SIMILAR PATTERNS OF AMINO ACIDS FOR 5ADD_A_H4BA760_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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		4 VAL A 496
ARG A 482
VAL A 390
PHE A 374
 None
 1.26A 5addA-1a6cA:
0.0
5addB-1a6cA:
0.0		 5addA-1a6cA:
20.38
5addB-1a6cA:
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 VAL A 326
ARG A 219
VAL A 209
PHE A 222
 None
 1.11A 5addA-1b41A:
0.0
5addB-1b41A:
0.0		 5addA-1b41A:
20.61
5addB-1b41A:
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 VAL A 326
ARG A 219
VAL A 209
PHE A 222
 None
 0.99A 5addA-1c2oA:
0.0
5addB-1c2oA:
0.0		 5addA-1c2oA:
20.04
5addB-1c2oA:
20.04
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.
1em8 DNA POLYMERASE III
CHI SUBUNIT

(Escherichia
coli) 		PF04364
(DNA_pol3_chi) 		4 VAL A  21
ARG A 130
VAL A 114
PHE A   6
 None
 1.32A 5addA-1em8A:
0.0
5addB-1em8A:
0.2		 5addA-1em8A:
18.05
5addB-1em8A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g5i MITOCHONDRIAL DNA
POLYMERASE ACCESSORY
SUBUNIT

(Mus musculus) 		PF03129
(HGTP_anticodon) 		4 VAL A 187
ARG A  72
VAL A 316
PHE A  73
 None
 1.38A 5addA-1g5iA:
0.0
5addB-1g5iA:
0.0		 5addA-1g5iA:
22.18
5addB-1g5iA:
22.18
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 VAL A 200
ARG A 160
TRP A  27
PHE A 154
 None
None
SO4  A 400 (-3.4A)
SO4  A 400 (-4.6A)
 1.31A 5addA-1nrkA:
0.0
5addB-1nrkA:
0.0		 5addA-1nrkA:
20.92
5addB-1nrkA:
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 VAL B 487
VAL B 448
TRP B 482
PHE B 479
 None
None
None
K  B 703 ( 4.8A)
 0.97A 5addA-1ovlB:
0.5
5addB-1ovlB:
0.2		 5addA-1ovlB:
22.20
5addB-1ovlB:
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL A 111
ARG A  38
VAL A  18
PHE A  90
 None
SUC  A9002 (-4.2A)
None
None
 1.28A 5addA-1rzgA:
0.0
5addB-1rzgA:
0.0		 5addA-1rzgA:
18.46
5addB-1rzgA:
18.46
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.48A 5addA-1t1jA:
0.0
5addB-1t1jA:
0.0		 5addA-1t1jA:
16.38
5addB-1t1jA:
16.38
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.
1xn6 HYPOTHETICAL PROTEIN
BC4709

(Bacillus cereus) 		PF08327
(AHSA1) 		4 VAL A  27
VAL A 140
TRP A  36
PHE A  16
 None
 1.04A 5addA-1xn6A:
undetectable
5addB-1xn6A:
undetectable		 5addA-1xn6A:
15.33
5addB-1xn6A:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		4 VAL B 278
ARG B 259
VAL B 248
PHE B 261
 None
 1.49A 5addA-1zunB:
undetectable
5addB-1zunB:
undetectable		 5addA-1zunB:
22.57
5addB-1zunB:
22.57
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.
2i3y EPIDIDYMAL SECRETORY
GLUTATHIONE
PEROXIDASE

(Homo sapiens) 		PF00255
(GSHPx) 		4 VAL A 140
ARG A 197
VAL A 148
PHE A 186
 None
 1.35A 5addA-2i3yA:
undetectable
5addB-2i3yA:
undetectable		 5addA-2i3yA:
20.14
5addB-2i3yA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		4 VAL A  59
ARG A 156
VAL A 148
PHE A  53
 None
 1.38A 5addA-2jhqA:
undetectable
5addB-2jhqA:
undetectable		 5addA-2jhqA:
19.23
5addB-2jhqA:
19.23
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 VAL A  52
ARG A 311
VAL A  44
PHE A 296
 EOH  A 502 (-4.7A)
None
None
None
 1.13A 5addA-2nxfA:
undetectable
5addB-2nxfA:
undetectable		 5addA-2nxfA:
22.59
5addB-2nxfA:
22.59
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.
2ot9 HYPOTHETICAL PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF07152
(YaeQ) 		4 VAL A 152
ARG A 179
VAL A 170
PHE A  49
 None
 1.21A 5addA-2ot9A:
undetectable
5addB-2ot9A:
undetectable		 5addA-2ot9A:
19.07
5addB-2ot9A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 278
VAL A 269
TRP A 266
PHE A 261
 None
 1.45A 5addA-2w4oA:
undetectable
5addB-2w4oA:
undetectable		 5addA-2w4oA:
20.26
5addB-2w4oA:
20.26
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.
2wfx HEDGEHOG-INTERACTING
PROTEIN

