SIMILAR PATTERNS OF AMINO ACIDS FOR 4R20_B_AERB602

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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ALA E 115
PHE E 117
ILE E  73
GLY E  78
SER E 219
 None
 0.96A 4r20B-1cziE:
0.0		 4r20B-1cziE:
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 ALA A 578
ILE A 513
VAL A 617
THR A 633
SER A 540
 None
 1.29A 4r20B-1fohA:
undetectable		 4r20B-1fohA:
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.
1fts FTSY

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ALA A 437
ASN A 302
VAL A 304
GLY A 385
THR A 383
 None
 1.28A 4r20B-1ftsA:
undetectable		 4r20B-1ftsA:
21.37
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.
1gmm CBM6

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		5 PHE A 126
ILE A  69
VAL A 114
GLY A  82
THR A  79
 None
 1.23A 4r20B-1gmmA:
undetectable		 4r20B-1gmmA:
13.18
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.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1

(Saccharomyces
cerevisiae) 		PF00378
(ECH_1) 		5 ASN A 248
ILE A 109
GLY A 159
THR A 157
VAL A 163
 None
 1.30A 4r20B-1hnoA:
0.0		 4r20B-1hnoA:
19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 ALA A 113
PHE A 114
ILE A 240
THR A 298
VAL A 205
 DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
None
HEM  A 500 ( 3.6A)
None
 1.23A 4r20B-1nr6A:
43.5		 4r20B-1nr6A:
35.58
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 ILE K 273
VAL K 349
GLY K 249
THR K 252
VAL K 267
 None
 1.21A 4r20B-1oxxK:
0.0		 4r20B-1oxxK:
21.46
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 ALA B 148
ASN B 239
GLY B 191
THR B 232
VAL B 200
 None
 1.17A 4r20B-1pjmB:
undetectable		 4r20B-1pjmB:
21.22
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 PHE A 247
ILE A 225
VAL A  66
GLY A 152
VAL A  70
 None
 1.00A 4r20B-1pwwA:
0.0		 4r20B-1pwwA:
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 ALA E 115
PHE E 117
ILE E  73
GLY E  78
SER E 219
 None
HH0  E 327 ( 4.8A)
None
None
HH0  E 327 (-3.0A)
 1.05A 4r20B-1qrpE:
undetectable		 4r20B-1qrpE:
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.
1rcu CONSERVED
HYPOTHETICAL PROTEIN
VT76

(Thermotoga
maritima) 		PF03641
(Lysine_decarbox) 		5 ALA A  58
VAL A   4
GLY A  36
SER A  77
VAL A  39
 None
 1.30A 4r20B-1rcuA:
undetectable		 4r20B-1rcuA:
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.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 PHE A1174
VAL A1019
GLY A1024
THR A1333
VAL A1118
 None
 1.26A 4r20B-1s16A:
undetectable		 4r20B-1s16A:
24.32
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 167
ASN A 320
GLY A 161
SER A 246
VAL A 225
 None
 1.24A 4r20B-1tt7A:
undetectable		 4r20B-1tt7A:
21.61
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.
1uy4 ENDO-1,4-BETA-XYLANA
SE A

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		5 PHE A 141
ILE A  84
VAL A 129
GLY A  97
THR A  94
 None
None
None
None
GOL  A1152 (-3.7A)
 1.17A 4r20B-1uy4A:
undetectable		 4r20B-1uy4A:
15.65
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.
1wa3 2-KETO-3-DEOXY-6-PHO
SPHOGLUCONATE
ALDOLASE

(Thermotoga
maritima) 		PF01081
(Aldolase) 		5 ALA A  48
PHE A  43
VAL A 105
GLY A  66
VAL A  80
 None
 1.25A 4r20B-1wa3A:
undetectable		 4r20B-1wa3A:
15.48
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 ALA A  49
PHE A  50
ILE A  81
VAL A  96
THR A 294
 None
MET  A1298 (-3.8A)
None
None
None
 1.26A 4r20B-1wkmA:
undetectable		 4r20B-1wkmA:
19.96
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.
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp. WS) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 166
ILE A 209
VAL A 206
GLY A 175
VAL A 215
 ALA  A 166 ( 0.0A)
ILE  A 209 ( 0.7A)
VAL  A 206 ( 0.6A)
GLY  A 175 ( 0.0A)
VAL  A 215 ( 0.6A)
 1.20A 4r20B-1wlyA:
undetectable		 4r20B-1wlyA:
21.40
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.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 ALA A 174
PHE A 172
ILE A 148
VAL A 149
GLY A 142
 None
 1.32A 4r20B-1xvxA:
undetectable		 4r20B-1xvxA:
19.84
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.
2aco OUTER MEMBRANE
LIPOPROTEIN BLC

