SIMILAR PATTERNS OF AMINO ACIDS FOR 6CDU_I_EY4I500

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.
1a9w HEMOGLOBIN (BETA
CHAIN)

(Homo sapiens) 		PF00042
(Globin) 		4 GLN E 127
VAL E 126
TRP E 130
THR E  12
 None
 1.36A 6cduI-1a9wE:
2.5
6cduJ-1a9wE:
2.5		 6cduI-1a9wE:
18.53
6cduJ-1a9wE:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		4 VAL B 187
TRP B 188
PRO B  51
THR B 190
 None
 1.22A 6cduI-1bouB:
0.0
6cduJ-1bouB:
0.0		 6cduI-1bouB:
21.15
6cduJ-1bouB:
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A  84
VAL A  82
PRO A  86
THR A 345
 None
 1.45A 6cduI-1gycA:
0.0
6cduJ-1gycA:
0.0		 6cduI-1gycA:
22.79
6cduJ-1gycA:
22.79
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.
1ktw IOTA-CARRAGEENASE

(Alteromonas sp.
ATCC 43554) 		PF12708
(Pectate_lyase_3) 		4 GLN A 289
VAL A 380
PRO A  30
THR A 384
 None
 1.32A 6cduI-1ktwA:
0.0
6cduJ-1ktwA:
undetectable		 6cduI-1ktwA:
22.20
6cduJ-1ktwA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1msc BACTERIOPHAGE MS2
COAT PROTEIN

(Escherichia
virus MS2) 		PF01819
(Levi_coat) 		4 GLN A   6
VAL A  20
TRP A  32
THR A  45
 None
 1.39A 6cduI-1mscA:
undetectable
6cduJ-1mscA:
undetectable		 6cduI-1mscA:
19.20
6cduJ-1mscA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		4 GLN A 379
VAL A 378
PRO A 382
THR A 368
 None
 1.50A 6cduI-1ovwA:
undetectable
6cduJ-1ovwA:
0.0		 6cduI-1ovwA:
23.36
6cduJ-1ovwA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLN A 478
VAL A 438
PRO A 475
THR A 431
 None
 1.48A 6cduI-1qgdA:
0.2
6cduJ-1qgdA:
0.0		 6cduI-1qgdA:
19.41
6cduJ-1qgdA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhf TYROSINE-PROTEIN
KINASE RECEPTOR
TYRO3

(Homo sapiens) 		PF07679
(I-set) 		4 GLN A  89
VAL A  91
TRP A  92
THR A  94
 None
 1.08A 6cduI-1rhfA:
1.0
6cduJ-1rhfA:
0.7		 6cduI-1rhfA:
22.22
6cduJ-1rhfA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0b FEEM

(uncultured
bacterium) 		no annotation 4 GLN A 183
VAL A 177
TRP A 180
THR A 127
 None
 1.17A 6cduI-2g0bA:
0.1
6cduJ-2g0bA:
0.1		 6cduI-2g0bA:
20.61
6cduJ-2g0bA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51) 		4 GLN A 123
VAL A 120
PRO A 143
THR A  82
 None
 1.20A 6cduI-2gdjA:
undetectable
6cduJ-2gdjA:
0.0		 6cduI-2gdjA:
20.59
6cduJ-2gdjA:
20.59
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		4 GLN G 528
VAL G 527
TRP G 563
THR G 538
 None
 1.27A 6cduI-2iouG:
undetectable
6cduJ-2iouG:
undetectable		 6cduI-2iouG:
20.15
6cduJ-2iouG:
20.15
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLN X 121
VAL X 119
PRO X 352
THR X 498
 None
 1.21A 6cduI-2iv2X:
undetectable
6cduJ-2iv2X:
undetectable		 6cduI-2iv2X:
17.97
6cduJ-2iv2X:
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.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		4 GLN A 360
VAL A  27
PRO A  99
THR A  83
 None
 1.47A 6cduI-2jerA:
undetectable
6cduJ-2jerA:
undetectable		 6cduI-2jerA:
23.47
6cduJ-2jerA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l8b PROTEIN TRAI