(Homo sapiens) 		PF07995
(GSDH) 		4 VAL B 334
ARG B 241
VAL B 251
PHE B 243
 None
 1.42A 5addA-2wfxB:
undetectable
5addB-2wfxB:
undetectable		 5addA-2wfxB:
22.92
5addB-2wfxB:
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 VAL A  15
ARG A  89
VAL A 107
PHE A 123
 None
 1.39A 5addA-3ce6A:
undetectable
5addB-3ce6A:
undetectable		 5addA-3ce6A:
20.78
5addB-3ce6A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmi PEROXIREDOXIN HYR1

(Saccharomyces
cerevisiae) 		PF00255
(GSHPx) 		4 VAL A  98
ARG A 141
VAL A 106
PHE A 130
 None
 1.30A 5addA-3cmiA:
undetectable
5addB-3cmiA:
undetectable		 5addA-3cmiA:
19.09
5addB-3cmiA:
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.
3dxq CHOLINE/ETHANOLAMINE
KINASE FAMILY
PROTEIN

(Mesorhizobium
loti) 		PF01633
(Choline_kinase) 		4 VAL A  69
VAL A 194
TRP A 196
PHE A 184
 None
 1.43A 5addA-3dxqA:
undetectable
5addB-3dxqA:
undetectable		 5addA-3dxqA:
21.05
5addB-3dxqA:
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.
3iy4 FRAGMENT OF
NEUTRALIZING
ANTIBODY 15 (HEAVY
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 VAL B 221
ARG B 172
VAL B 123
PHE B 173
 None
 1.18A 5addA-3iy4B:
undetectable
5addB-3iy4B:
undetectable		 5addA-3iy4B:
13.03
5addB-3iy4B:
13.03
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 ARG A 269
VAL A 260
TRP A 257
PHE A 252
 None
 1.44A 5addA-3ma6A:
undetectable
5addB-3ma6A:
undetectable		 5addA-3ma6A:
21.78
5addB-3ma6A:
21.78
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.
3puo DIHYDRODIPICOLINATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		4 VAL A  59
ARG A 267
VAL A  10
PHE A  13
 None
 1.46A 5addA-3puoA:
undetectable
5addB-3puoA:
undetectable		 5addA-3puoA:
21.53
5addB-3puoA:
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.
3q7p GTP-BINDING PROTEIN
RAD

(Homo sapiens) 		PF00071
(Ras) 		4 VAL A 248
ARG A 129
VAL A  94
PHE A 111
 None
 1.43A 5addA-3q7pA:
undetectable
5addB-3q7pA:
undetectable		 5addA-3q7pA:
16.35
5addB-3q7pA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qaw RHO-CLASS
GLUTATHIONE
S-TRANSFERASE

(Laternula
elliptica) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 VAL A  85
ARG A 199
VAL A  24
PHE A 161
 None
 1.19A 5addA-3qawA:
undetectable
5addB-3qawA:
undetectable		 5addA-3qawA:
20.19
5addB-3qawA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		4 VAL A  71
ARG A  75
VAL A  85
PHE A 151
 None
 1.31A 5addA-3qh4A:
undetectable
5addB-3qh4A:
undetectable		 5addA-3qh4A:
21.60
5addB-3qh4A:
21.60
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ARG A 286
VAL A 277
TRP A 274
PHE A 269
 DMS  A 711 (-4.1A)
None
None
DMS  A 711 (-3.9A)
 1.47A 5addA-3sxfA:
undetectable
5addB-3sxfA:
undetectable		 5addA-3sxfA:
20.65
5addB-3sxfA:
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.
3t2n ANTIBODY, FAB
FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L 106
ARG L  61
VAL L  19
PHE L  62
 None
 1.42A 5addA-3t2nL:
undetectable
5addB-3t2nL:
undetectable		 5addA-3t2nL:
20.15
5addB-3t2nL:
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 VAL A 194
ARG A 242
VAL A  35
PHE A 236
 None
 1.39A 5addA-3texA:
undetectable
5addB-3texA:
undetectable		 5addA-3texA:
20.82
5addB-3texA:
20.82
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC

(Alicyclobacillus
acidocaldarius) 		PF05175
(MTS) 		4 VAL A 251
ARG A 302
VAL A 259
PHE A 283
 None
 1.32A 5addA-4dzrA:
undetectable
5addB-4dzrA:
undetectable		 5addA-4dzrA:
21.11
5addB-4dzrA:
21.11
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ARG A 373
VAL A 412
TRP A 383
PHE A 370
 None
 1.46A 5addA-4fnqA:
undetectable
5addB-4fnqA:
undetectable		 5addA-4fnqA:
21.05
5addB-4fnqA:
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		4 VAL A  41
ARG A  55
VAL A  34
PHE A  56
 None
None
None
GOL  A 503 (-4.1A)
 1.47A 5addA-4g09A:
undetectable
5addB-4g09A:
undetectable		 5addA-4g09A:
19.11
5addB-4g09A:
19.11
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.
4glt GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Methylobacillus
flagellatus) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 VAL A  76
ARG A 192
VAL A  18
PHE A 152
 None
 1.30A 5addA-4gltA:
undetectable
5addB-4gltA:
undetectable		 5addA-4gltA:
19.07
5addB-4gltA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nuj PGT152 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B 111
ARG B  66
VAL B  18
PHE B  67
 None
 1.42A 5addA-4nujB:
undetectable
5addB-4nujB:
undetectable		 5addA-4nujB:
21.23
5addB-4nujB:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 VAL A 129
ARG A  75
VAL A  79
PHE A 141
 None
 1.32A 5addA-4pneA:
undetectable
5addB-4pneA:
undetectable		 5addA-4pneA:
21.59
5addB-4pneA:
21.59
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.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP

(Salmonella
enterica) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 VAL A 518
VAL A 469
TRP A 472
PHE A 496
 None
 1.41A 5addA-4pufA:
undetectable
5addB-4pufA:
undetectable		 5addA-4pufA:
21.54
5addB-4pufA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 VAL B 135
VAL B 166
TRP B 137
PHE B 120
 None
 1.47A 5addA-4w5uB:
undetectable
5addB-4w5uB:
undetectable		 5addA-4w5uB:
19.87
5addB-4w5uB:
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 ARG A 280
VAL A 309
TRP A 267
PHE A 268
 None
 1.17A 5addA-4xj5A:
undetectable
5addB-4xj5A:
undetectable		 5addA-4xj5A:
20.61
5addB-4xj5A:
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		4 VAL A 299
VAL A 147
TRP A  72
PHE A  64
 None
 1.23A 5addA-4yhsA:
undetectable
5addB-4yhsA:
undetectable		 5addA-4yhsA:
22.92
5addB-4yhsA:
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.
4z81 EGF FAMILY
DOMAIN-CONTAINING
PROTEIN

(Toxoplasma
gondii) 		PF02430
(AMA-1)
PF07974
(EGF_2) 		4 VAL A 409
ARG A 422
VAL A 485
TRP A 457
 None
 1.48A 5addA-4z81A:
undetectable
5addB-4z81A:
undetectable		 5addA-4z81A:
21.71
5addB-4z81A:
21.71
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.10A 5addA-5jseA:
undetectable
5addB-5jseA:
undetectable		 5addA-5jseA:
21.55
5addB-5jseA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxa VRC03 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H 111
ARG H  66
VAL H  18
PHE H  82
 None
 1.38A 5addA-5jxaH:
undetectable
5addB-5jxaH:
undetectable		 5addA-5jxaH:
20.89
5addB-5jxaH:
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.
5map DTPA

(Streptomyces
lividans) 		PF04261
(Dyp_perox) 		4 VAL A 289
VAL A 368
TRP A 393
PHE A 268
 None
 1.48A 5addA-5mapA:
undetectable
5addB-5mapA:
undetectable		 5addA-5mapA:
21.19
5addB-5mapA:
21.19
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.43A 5addA-5no8A:
undetectable
5addB-5no8A:
undetectable		 5addA-5no8A:
19.21
5addB-5no8A:
19.21
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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 4 VAL A 371
VAL A 231
TRP A 311
PHE A 216
 None
 1.42A 5addA-5nzgA:
undetectable
5addB-5nzgA:
undetectable		 5addA-5nzgA:
11.16
5addB-5nzgA:
11.16
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.
5twa BAK-2 PROTEIN
BCL-X HOMOLOGOUS
PROTEIN, BHP2

(Geodia
cydonium;
Lubomirskia
baicalensis) 		PF00452
(Bcl-2)
no annotation 		4 VAL D  82
VAL A 136
TRP A 133
PHE A 187
 None
None
B3P  A 309 (-4.3A)
None
 1.39A 5addA-5twaD:
undetectable
5addB-5twaD:
undetectable		 5addA-5twaD:
6.57
5addB-5twaD:
6.57
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 4 VAL A  94
ARG A 128
VAL A  91
PHE A 129
 None
 1.03A 5addA-5ufmA:
undetectable
5addB-5ufmA:
undetectable		 5addA-5ufmA:
10.90
5addB-5ufmA:
10.90
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.
5wcd VRC315 04-1D02 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H 122
ARG H  66
VAL H  18
PHE H  67
 None
 1.40A 5addA-5wcdH:
undetectable
5addB-5wcdH:
undetectable		 5addA-5wcdH:
21.43
5addB-5wcdH:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 4 VAL B 254
ARG B 280
VAL B 308
PHE B 313
 None
 1.44A 5addA-5x1yB:
undetectable
5addB-5x1yB:
undetectable		 5addA-5x1yB:
22.07
5addB-5x1yB:
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.
6b0n PGV19 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 VAL D 111
ARG D  66
VAL D  18
PHE D  82
 None
 1.28A 5addA-6b0nD:
undetectable
5addB-6b0nD:
undetectable		 5addA-6b0nD:
12.81
5addB-6b0nD:
12.81
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.
6db6 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 311-11D FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 4 VAL H 111
ARG H  38
VAL H  18
PHE H  90
 None
 1.35A 5addA-6db6H:
undetectable
5addB-6db6H:
undetectable		 5addA-6db6H:
12.81
5addB-6db6H:
12.81