SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y00_B_Y00B601_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.
1bou 4,5-DIOXYGENASE
ALPHA CHAIN
4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 LEU B  56
VAL B  57
ASP B 126
SER A  97
PHE A 103
 None
 1.12A 2y00B-1bouB:
undetectable		 2y00B-1bouB:
22.13
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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		5 LEU A 195
VAL A 200
VAL A 165
ASN A   5
TYR A 188
 None
 1.42A 2y00B-1f8rA:
undetectable		 2y00B-1f8rA:
20.96
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 TRP A  38
ASP A  53
VAL A  52
SER A  50
TYR A 198
 None
 1.49A 2y00B-1kwmA:
undetectable		 2y00B-1kwmA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 300
VAL A 296
TRP A   3
ASP A  18
PHE A 179
 None
 1.50A 2y00B-1ml4A:
undetectable		 2y00B-1ml4A:
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 TRP A  38
ASP A  53
VAL A  52
SER A  50
TYR A 198
 None
 1.48A 2y00B-1nsaA:
undetectable		 2y00B-1nsaA:
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 LEU A 313
THR A 186
ASP A 189
SER A  97
ASN A  69
 None
NAP  A1800 (-4.7A)
FE  A 900 ( 2.5A)
NAP  A1800 (-2.6A)
NAP  A1800 (-4.2A)
 1.23A 2y00B-1o2dA:
undetectable		 2y00B-1o2dA:
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.
1pca PROCARBOXYPEPTIDASE
A PCPA

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 LEU A 280
TRP A  38
ASP A  53
SER A  16
TYR A 198
 None
 1.41A 2y00B-1pcaA:
undetectable		 2y00B-1pcaA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A  46
ASP A  11
VAL A  37
SER A 128
PHE A 165
 None
CA  A2001 (-3.1A)
None
None
GOL  A3005 ( 4.5A)
 1.44A 2y00B-1q8fA:
undetectable		 2y00B-1q8fA:
21.91
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 VAL A 145
TRP A 189
VAL A 110
SER A 124
ASN A 131
 None
 1.43A 2y00B-1wkrA:
undetectable		 2y00B-1wkrA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 VAL A 227
THR A 208
VAL A 160
PHE A 275
ASN A 274
 None
 1.32A 2y00B-1yw6A:
undetectable		 2y00B-1yw6A:
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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		5 LEU A  24
VAL A  25
VAL A  99
PHE A  77
PHE A  78
 None
 1.29A 2y00B-2arhA:
undetectable		 2y00B-2arhA:
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 LEU A  62
VAL A  61
THR A 252
SER A 235
ASN A 183
 None
None
None
None
ZN  A1550 ( 2.6A)
 1.43A 2y00B-2bibA:
undetectable		 2y00B-2bibA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bpa PROTEIN (SUBUNIT OF
BACTERIOPHAGE
PHIX174)

(Escherichia
virus phiX174) 		PF02306
(Phage_G) 		5 LEU 2  42
VAL 2 159
THR 2  34
SER 2  98
PHE 2  94
 None
 1.47A 2y00B-2bpa2:
undetectable		 2y00B-2bpa2:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 LEU A 445
TRP A 465
THR A 457
ASP A 463
TYR A 198
 None
None
None
None
FMT  A1802 (-3.1A)
 1.34A 2y00B-2c4mA:
undetectable		 2y00B-2c4mA:
18.00
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.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 VAL A 338
THR A  34
ASP A  18
VAL A  17
TYR A 313
 None
 1.16A 2y00B-2j1nA:
undetectable		 2y00B-2j1nA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhq NTPASE P4