(Escherichia
coli) 		no annotation 4 GLN A 531
VAL A 532
PRO A 431
THR A 535
 None
 1.41A 6cduI-2l8bA:
undetectable
6cduJ-2l8bA:
undetectable		 6cduI-2l8bA:
19.14
6cduJ-2l8bA:
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.
2rez MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN

(Streptomyces
glaucescens) 		PF03364
(Polyketide_cyc) 		4 GLN A 110
VAL A 109
TRP A  95
THR A  77
 None
 1.50A 6cduI-2rezA:
undetectable
6cduJ-2rezA:
undetectable		 6cduI-2rezA:
19.75
6cduJ-2rezA:
19.75
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.
2rn7 IS629 ORFA

(Shigella
flexneri) 		PF01527
(HTH_Tnp_1) 		4 GLN A  53
VAL A  49
TRP A  50
THR A  43
 None
 1.23A 6cduI-2rn7A:
undetectable
6cduJ-2rn7A:
undetectable		 6cduI-2rn7A:
15.08
6cduJ-2rn7A:
15.08
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.
2ux7 PSEUDOAZURIN

(Achromobacter
cycloclastes) 		PF00127
(Copper-bind) 		4 GLN A  89
VAL A  88
PRO A  94
THR A  44
 None
 1.10A 6cduI-2ux7A:
undetectable
6cduJ-2ux7A:
undetectable		 6cduI-2ux7A:
16.92
6cduJ-2ux7A:
16.92
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.
2wbh COAT PROTEIN

(Escherichia
virus MS2) 		PF01819
(Levi_coat) 		4 GLN A   6
VAL A  20
TRP A  32
THR A  45
 None
 1.36A 6cduI-2wbhA:
undetectable
6cduJ-2wbhA:
undetectable		 6cduI-2wbhA:
24.58
6cduJ-2wbhA:
24.58
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.
2xmo LMO2642 PROTEIN

(Listeria
monocytogenes) 		PF00149
(Metallophos) 		4 GLN A 127
VAL A 128
PRO A 187
THR A  45
 None
 1.44A 6cduI-2xmoA:
undetectable
6cduJ-2xmoA:
undetectable		 6cduI-2xmoA:
21.17
6cduJ-2xmoA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		4 GLN A 125
VAL A 126
TRP A 333
THR A 353
 None
 1.48A 6cduI-3afgA:
undetectable
6cduJ-3afgA:
undetectable		 6cduI-3afgA:
22.27
6cduJ-3afgA:
22.27
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 GLN A 430
VAL A 431
PRO A 528
THR A 409
 None
 1.38A 6cduI-3d3aA:
undetectable
6cduJ-3d3aA:
undetectable		 6cduI-3d3aA:
18.63
6cduJ-3d3aA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1

(Escherichia
coli;
Arabidopsis
thaliana) 		PF00400
(WD40)
PF01547
(SBP_bac_1) 		4 GLN A1119
VAL A1121
TRP A1132
THR A1128
 None
 1.26A 6cduI-3dm0A:
undetectable
6cduJ-3dm0A:
undetectable		 6cduI-3dm0A:
18.16
6cduJ-3dm0A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 GLN A 197
VAL A 196
TRP A 230
THR A 219
 None
 1.24A 6cduI-3e49A:
undetectable
6cduJ-3e49A:
undetectable		 6cduI-3e49A:
23.36
6cduJ-3e49A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eja PROTEIN GH61E