(Escherichia
coli) 		PF08212
(Lipocalin_2) 		5 PHE A 169
ASN A 117
ILE A 119
VAL A 118
GLY A 132
 None
 1.29A 4r20B-2acoA:
undetectable		 4r20B-2acoA:
15.23
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ALA A 325
VAL A 332
GLY A 339
THR A 341
VAL A 307
 None
 1.27A 4r20B-2ahwA:
undetectable		 4r20B-2ahwA:
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 ALA A  53
ILE A  38
GLY A  41
SER A 211
VAL A  73
 None
 1.06A 4r20B-2b6nA:
undetectable		 4r20B-2b6nA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b8n GLYCERATE KINASE,
PUTATIVE

(Thermotoga
maritima) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 ASN A 326
ILE A 412
GLY A 349
THR A 401
VAL A  15
 None
 1.27A 4r20B-2b8nA:
undetectable		 4r20B-2b8nA:
21.51
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.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 ALA A 372
PHE A 360
VAL A 353
GLY A 210
VAL A 216
 None
 1.30A 4r20B-2e7uA:
undetectable		 4r20B-2e7uA:
24.29
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 ASN A 119
VAL A 118
GLY A 121
THR A 103
VAL A 561
 None
 1.22A 4r20B-2eaeA:
undetectable		 4r20B-2eaeA:
19.18
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		5 ALA A  12
GLY B 246
THR B 225
SER B 241
VAL B 254
 None
CL  B 406 ( 3.8A)
None
None
None
 1.27A 4r20B-2gezA:
undetectable		 4r20B-2gezA:
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 ASN A 222
ILE A 225
VAL A 226
GLY A 301
SER A 364
 None
 1.16A 4r20B-2gfiA:
undetectable		 4r20B-2gfiA:
21.35
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.
2hwx TELOMERASE-BINDING
PROTEIN EST1A

(Homo sapiens) 		PF13638
(PIN_4) 		5 ALA A1263
PHE A1313
VAL A1279
GLY A1254
VAL A1275
 None
 1.25A 4r20B-2hwxA:
undetectable		 4r20B-2hwxA:
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.
2icy PROBABLE
UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Arabidopsis
thaliana) 		PF01704
(UDPGP) 		5 PHE A 343
ASN A 295
GLY A 337
THR A 334
VAL A 195
 None
UPG  A 901 (-3.0A)
None
None
None
 1.21A 4r20B-2icyA:
undetectable		 4r20B-2icyA:
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.
2l02 UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF10771
(DUF2582) 		5 ALA A  16
ILE A  54
VAL A  53
GLY A  22
SER A  72
 None
 1.12A 4r20B-2l02A:
undetectable		 4r20B-2l02A:
11.32
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.
2lq5 RNA-BINDING PROTEIN
39

(Mus musculus) 		PF15519
(RBM39linker) 		5 ALA A 104
ASN A  38
ILE A  34
GLY A  42
VAL A  59
 None
 1.27A 4r20B-2lq5A:
undetectable		 4r20B-2lq5A:
12.42
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.
2lq5 RNA-BINDING PROTEIN
39

(Mus musculus) 		PF15519
(RBM39linker) 		5 ALA A 104
ILE A  34
VAL A  33
GLY A  42
VAL A  59
 None
 1.13A 4r20B-2lq5A:
undetectable		 4r20B-2lq5A:
12.42
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		5 ILE A 220
VAL A 221
GLY A 218
THR A 247
VAL A 254
 None
 1.25A 4r20B-2nrjA:
0.9		 4r20B-2nrjA:
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.
2of3 ZYG-9

