SIMILAR PATTERNS OF AMINO ACIDS FOR 1MMW_B_H4BB2760_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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.30A 1mmwA-1flgA:
0.0
1mmwB-1flgA:
0.0		 1mmwA-1flgA:
21.00
1mmwB-1flgA:
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.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2) 		4 PHE C 360
GLU C 353
MET C 291
VAL C 216
 None
 1.38A 1mmwA-1h2tC:
0.0
1mmwB-1h2tC:
0.0		 1mmwA-1h2tC:
19.45
1mmwB-1h2tC:
19.45
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.42A 1mmwA-1kexA:
undetectable
1mmwB-1kexA:
0.0		 1mmwA-1kexA:
16.83
1mmwB-1kexA:
16.83
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.31A 1mmwA-1kh2A:
0.0
1mmwB-1kh2A:
0.0		 1mmwA-1kh2A:
22.91
1mmwB-1kh2A:
22.91
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.
1knb ADENOVIRUS TYPE 5
FIBER PROTEIN

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob) 		4 TRP A 558
PHE A 568
GLU A 566
VAL A 530
 None
 1.48A 1mmwA-1knbA:
0.0
1mmwB-1knbA:
0.0		 1mmwA-1knbA:
18.98
1mmwB-1knbA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.34A 1mmwA-1l5jA:
0.0
1mmwB-1l5jA:
0.0		 1mmwA-1l5jA:
19.11
1mmwB-1l5jA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 MET A 336
ARG A 596
VAL A 677
TRP A 678
 H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.11A 1mmwA-1lzxA:
64.9
1mmwB-1lzxA:
63.1		 1mmwA-1lzxA:
100.00
1mmwB-1lzxA:
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 PHE D  35
GLU D 132
VAL D  28
TRP D  31
 None
 1.31A 1mmwA-1mhzD:
0.0
1mmwB-1mhzD:
0.0		 1mmwA-1mhzD:
20.89
1mmwB-1mhzD:
20.89
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.08A 1mmwA-1mzbA:
0.1
1mmwB-1mzbA:
0.3		 1mmwA-1mzbA:
16.71
1mmwB-1mzbA:
16.71
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.
1p9o PHOSPHOPANTOTHENOYLC
YSTEINE SYNTHETASE