(Thielavia
terrestris) 		PF03443
(Glyco_hydro_61) 		4 GLN A  73
VAL A  72
PRO A 201
THR A 114
 None
 1.28A 6cduI-3ejaA:
undetectable
6cduJ-3ejaA:
undetectable		 6cduI-3ejaA:
21.75
6cduJ-3ejaA:
21.75
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.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 GLN A 512
VAL A 541
PRO A 537
THR A 407
 None
 1.34A 6cduI-3fw6A:
undetectable
6cduJ-3fw6A:
undetectable		 6cduI-3fw6A:
22.84
6cduJ-3fw6A:
22.84
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		4 GLN X 433
VAL X 435
PRO X 647
THR X 381
 None
 1.42A 6cduI-3lxuX:
3.0
6cduJ-3lxuX:
3.6		 6cduI-3lxuX:
13.16
6cduJ-3lxuX:
13.16
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacterium
smegmatis) 		PF02682
(CT_C_D) 		4 GLN B 205
VAL B  87
PRO B 120
THR B 199
 None
 1.38A 6cduI-3mmlB:
undetectable
6cduJ-3mmlB:
undetectable		 6cduI-3mmlB:
18.94
6cduJ-3mmlB:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndh RESTRICTION
ENDONUCLEASE THAI

(Thermoplasma
acidophilum) 		PF15514
(ThaI) 		4 GLN A 149
VAL A 147
PRO A 123
THR A 185
 None
 1.47A 6cduI-3ndhA:
undetectable
6cduJ-3ndhA:
undetectable		 6cduI-3ndhA:
22.39
6cduJ-3ndhA:
22.39
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.
3o1h PERIPLASMIC PROTEIN
TORT

(Vibrio
parahaemolyticus) 		PF00532
(Peripla_BP_1) 		4 VAL B 138
TRP B 140
PRO B 178
THR B 271
 None
 1.36A 6cduI-3o1hB:
undetectable
6cduJ-3o1hB:
undetectable		 6cduI-3o1hB:
20.40
6cduJ-3o1hB:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLN A  57
VAL A  55
TRP A 125
THR A  91
 None
 1.42A 6cduI-3p4sA:
4.7
6cduJ-3p4sA:
4.7		 6cduI-3p4sA:
19.06
6cduJ-3p4sA:
19.06
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.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 4 VAL A 319
TRP A 274
PRO A 325
THR A 316
 None
 1.50A 6cduI-3sbqA:
undetectable
6cduJ-3sbqA:
undetectable		 6cduI-3sbqA:
17.94
6cduJ-3sbqA:
17.94
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.
3tee FLAGELLA BASAL BODY
P-RING FORMATION
PROTEIN FLGA

(Salmonella
enterica) 		PF13144
(ChapFlgA) 		4 GLN A 131
VAL A 130
PRO A 105
THR A  95
 None
 1.36A 6cduI-3teeA:
undetectable
6cduJ-3teeA:
undetectable		 6cduI-3teeA:
20.72
6cduJ-3teeA:
20.72
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.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 4 GLN A  61
VAL A 195
PRO A   7
THR A  86
 None
 1.29A 6cduI-3wevA:
undetectable
6cduJ-3wevA:
undetectable		 6cduI-3wevA:
19.50
6cduJ-3wevA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 GLN A 216
VAL A 176
TRP A 177
THR A 191
 None
None
BGC  A 601 (-3.4A)
BGC  A 601 ( 3.8A)
 1.43A 6cduI-4avoA:
undetectable
6cduJ-4avoA:
undetectable		 6cduI-4avoA:
21.21
6cduJ-4avoA:
21.21
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.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		4 GLN A 431
VAL A 429
TRP A 430
THR A 384
 None
 1.46A 6cduI-4azvA:
undetectable
6cduJ-4azvA:
undetectable		 6cduI-4azvA:
20.88
6cduJ-4azvA:
20.88
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 4 GLN A 420
VAL A 419
PRO A 448
THR A 411
 None
 1.49A 6cduI-4bb9A:
1.6
6cduJ-4bb9A:
2.3		 6cduI-4bb9A:
18.75
6cduJ-4bb9A:
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 VAL C2356
TRP C2357
PRO C2379
THR C2360
 None
 1.24A 6cduI-4bgdC:
undetectable
6cduJ-4bgdC:
undetectable		 6cduI-4bgdC:
20.47
6cduJ-4bgdC:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce4 MRPL3