(Caenorhabditis
elegans) 		no annotation 5 ALA A 799
VAL A 757
GLY A 765
THR A 770
VAL A 791
 None
 1.21A 4r20B-2of3A:
undetectable		 4r20B-2of3A:
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A 126
ILE A 197
VAL A 194
GLY A 130
VAL A  16
 None
 1.28A 4r20B-2vxyA:
undetectable		 4r20B-2vxyA:
22.11
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 PHE A 315
ILE A 245
VAL A 282
GLY A 227
VAL A 260
 None
 1.28A 4r20B-2vxyA:
undetectable		 4r20B-2vxyA:
22.11
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.
2w3g TWO COMPONENT SENSOR
HISTIDINE KINASE
DEVS (GAF FAMILY
PROTEIN)

(Mycobacterium
tuberculosis) 		PF13185
(GAF_2) 		5 ALA A  81
ILE A 121
VAL A 120
GLY A 157
VAL A 136
 None
None
HEM  A 500 ( 3.4A)
None
None
 1.04A 4r20B-2w3gA:
undetectable		 4r20B-2w3gA:
15.43
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 647
VAL A 490
GLY A 495
SER A 425
VAL A 463
 None
 0.88A 4r20B-2wtbA:
undetectable		 4r20B-2wtbA:
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.
2zc8 N-ACYLAMINO ACID
RACEMASE

(Thermus
thermophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 106
ILE A 327
VAL A 328
GLY A 297
VAL A 349
 None
 1.07A 4r20B-2zc8A:
undetectable		 4r20B-2zc8A:
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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ILE A  87
VAL A  83
GLY A 234
THR A  97
VAL A  94
 None
 1.22A 4r20B-2zyjA:
undetectable		 4r20B-2zyjA:
25.82
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 ALA A 385
ASN A 621
ILE A 619
VAL A 620
GLY A 582
 None
 1.16A 4r20B-3abzA:
undetectable		 4r20B-3abzA:
20.31
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.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ASN A 441
ILE A 443
GLY A 439
SER A 514
VAL A 490
 None
 1.11A 4r20B-3ciyA:
undetectable		 4r20B-3ciyA:
21.46
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.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		5 ALA A 294
ASN A 437
ILE A 436
VAL A 435
GLY A 369
 None
 1.28A 4r20B-3clqA:
0.7		 4r20B-3clqA:
19.96
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.
3ct4 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 ASN A 107
ILE A 133
GLY A 151
THR A 188
VAL A 183
 None
 1.21A 4r20B-3ct4A:
undetectable		 4r20B-3ct4A:
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.
3do5 HOMOSERINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ILE A  72
VAL A  75
GLY A  96
THR A 112
VAL A   7
 None
 1.21A 4r20B-3do5A:
undetectable		 4r20B-3do5A:
22.85
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		5 ALA A 244
PHE A 248
ASN A 106
ILE A 107
GLY A 506
 None
 1.25A 4r20B-3iukA:
undetectable		 4r20B-3iukA:
21.87
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF17

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 VAL L 293
GLY L 308
THR L 333
SER L 330
VAL L 313
 None
 1.10A 4r20B-3jb9L:
undetectable		 4r20B-3jb9L:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF) 		5 PHE C 247
ILE C 225
VAL C  66
GLY C 152
VAL C  70
 None
 1.01A 4r20B-3kwvC:
undetectable		 4r20B-3kwvC:
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.
3l7v PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1377C

(Streptococcus
mutans) 		PF01300
(Sua5_yciO_yrdC) 		5 ALA A 134
ASN A 162
ILE A 169
VAL A 166
GLY A  33
 None
 1.31A 4r20B-3l7vA:
undetectable		 4r20B-3l7vA:
19.46
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.
3p42 PREDICTED PROTEIN

(Escherichia
coli) 		PF06251
(Caps_synth_GfcC) 		5 ALA A 159
ASN A 235
ILE A 238
VAL A 239
GLY A 221
 None
 0.96A 4r20B-3p42A:
undetectable		 4r20B-3p42A:
19.96
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.
3p5n RIBOFLAVIN UPTAKE
PROTEIN