(Homo sapiens) 		PF04127
(DFP) 		4 PHE A 230
GLU A 233
ARG A  65
VAL A 255
 None
 1.49A 1mmwA-1p9oA:
undetectable
1mmwB-1p9oA:
undetectable		 1mmwA-1p9oA:
21.82
1mmwB-1p9oA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 0.88A 1mmwA-1pduA:
undetectable
1mmwB-1pduA:
undetectable		 1mmwA-1pduA:
19.39
1mmwB-1pduA:
19.39
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		4 PHE A 206
GLU A 201
MET A 249
VAL A 267
 None
 1.25A 1mmwA-1qb4A:
3.8
1mmwB-1qb4A:
3.6		 1mmwA-1qb4A:
19.19
1mmwB-1qb4A:
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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 277
PHE A 254
GLU A 250
VAL A 122
 None
 1.49A 1mmwA-1tkiA:
undetectable
1mmwB-1tkiA:
undetectable		 1mmwA-1tkiA:
20.37
1mmwB-1tkiA:
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 TRP A 162
PHE A 265
GLU A 161
VAL A 221
 None
 1.49A 1mmwA-1vmkA:
undetectable
1mmwB-1vmkA:
undetectable		 1mmwA-1vmkA:
21.53
1mmwB-1vmkA:
21.53
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.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 PHE B 163
GLU B  26
ARG B 156
VAL B 128
 None
 1.18A 1mmwA-1wqlB:
undetectable
1mmwB-1wqlB:
undetectable		 1mmwA-1wqlB:
19.79
1mmwB-1wqlB:
19.79
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 PHE A 722
GLU A 693
ARG A 708
VAL A1424
 None
 1.06A 1mmwA-2b39A:
undetectable
1mmwB-2b39A:
2.4		 1mmwA-2b39A:
13.47
1mmwB-2b39A:
13.47
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 PHE A  21
GLU A  17
ARG A 261
VAL A 443
 None
 1.24A 1mmwA-2glfA:
undetectable
1mmwB-2glfA:
undetectable		 1mmwA-2glfA:
20.95
1mmwB-2glfA:
20.95
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.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		4 GLU A 191
MET A 156
ARG A 206
VAL A 211
 None
 1.48A 1mmwA-2n0sA:
undetectable
1mmwB-2n0sA:
undetectable		 1mmwA-2n0sA:
20.93
1mmwB-2n0sA:
20.93
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.49A 1mmwA-2qqoA:
undetectable
1mmwB-2qqoA:
undetectable		 1mmwA-2qqoA:
21.88
1mmwB-2qqoA:
21.88
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 TRP A 252
PHE A 254
GLU A 251
VAL A 245
 None
None
MRD  A1301 (-4.3A)
None
 1.42A 1mmwA-2vy0A:
undetectable
1mmwB-2vy0A:
undetectable		 1mmwA-2vy0A:
19.68
1mmwB-2vy0A:
19.68
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 266
PHE A 261
ARG A 278
VAL A 269
 None
 1.43A 1mmwA-2w4oA:
undetectable
1mmwB-2w4oA:
undetectable		 1mmwA-2w4oA:
20.91
1mmwB-2w4oA:
20.91
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		4 PHE A  98
GLU A 108
ARG A 159
VAL A 164
 None
 1.45A 1mmwA-2xhyA:
undetectable
1mmwB-2xhyA:
undetectable		 1mmwA-2xhyA:
20.36
1mmwB-2xhyA:
20.36
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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 PHE A 309
GLU A 305
ARG A 211
VAL A 239
 None
 1.28A 1mmwA-2ywbA:
undetectable
1mmwB-2ywbA:
undetectable		 1mmwA-2ywbA:
21.89
1mmwB-2ywbA:
21.89
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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 TRP A  66
PHE A   4
GLU A   6
VAL A  64
 None
 1.37A 1mmwA-2z11A:
undetectable
1mmwB-2z11A:
undetectable		 1mmwA-2z11A:
17.59
1mmwB-2z11A:
17.59
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 TRP A  15
PHE A 137
GLU A  16
MET A  17
 None
 1.32A 1mmwA-2zf8A:
undetectable
1mmwB-2zf8A:
undetectable		 1mmwA-2zf8A:
21.03
1mmwB-2zf8A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 TRP A 374
GLU A 372
VAL A 314
TRP A 293
 None
EDO  A 404 ( 3.8A)
None
None
 1.42A 1mmwA-3b7fA:
undetectable
1mmwB-3b7fA:
undetectable		 1mmwA-3b7fA:
20.65
1mmwB-3b7fA:
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.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		4 PHE A 152
GLU A 205
ARG A 153
VAL A 211
 None
None
None
EDO  A 401 ( 4.2A)
 1.49A 1mmwA-3bjdA:
undetectable
1mmwB-3bjdA:
undetectable		 1mmwA-3bjdA:
21.70
1mmwB-3bjdA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		4 GLU A  34
MET A  31
ARG A  53
VAL A  70
 None
 1.47A 1mmwA-3bxzA:
undetectable
1mmwB-3bxzA:
1.2		 1mmwA-3bxzA:
20.85
1mmwB-3bxzA:
20.85
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.06A 1mmwA-3ckbA:
undetectable
1mmwB-3ckbA:
2.8		 1mmwA-3ckbA:
19.68
1mmwB-3ckbA:
19.68
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.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 PHE A 211
GLU A 206
MET A 202
VAL A 220
 None
 1.10A 1mmwA-3d2wA:
undetectable
1mmwB-3d2wA:
undetectable		 1mmwA-3d2wA:
13.54
1mmwB-3d2wA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 TRP A  70
PHE A  88
GLU A  71
VAL A  16
 None
 1.49A 1mmwA-3ddlA:
undetectable
1mmwB-3ddlA:
2.0		 1mmwA-3ddlA:
20.23
1mmwB-3ddlA:
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 PHE A  67
GLU A  65
ARG A  27
VAL A  56
 None
 1.49A 1mmwA-3gs3A:
undetectable
1mmwB-3gs3A:
undetectable		 1mmwA-3gs3A:
20.38
1mmwB-3gs3A:
20.38
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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 PHE A  34
MET A  20
ARG A 118
TRP A  51
 1PE  A 131 (-4.5A)
1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
 1.35A 1mmwA-3hzpA:
undetectable
1mmwB-3hzpA:
undetectable		 1mmwA-3hzpA:
14.05
1mmwB-3hzpA:
14.05
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.
3l3p IPAH9.8

(Shigella
flexneri) 		PF14496
(NEL) 		4 TRP A 274
GLU A 314
VAL A 258
TRP A 261
 None
 1.29A 1mmwA-3l3pA:
undetectable
1mmwB-3l3pA:
3.8		 1mmwA-3l3pA:
20.70
1mmwB-3l3pA:
20.70
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.44A 1mmwA-3ma6A:
undetectable
1mmwB-3ma6A:
undetectable		 1mmwA-3ma6A:
21.65
1mmwB-3ma6A:
21.65
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 PHE A  75
GLU A  83
ARG A  64
VAL A 132
 None
None
TS5  A 620 (-2.3A)
None
 1.16A 1mmwA-3o98A:
undetectable
1mmwB-3o98A:
undetectable		 1mmwA-3o98A:
21.04
1mmwB-3o98A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.22A 1mmwA-3owcA:
undetectable
1mmwB-3owcA:
undetectable		 1mmwA-3owcA:
16.39
1mmwB-3owcA:
16.39
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 PHE A 113
GLU A 109
MET A 108
TRP A 128
 None
 1.21A 1mmwA-3q63A:
undetectable
1mmwB-3q63A:
undetectable		 1mmwA-3q63A:
12.97
1mmwB-3q63A:
12.97
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.26A 1mmwA-3rjyA:
undetectable
1mmwB-3rjyA:
undetectable		 1mmwA-3rjyA:
20.18
1mmwB-3rjyA:
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.40A 1mmwA-3ti8A:
undetectable
1mmwB-3ti8A:
undetectable		 1mmwA-3ti8A:
22.15
1mmwB-3ti8A:
22.15
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.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE B 953
GLU B 951
ARG B 924
VAL B 944
 None
 1.30A 1mmwA-3tixB:
undetectable
1mmwB-3tixB:
undetectable		 1mmwA-3tixB:
22.55
1mmwB-3tixB:
22.55
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 TRP A 383
PHE A 370
ARG A 373
VAL A 412
 None
 1.46A 1mmwA-4fnqA:
undetectable
1mmwB-4fnqA:
undetectable		 1mmwA-4fnqA:
20.92
1mmwB-4fnqA:
20.92
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.32A 1mmwA-4g76A:
undetectable
1mmwB-4g76A:
undetectable		 1mmwA-4g76A:
19.76
1mmwB-4g76A:
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.
4lmv GLUTATHIONE
TRANSFERASE