(Sus scrofa) 		PF00297
(Ribosomal_L3) 		4 GLN E 267
VAL E 269
TRP E 273
THR E 306
 None
None
None
U  A1440 ( 4.3A)
 1.47A 6cduI-4ce4E:
undetectable
6cduJ-4ce4E:
undetectable		 6cduI-4ce4E:
21.98
6cduJ-4ce4E:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 GLN A 336
VAL A 334
PRO A 307
THR A 331
 None
 1.35A 6cduI-4fmvA:
undetectable
6cduJ-4fmvA:
undetectable		 6cduI-4fmvA:
20.35
6cduJ-4fmvA:
20.35
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.
4hka TRYPTOPHAN
2,3-DIOXYGENASE

(Drosophila
melanogaster) 		PF03301
(Trp_dioxygenase) 		4 GLN A 112
VAL A 110
TRP A 308
THR A 306
 None
 0.94A 6cduI-4hkaA:
1.2
6cduJ-4hkaA:
undetectable		 6cduI-4hkaA:
20.77
6cduJ-4hkaA:
20.77
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.
4hzp BIFUNCTIONAL
METHYLMALONYL-COA:AC
P
ACYLTRANSFERASE/DECA
RBOXYLASE

(Streptomyces
atroolivaceus) 		no annotation 4 GLN A  96
VAL A 101
PRO A 175
THR A  41
 None
 1.45A 6cduI-4hzpA:
undetectable
6cduJ-4hzpA:
undetectable		 6cduI-4hzpA:
21.81
6cduJ-4hzpA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		4 GLN A 142
VAL A 173
PRO A  77
THR A 200
 None
 1.19A 6cduI-4igmA:
undetectable
6cduJ-4igmA:
undetectable		 6cduI-4igmA:
20.11
6cduJ-4igmA:
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.
4jrn RHOPTRY KINASE
FAMILY PROTEIN

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 GLN A 401
VAL A 406
PRO A 522
THR A 430
 None
 1.49A 6cduI-4jrnA:
undetectable
6cduJ-4jrnA:
undetectable		 6cduI-4jrnA:
19.42
6cduJ-4jrnA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4js7 CELLULOSE BINDING
PROTEIN

(Clavibacter
michiganensis) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		4 GLN A 126
VAL A 127
PRO A  26
THR A 109
 None
 1.32A 6cduI-4js7A:
undetectable
6cduJ-4js7A:
undetectable		 6cduI-4js7A:
19.28
6cduJ-4js7A:
19.28
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.
4js7 CELLULOSE BINDING
PROTEIN

(Clavibacter
michiganensis) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		4 GLN A 126
VAL A 127
TRP A 156
THR A 172
 None
 1.35A 6cduI-4js7A:
undetectable
6cduJ-4js7A:
undetectable		 6cduI-4js7A:
19.28
6cduJ-4js7A:
19.28
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.
4k08 METHYL-ACCEPTING
CHEMOTAXIS SENSORY
TRANSDUCER

(Anaeromyxobacter
dehalogenans) 		PF17200
(sCache_2) 		4 VAL A  97
TRP A  96
PRO A 108
THR A 165
 None
ACT  A 201 (-3.7A)
None
None
 1.19A 6cduI-4k08A:
undetectable
6cduJ-4k08A:
undetectable		 6cduI-4k08A:
20.18
6cduJ-4k08A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k61 UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF11396
(PepSY_like) 		4 GLN A  75
VAL A 109
TRP A 108
THR A 136
 None
 1.21A 6cduI-4k61A:
undetectable
6cduJ-4k61A:
undetectable		 6cduI-4k61A:
19.44
6cduJ-4k61A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k61 UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF11396
(PepSY_like) 		4 GLN A 132
VAL A 120
PRO A 153
THR A  81
 None
 1.28A 6cduI-4k61A:
undetectable
6cduJ-4k61A:
undetectable		 6cduI-4k61A:
19.44
6cduJ-4k61A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqj HEMOGLOBIN SUBUNIT
GAMMA-2