(Staphylococcus
aureus) 		PF12822
(ECF_trnsprt) 		5 ALA A  99
PHE A  95
ILE A 173
VAL A 174
VAL A  49
 None
 1.32A 4r20B-3p5nA:
undetectable		 4r20B-3p5nA:
17.54
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.
3pm9 PUTATIVE
OXIDOREDUCTASE

(Rhodopseudomonas
palustris) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ALA A 265
ASN A 392
ILE A 355
GLY A 386
VAL A 362
 None
UNL  A 477 ( 4.6A)
None
None
None
 1.16A 4r20B-3pm9A:
undetectable		 4r20B-3pm9A:
24.44
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.
3pov ORF 37

(Human
gammaherpesvirus
8) 		PF01771
(Herpes_alk_exo) 		5 ALA A 448
ASN A 368
VAL A 367
SER A 381
VAL A 442
 None
 1.12A 4r20B-3povA:
undetectable		 4r20B-3povA:
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		5 PHE A 213
VAL A 267
GLY A 220
THR A 225
VAL A 253
 None
None
SO4  A 288 (-3.2A)
None
None
 0.94A 4r20B-3pzsA:
undetectable		 4r20B-3pzsA:
21.28
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 PHE A  90
ASN A 184
ILE A 187
VAL A 188
GLY A  77
 None
 1.07A 4r20B-3qnbA:
undetectable		 4r20B-3qnbA:
19.33
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.
3s3t NUCLEOTIDE-BINDING
PROTEIN, UNIVERSAL
STRESS PROTEIN USPA
FAMILY

(Lactobacillus
plantarum) 		PF00582
(Usp) 		5 ILE A 143
VAL A 142
GLY A 115
THR A 130
VAL A 135
 None
None
ATP  A 501 (-3.2A)
ATP  A 501 (-3.6A)
None
 1.28A 4r20B-3s3tA:
undetectable		 4r20B-3s3tA:
16.48
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 ILE A 138
VAL A 137
GLY A 302
THR A 307
SER A  76
 None
 1.22A 4r20B-3u4gA:
undetectable		 4r20B-3u4gA:
23.41
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.
3wwh (R)-AMINE
TRANSAMINASE

(Arthrobacter
sp. KNK168) 		PF01063
(Aminotran_4) 		5 ILE A 157
VAL A 158
GLY A 280
SER A 292
VAL A 167
 None
 1.20A 4r20B-3wwhA:
undetectable		 4r20B-3wwhA:
22.24
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.
4a3t DNA MISMATCH REPAIR
PROTEIN HSM3

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 347
ILE A 378
VAL A 379
THR A 400
VAL A 390
 None
 1.12A 4r20B-4a3tA:
undetectable		 4r20B-4a3tA:
23.54
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ALA A 324
PHE A 372
ASN A  77
ILE A  80
VAL A  81
 None
 1.07A 4r20B-4dy0A:
undetectable		 4r20B-4dy0A:
22.40
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.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		5 ALA A  53
ILE A  38
GLY A  41
SER A 206
VAL A  74
 None
 1.15A 4r20B-4dztA:
undetectable		 4r20B-4dztA:
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.
4g1h SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		5 ALA A 123
ILE A 182
GLY A 108
SER A 151
VAL A 144
 None
 1.31A 4r20B-4g1hA:
undetectable		 4r20B-4g1hA:
18.32
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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A 124
ILE A 100
VAL A 213
GLY A 321
VAL A 326
 None
 1.31A 4r20B-4gtnA:
undetectable		 4r20B-4gtnA:
20.97
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.
4h59 IRON-COMPOUND ABC
TRANSPORTER, IRON
COMPOUND-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		5 ALA A  45
PHE A  46
ASN A  65
ILE A  61
GLY A 132
 None
 1.16A 4r20B-4h59A:
undetectable		 4r20B-4h59A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 345
ASN A 106
VAL A 107
GLY A 136
VAL A  98
 None
 1.24A 4r20B-4kg7A:
undetectable		 4r20B-4kg7A:
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.
4ku4 RAS-3 FROM
CRYPHONECTRIA
PARASITICA