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		4 PHE A   7
GLU A  42
ARG A  29
VAL A  73
 None
None
None
FLC  A 300 (-4.1A)
 1.10A 1mmwA-4lmvA:
undetectable
1mmwB-4lmvA:
undetectable		 1mmwA-4lmvA:
21.10
1mmwB-4lmvA:
21.10
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.28A 1mmwA-4mlnA:
undetectable
1mmwB-4mlnA:
undetectable		 1mmwA-4mlnA:
16.20
1mmwB-4mlnA:
16.20
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		4 PHE A  68
GLU A 115
ARG A 125
VAL A  53
 None
 1.26A 1mmwA-4p2lA:
undetectable
1mmwB-4p2lA:
undetectable		 1mmwA-4p2lA:
21.14
1mmwB-4p2lA:
21.14
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.15A 1mmwA-4xj6A:
undetectable
1mmwB-4xj6A:
undetectable		 1mmwA-4xj6A:
21.03
1mmwB-4xj6A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.09A 1mmwA-4xj6A:
undetectable
1mmwB-4xj6A:
undetectable		 1mmwA-4xj6A:
21.03
1mmwB-4xj6A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.40A 1mmwA-4ylrA:
undetectable
1mmwB-4ylrA:
undetectable		 1mmwA-4ylrA:
22.90
1mmwB-4ylrA:
22.90
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.
4zva DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 TRP A  12
GLU A  11
MET A   8
VAL A  84
 None
 1.39A 1mmwA-4zvaA:
undetectable
1mmwB-4zvaA:
2.1		 1mmwA-4zvaA:
18.95
1mmwB-4zvaA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.36A 1mmwA-5by3A:
undetectable
1mmwB-5by3A:
1.9		 1mmwA-5by3A:
19.87
1mmwB-5by3A:
19.87
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 TRP A 401
PHE A 397
GLU A 402
VAL B  28
 None
 1.49A 1mmwA-5c6gA:
3.2
1mmwB-5c6gA:
2.7		 1mmwA-5c6gA:
22.19
1mmwB-5c6gA:
22.19
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		4 GLU A 418
ARG A 316
VAL A 438
TRP A 439
 None
BE2  A1476 (-4.0A)
BE2  A1476 ( 4.3A)
BE2  A1476 ( 3.7A)
 1.33A 1mmwA-5fjnA:
undetectable
1mmwB-5fjnA:
undetectable		 1mmwA-5fjnA:
24.55
1mmwB-5fjnA:
24.55
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.03A 1mmwA-5m8tA:
undetectable
1mmwB-5m8tA:
undetectable		 1mmwA-5m8tA:
19.87
1mmwB-5m8tA:
19.87
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 4 PHE A 258
GLU A 253
MET A 249
VAL A 231
 None
 1.09A 1mmwA-5x89A:
undetectable
1mmwB-5x89A:
undetectable		 1mmwA-5x89A:
12.70
1mmwB-5x89A:
12.70
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 PHE A 113
GLU A 106
ARG A 129
VAL A  65
 None
 1.19A 1mmwA-5xf7A:
undetectable
1mmwB-5xf7A:
undetectable		 1mmwA-5xf7A:
13.09
1mmwB-5xf7A:
13.09
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.
5xgp SECRETED XWNT8
INHIBITOR SIZZLED

(Xenopus laevis) 		PF01392
(Fz) 		4 PHE A 180
GLU A 222
VAL A 254
TRP A 224
 None
 0.92A 1mmwA-5xgpA:
undetectable
1mmwB-5xgpA:
undetectable		 1mmwA-5xgpA:
19.81
1mmwB-5xgpA:
19.81
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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 TRP H  49
MET H 105
VAL D  98
TRP D  91
 None
 1.04A 1mmwA-5xwdH:
undetectable
1mmwB-5xwdH:
undetectable		 1mmwA-5xwdH:
10.16
1mmwB-5xwdH:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dxp -

(-) 		no annotation 4 PHE A 170
GLU A 174
ARG A 157
VAL A 152
 None
 1.41A 1mmwA-6dxpA:
undetectable
1mmwB-6dxpA:
undetectable		 1mmwA-6dxpA:
undetectable
1mmwB-6dxpA:
undetectable