
undetectable		 2qx6A-5ex1A:
22.92
2qx6B-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.
5f0g GLUTATHIONE
S-TRANSFERASE D2

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 PHE A   3
ILE A  16
GLY A   9
GLY A   8
 None
 0.76A 2qx6A-5f0gA:
undetectable
2qx6B-5f0gA:
undetectable		 2qx6A-5f0gA:
21.12
2qx6B-5f0gA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 4 ILE A 208
PHE A 181
GLY A 202
GLY A 201
 None
 0.80A 2qx6A-5f0oA:
undetectable
2qx6B-5f0oA:
undetectable		 2qx6A-5f0oA:
13.73
2qx6B-5f0oA:
13.73
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.
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)
 0.83A 2qx6A-5f15A:
undetectable
2qx6B-5f15A:
undetectable		 2qx6A-5f15A:
17.19
2qx6B-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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 ILE A 173
PHE A 228
GLY A 260
GLY A 259
 None
 0.71A 2qx6A-5fkrA:
undetectable
2qx6B-5fkrA:
undetectable		 2qx6A-5fkrA:
14.45
2qx6B-5fkrA:
14.45
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.
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
 0.79A 2qx6A-5h4uA:
undetectable
2qx6B-5h4uA:
undetectable		 2qx6A-5h4uA:
22.75
2qx6B-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.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 PHE A  15
ILE A  70
PHE A 160
GLY A 118
GLY A 117
 None
 1.33A 2qx6A-5hwsA:
4.3
2qx6B-5hwsA:
4.4		 2qx6A-5hwsA:
20.62
2qx6B-5hwsA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.76A 2qx6A-5k1rA:
2.7
2qx6B-5k1rA:
undetectable		 2qx6A-5k1rA:
19.14
2qx6B-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)
 0.83A 2qx6A-5l6fA:
undetectable
2qx6B-5l6fA:
undetectable		 2qx6A-5l6fA:
19.08
2qx6B-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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 PHE A 282
ILE A 356
GLY A 300
GLY A 299
 None
 0.74A 2qx6A-5ldfA:
undetectable
2qx6B-5ldfA:
undetectable		 2qx6A-5ldfA:
17.45
2qx6B-5ldfA:
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.
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
 0.83A 2qx6A-5nclA:
undetectable
2qx6B-5nclA:
undetectable		 2qx6A-5nclA:
16.96
2qx6B-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.
5t5x CRYPTOCHROME-1

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 PHE A 337
ILE A 340
TRP A 448
GLY A 417
GLY A 419
 None
 1.45A 2qx6A-5t5xA:
undetectable
2qx6B-5t5xA:
undetectable		 2qx6A-5t5xA:
18.90
2qx6B-5t5xA:
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.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 PHE H  29
ILE H  73
GLY H  55
GLY H  54
 None
 0.68A 2qx6A-5uemH:
undetectable
2qx6B-5uemH:
undetectable		 2qx6A-5uemH:
16.07
2qx6B-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.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE G 298
ILE G 215
GLY G 502
GLY G 501
 None
 0.82A 2qx6A-5x6oG:
undetectable
2qx6B-5x6oG:
undetectable		 2qx6A-5x6oG:
14.78
2qx6B-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.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 4 PHE G 355
ILE G 525
GLY G 501
GLY G 502
 None
 0.75A 2qx6A-5x6oG:
undetectable
2qx6B-5x6oG:
undetectable		 2qx6A-5x6oG:
14.78
2qx6B-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.
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 2qx6A-5ybaA:
undetectable
2qx6B-5ybaA:
undetectable		 2qx6A-5ybaA:
undetectable
2qx6B-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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 4 PHE A  81
ILE A  77
GLY A 202
GLY A 201
 None
 0.62A 2qx6A-6cwoA:
undetectable
2qx6B-6cwoA:
undetectable		 2qx6A-6cwoA:
16.59
2qx6B-6cwoA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cwp RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 4 PHE A  81
ILE A  77
GLY A 202
GLY A 201
 None
 0.62A 2qx6A-6cwpA:
undetectable
2qx6B-6cwpA:
undetectable		 2qx6A-6cwpA:
18.83
2qx6B-6cwpA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dft -

(-) 		no annotation 4 PHE B 150
ILE B 179
PHE B 146
GLY B 101
 None
 0.80A 2qx6A-6dftB:
2.7
2qx6B-6dftB:
3.4		 2qx6A-6dftB:
undetectable
2qx6B-6dftB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ems TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 4 PHE A 148
ILE A 119
GLY A 202
GLY A 203
 None
 0.78A 2qx6A-6emsA:
undetectable
2qx6B-6emsA:
undetectable		 2qx6A-6emsA:
15.86
2qx6B-6emsA:
15.86
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.
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)
 0.74A 2qx6A-6eo5A:
undetectable
2qx6B-6eo5A:
undetectable		 2qx6A-6eo5A:
15.02
2qx6B-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 2qx6A-6fb3A:
undetectable
2qx6B-6fb3A:
undetectable		 2qx6A-6fb3A:
19.56
2qx6B-6fb3A:
19.56
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.
6fkq NETRIN-1

(Homo sapiens) 		no annotation 4 PHE A 174
ILE A 247
GLY A 283
GLY A 282
 None
 0.81A 2qx6A-6fkqA:
undetectable
2qx6B-6fkqA:
undetectable		 2qx6A-6fkqA:
14.80
2qx6B-6fkqA:
14.80