(Cryphonectria
parasitica) 		PF00071
(Ras) 		5 ASN A 142
VAL A 140
GLY A  23
THR A  28
VAL A  87
 GDP  A 301 (-3.2A)
None
GDP  A 301 (-3.1A)
None
None
 1.26A 4r20B-4ku4A:
undetectable		 4r20B-4ku4A:
19.29
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF00989
(PAS) 		5 ALA C 284
PHE C 275
ASN C 229
ILE C 228
GLY C 215
 None
 1.01A 4r20B-4lryC:
undetectable		 4r20B-4lryC:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 113
PHE A 114
ASN A 202
GLY A 301
VAL A 483
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-4.1A)
 0.94A 4r20B-4nkyA:
49.2		 4r20B-4nkyA:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		6 ALA A 113
PHE A 114
ASN A 202
ILE A 205
GLY A 301
THR A 306
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
 0.80A 4r20B-4nkyA:
49.2		 4r20B-4nkyA:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ASN A 202
ILE A 205
GLY A 301
THR A 306
VAL A 482
 3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
 0.81A 4r20B-4nkyA:
49.2		 4r20B-4nkyA:
44.09
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.
4pcv BDCA (YJGI)

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ALA A 113
ILE A  22
VAL A  23
GLY A  13
SER A  73
 None
 1.19A 4r20B-4pcvA:
undetectable		 4r20B-4pcvA:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 ALA A 126
PHE A 127
ILE A 218
VAL A 219
GLY A 312
THR A 317
SER A 378
VAL A 493
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.6A)
None
 0.88A 4r20B-4r1zA:
49.2		 4r20B-4r1zA:
46.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 ALA A  36
PHE A 243
VAL A  27
GLY A  13
VAL A 239
 None
 1.20A 4r20B-4repA:
undetectable		 4r20B-4repA:
23.45
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		5 PHE A 589
ILE A 540
GLY A 574
SER A 615
VAL A 578
 None
 1.24A 4r20B-4ru4A:
undetectable		 4r20B-4ru4A:
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A 126
ILE A 197
VAL A 194
GLY A 130
VAL A  16
 None
 1.27A 4r20B-4u39A:
undetectable		 4r20B-4u39A:
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.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN

(Candidatus
Liberibacter
asiaticus) 		PF01297
(ZnuA) 		5 ALA A 206
ASN A 104
VAL A  93
GLY A 173
SER A 199
 None
 1.14A 4r20B-4udnA:
undetectable		 4r20B-4udnA:
19.17
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.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 ALA A 244
ASN A 217
GLY A 219
SER A  78
VAL A 250
 None
 1.28A 4r20B-5b04A:
undetectable		 4r20B-5b04A:
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.
5cml OSMC FAMILY PROTEIN

(Rhodothermus
marinus) 		PF12146
(Hydrolase_4) 		5 ALA A 127
ILE A  50
VAL A 240
GLY A 245
SER A 220
 None
 1.31A 4r20B-5cmlA:
undetectable		 4r20B-5cmlA:
23.59
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 ALA A  42
VAL A 188
GLY A 242
THR A  65
SER A 155
 None
 1.12A 4r20B-5f83A:
undetectable		 4r20B-5f83A:
20.67
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 727
VAL A 758
GLY A 696
THR A 502
VAL A 490
 None
 1.21A 4r20B-5favA:
2.5		 4r20B-5favA:
20.39
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.
5ghs SSDNA-SPECIFIC
EXONUCLEASE

(Thermococcus
kodakarensis) 		PF02272
(DHHA1) 		5 ALA A 129
VAL A 144
GLY A 139
SER A  86
VAL A 122
 None
 1.31A 4r20B-5ghsA:
undetectable		 4r20B-5ghsA:
20.94
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ASN A 441
ILE A 443
GLY A 439
SER A 514
VAL A 490
 None
 1.10A 4r20B-5gs0A:
undetectable		 4r20B-5gs0A:
23.75
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 PHE A 114
ILE A  98
VAL A  97
GLY A  51
VAL A  85
 None
 1.15A 4r20B-5k9xA:
undetectable		 4r20B-5k9xA:
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.
5kp9 EPN-01*