(Homo sapiens) 		PF00042
(Globin) 		4 GLN B 127
VAL B 126
TRP B 130
THR B  12
 None
 1.45A 6cduI-4mqjB:
2.6
6cduJ-4mqjB:
2.8		 6cduI-4mqjB:
18.27
6cduJ-4mqjB:
18.27
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLN A 111
VAL A 112
PRO A 104
THR A 439
 None
 0.99A 6cduI-4s17A:
undetectable
6cduJ-4s17A:
undetectable		 6cduI-4s17A:
21.95
6cduJ-4s17A:
21.95
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.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		4 GLN A 156
VAL A 125
PRO B 167
THR A 116
 None
 1.40A 6cduI-4um8A:
undetectable
6cduJ-4um8A:
2.5		 6cduI-4um8A:
18.84
6cduJ-4um8A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uow OBSCURIN
TITIN

(Homo sapiens;
Homo sapiens) 		PF07679
(I-set)
PF07679
(I-set) 		4 GLN 1  79
VAL 1  95
PRO 0  11
THR 1  14
 None
 1.32A 6cduI-4uow1:
undetectable
6cduJ-4uow1:
undetectable		 6cduI-4uow1:
13.71
6cduJ-4uow1:
13.71
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		4 GLN A 158
TRP A 192
PRO A 352
THR A 187
 None
 1.32A 6cduI-4wzzA:
undetectable
6cduJ-4wzzA:
undetectable		 6cduI-4wzzA:
22.65
6cduJ-4wzzA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		4 GLN A 350
VAL A 348
TRP A 351
THR A  63
 None
 1.33A 6cduI-5awmA:
undetectable
6cduJ-5awmA:
undetectable		 6cduI-5awmA:
21.31
6cduJ-5awmA:
21.31
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 GLN A 277
VAL A 275
PRO A 385
THR A 441
 None
 1.50A 6cduI-5c65A:
1.8
6cduJ-5c65A:
1.6		 6cduI-5c65A:
21.24
6cduJ-5c65A:
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 GLN A 160
VAL A 179
PRO A 151
THR A 296
 None
 1.46A 6cduI-5cfaA:
3.5
6cduJ-5cfaA:
3.2		 6cduI-5cfaA:
20.75
6cduJ-5cfaA:
20.75
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 GLN A 336
VAL A 334
PRO A 307
THR A 331
 None
 1.45A 6cduI-5cxpA:
undetectable
6cduJ-5cxpA:
undetectable		 6cduI-5cxpA:
22.89
6cduJ-5cxpA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d4k POLYMERIC
IMMUNOGLOBULIN
RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		4 GLN A 325
VAL A 227
TRP A 324
THR A 236
 None
 1.38A 6cduI-5d4kA:
undetectable
6cduJ-5d4kA:
undetectable		 6cduI-5d4kA:
20.65
6cduJ-5d4kA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ff5 PAAA

(Pantoea
agglomerans) 		PF00899
(ThiF) 		4 GLN A 339
VAL A 340
PRO A 350
THR A 226
 None
 1.37A 6cduI-5ff5A:
undetectable
6cduJ-5ff5A:
undetectable		 6cduI-5ff5A:
22.06
6cduJ-5ff5A:
22.06
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		4 GLN A  78
VAL A  75
PRO A  93
THR A 280
 None
 1.37A 6cduI-5fv4A:
undetectable
6cduJ-5fv4A:
undetectable		 6cduI-5fv4A:
20.27
6cduJ-5fv4A:
20.27
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		4 VAL A 308
TRP A  46
PRO A  44
THR A 301
 None
 1.48A 6cduI-5gnmA:
undetectable
6cduJ-5gnmA:
undetectable		 6cduI-5gnmA:
21.57
6cduJ-5gnmA:
21.57
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 GLN A  62
VAL A  64
PRO A 257
THR A  79
 None
 1.48A 6cduI-5iy9A:
3.8
6cduJ-5iy9A:
3.2		 6cduI-5iy9A:
9.28
6cduJ-5iy9A:
9.28
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		4 GLN A  11
VAL A 333
PRO A   7
THR A 311
 None
 1.21A 6cduI-5l8sA:
undetectable
6cduJ-5l8sA:
undetectable		 6cduI-5l8sA:
18.30
6cduJ-5l8sA:
18.30
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		4 GLN A 105
VAL A 109
TRP A 104
THR A  77
 None
 1.31A 6cduI-5logA:
undetectable
6cduJ-5logA:
undetectable		 6cduI-5logA:
21.57
6cduJ-5logA:
21.57
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 4 GLN A 457
VAL A 455
PRO A 515
THR A 823
 SME  A 519 ( 4.7A)
None
SME  A 519 ( 4.7A)
None
 1.30A 6cduI-5mhfA:
undetectable
6cduJ-5mhfA:
undetectable		 6cduI-5mhfA:
undetectable
6cduJ-5mhfA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5