(Human
immunodeficiency
virus 1;
Thermotoga
maritima) 		PF01081
(Aldolase) 		5 ALA B  46
PHE B  41
VAL B 103
GLY B  64
VAL B  78
 None
 1.24A 4r20B-5kp9B:
undetectable		 4r20B-5kp9B:
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A 287
VAL A 241
GLY A 252
SER A 208
VAL A 210
 None
 1.25A 4r20B-5kznA:
undetectable		 4r20B-5kznA:
23.24
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.
5kzs PUTATIVE CELL
SURFACE PROTEIN,
SIMILAR TO
INTERNALIN PROTEINS

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 ASN A 255
ILE A 291
GLY A 272
SER A 309
VAL A 345
 None
 1.29A 4r20B-5kzsA:
undetectable		 4r20B-5kzsA:
18.45
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.
5l0w SEC71
SEC72

(Chaetomium
thermophilum) 		PF09802
(Sec66)
no annotation 		5 ALA A 134
ASN A 120
VAL A 123
GLY A 127
VAL B  61
 None
 1.18A 4r20B-5l0wA:
undetectable		 4r20B-5l0wA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 ALA A 381
ILE A  89
VAL A 115
GLY A 197
THR A 188
 None
None
None
None
8Q2  A 501 ( 4.8A)
 1.00A 4r20B-5n81A:
undetectable		 4r20B-5n81A:
10.75
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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 5 ALA A  83
PHE A  50
ILE A   6
GLY A  90
THR A  92
 None
 1.29A 4r20B-5n9mA:
undetectable		 4r20B-5n9mA:
10.38
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.
5nrm DOCCEL5: TYPE I
DOCKERIN REPEAT
DOMAIN FROM A.
CELLULOLYTICUS
FAMILY 5
ENDOGLUCANASE
WP_010249057 S51I,
L52N MUTANT
ENDOGLUCANASE

(Acetivibrio
cellulolyticus) 		no annotation 5 ALA A 132
PHE A   4
ILE A  57
VAL A  58
SER B  16
 None
 0.89A 4r20B-5nrmA:
undetectable		 4r20B-5nrmA:
9.83
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.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		5 ALA A 172
ILE A 104
VAL A 105
GLY A 166
VAL A 120
 None
 1.13A 4r20B-5o30A:
undetectable		 4r20B-5o30A:
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		5 ALA A 115
PHE A 117
ILE A  73
GLY A  78
SER A 219
 None
 1.25A 4r20B-5pepA:
undetectable		 4r20B-5pepA:
19.77
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.
5t33 RHPA GP120 CORE

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		5 PHE G 391
ASN G 283
ILE G 284
GLY G 471
THR G 257
 None
 1.19A 4r20B-5t33G:
undetectable		 4r20B-5t33G:
20.08
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 ALA A  53
ILE A  38
GLY A  41
SER A 208
VAL A  76
 None
 1.17A 4r20B-5wslA:
undetectable		 4r20B-5wslA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 PHE A 185
ILE A 148
VAL A 150
GLY A 195
VAL A 116
 None
 0.93A 4r20B-5wwtA:
undetectable		 4r20B-5wwtA:
22.68
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		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) 		5 ALA A1016
VAL A 851
GLY A 870
SER A1058
VAL A1060
 None
 1.30A 4r20B-5xogA:
1.8		 4r20B-5xogA:
14.26
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.
5y28 -

(-) 		no annotation 5 ALA A 137
ILE A 266
VAL A 262
GLY A 141
VAL A 112
 None
 1.32A 4r20B-5y28A:
undetectable		 4r20B-5y28A:
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 6 ALA A 126
PHE A 127
ILE A 218
GLY A 312
THR A 317
SER A 378
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
 0.75A 4r20B-6b82A:
47.0		 4r20B-6b82A:
9.98
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 6 ALA A 126
PHE A 127
ILE A 218
VAL A 219
GLY A 312
THR A 317
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 (-4.8A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
 0.85A 4r20B-6b82A:
47.0		 4r20B-6b82A:
9.98
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 5 ALA A 126
PHE A 127
VAL A 219
GLY A 312
VAL A 494
 HEM  A 601 (-3.8A)
None
AER  A 602 (-4.8A)
AER  A 602 ( 3.7A)
None
 1.24A 4r20B-6b82A:
47.0		 4r20B-6b82A:
9.98