(Homo sapiens) 		no annotation 4 GLN A 245
VAL A 246
TRP A 249
PRO A 403
 None
 0.41A 6cduI-5o8fA:
21.0
6cduJ-5o8fA:
5.7		 6cduI-5o8fA:
48.09
6cduJ-5o8fA:
48.09
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.
5o9w THEBAINE
6-O-DEMETHYLASE

(Papaver
somniferum) 		no annotation 4 GLN A  89
VAL A 276
PRO A 269
THR A 310
 None
 0.95A 6cduI-5o9wA:
undetectable
6cduJ-5o9wA:
undetectable		 6cduI-5o9wA:
undetectable
6cduJ-5o9wA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 4 GLN A 241
VAL A 242
TRP A 245
PRO A 400
 A8Z  A 502 (-2.8A)
A8Z  A 502 (-2.9A)
A8Z  A 502 ( 2.8A)
A8Z  A 502 (-3.1A)
 0.38A 6cduI-5osbA:
20.5
6cduJ-5osbA:
26.7		 6cduI-5osbA:
49.40
6cduJ-5osbA:
49.40
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.
5u7n CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		no annotation 4 GLN A  91
VAL A  83
TRP A  64
THR A 134
 None
 1.42A 6cduI-5u7nA:
undetectable
6cduJ-5u7nA:
undetectable		 6cduI-5u7nA:
undetectable
6cduJ-5u7nA:
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.
5zfh KALLIKREIN-7

(Mus musculus) 		no annotation 4 GLN A  30
VAL A  45
TRP A  29
THR A 208
 None
 1.41A 6cduI-5zfhA:
undetectable
6cduJ-5zfhA:
undetectable		 6cduI-5zfhA:
undetectable
6cduJ-5zfhA:
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.
6az1 RIBOSOMAL PROTEIN
S1E

(Leishmania
donovani) 		no annotation 4 GLN A  42
VAL A  32
PRO A 238
THR A  89
 None
 1.27A 6cduI-6az1A:
undetectable
6cduJ-6az1A:
undetectable		 6cduI-6az1A:
19.19
6cduJ-6az1A:
19.19
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.
6cim V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 2

(Mus musculus) 		no annotation 4 GLN B  33
VAL B  45
PRO B  37
THR B 121
 None
 1.37A 6cduI-6cimB:
undetectable
6cduJ-6cimB:
undetectable		 6cduI-6cimB:
undetectable
6cduJ-6cimB:
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.
6cvz E3 UBIQUITIN-PROTEIN
LIGASE RFWD3

(Homo sapiens) 		no annotation 4 GLN A 466
VAL A 479
PRO A 469
THR A 531
 None
 1.23A 6cduI-6cvzA:
undetectable
6cduJ-6cvzA:
undetectable		 6cduI-6cvzA:
undetectable
6cduJ-6cvzA:
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.
6ek7 YAXA

(Yersinia
enterocolitica) 		no annotation 4 GLN A 353
VAL A 350
PRO A 383
THR A 189
 None
 1.22A 6cduI-6ek7A:
5.1
6cduJ-6ek7A:
6.1		 6cduI-6ek7A:
undetectable
6cduJ-6ek7A:
undetectable