(Pseudomonas
phage phi12) 		PF11602
(NTPase_P4) 		5 LEU A  99
VAL A  46
SER A 208
PHE A 169
ASN A 170
 None
 1.41A 2y00B-2vhqA:
undetectable		 2y00B-2vhqA:
20.28
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.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 301
VAL A  50
ASP A  97
VAL A 129
TYR A 155
 None
 1.47A 2y00B-2wuaA:
undetectable		 2y00B-2wuaA:
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.
2x5d PROBABLE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00155
(Aminotran_1_2) 		5 LEU A 310
VAL A 311
SER A 243
ASN A 182
TYR A 218
 None
None
PLP  A1400 ( 2.9A)
PLP  A1400 (-3.3A)
None
 1.49A 2y00B-2x5dA:
undetectable		 2y00B-2x5dA:
23.08
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 TRP A  40
THR A  44
SER A 123
SER A 119
PHE A 490
 None
None
None
None
3ES  A1611 (-4.7A)
 1.37A 2y00B-2xydA:
undetectable		 2y00B-2xydA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yev CAA3-TYPE CYTOCHROME
OXIDASE SUBUNIT IV
CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3)
no annotation 		5 LEU C  43
VAL C  39
VAL A 733
PHE A 703
ASN A 663
 None
 1.20A 2y00B-2yevC:
undetectable		 2y00B-2yevC:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 LEU A  52
VAL A  48
TRP A 411
ASN A 113
TYR A 416
 None
 1.31A 2y00B-2yheA:
undetectable		 2y00B-2yheA:
19.61
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.
3bij UNCHARACTERIZED
PROTEIN GSU0716

(Geobacter
sulfurreducens) 		PF00656
(Peptidase_C14) 		5 LEU A  11
THR A 102
VAL A  88
PHE A 182
TYR A  19
 None
 1.41A 2y00B-3bijA:
undetectable		 2y00B-3bijA:
24.47
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.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 482
ASP A 379
VAL A 380
PHE A  55
ASN A  83
 None
None
FAD  A 612 ( 3.8A)
None
None
 1.48A 2y00B-3eyaA:
undetectable		 2y00B-3eyaA:
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.
3fyf PROTEIN BVU-3222

(Bacteroides
vulgatus) 		PF14059
(DUF4251) 		5 LEU A  68
VAL A  67
THR A 166
SER A 172
TYR A 141
 None
 1.44A 2y00B-3fyfA:
undetectable		 2y00B-3fyfA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		5 LEU A 195
VAL A 200
VAL A 165
ASN A   5
TYR A 188
 None
 1.36A 2y00B-3kveA:
undetectable		 2y00B-3kveA:
21.47
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.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 LEU A 428
VAL A 427
SER A   2
SER A   3
TYR A 266
 None
 1.21A 2y00B-3lovA:
undetectable		 2y00B-3lovA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p56 RIBONUCLEASE H2
SUBUNIT A

(Homo sapiens) 		PF01351
(RNase_HII) 		5 LEU A 100
THR A 120
ASP A 119
SER A 156
TYR A 111
 None
 1.36A 2y00B-3p56A:
undetectable		 2y00B-3p56A:
21.64
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 110
VAL A 111
SER A 192
PHE A 345
PHE A 346
TYR A 373
 ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 (-3.3A)
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 1.09A 2y00B-3pblA:
32.3		 2y00B-3pblA:
29.71
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 LEU A  89
ASP A 110
VAL A 111
SER A 192
PHE A 345
PHE A 346
TYR A 373
 None
ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 (-3.3A)
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 0.93A 2y00B-3pblA:
32.3		 2y00B-3pblA:
29.71
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 LEU A  89
ASP A 110
VAL A 111
SER A 196
PHE A 345
PHE A 346
TYR A 373
 None
ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 ( 4.6A)
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 0.72A 2y00B-3pblA:
32.3		 2y00B-3pblA:
29.71
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A  87
VAL A 111
SER A 196
PHE A 346
TYR A 373
 None
ETQ  A1200 (-3.4A)
ETQ  A1200 ( 4.6A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 1.38A 2y00B-3pblA:
32.3		 2y00B-3pblA:
29.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 203
SER A 207
PHE A 289
PHE A 290
ASN A 293
TYR A 316
 None
ERC  A1201 ( 4.6A)
ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
ERC  A1201 (-2.8A)
ERC  A1201 (-2.7A)
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
ERC  A1201 (-3.5A)
None
 0.56A 2y00B-3pdsA:
38.3		 2y00B-3pdsA:
42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		8 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 207
PHE A 289
PHE A 290
TYR A 316
 None
ERC  A1201 ( 4.6A)
ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
ERC  A1201 (-2.7A)
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
None
 1.41A 2y00B-3pdsA:
38.3		 2y00B-3pdsA:
42.70
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.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		5 LEU A 144
TRP A 102
ASP A  38
PHE A  55
TYR A 126
 None
 1.30A 2y00B-3simA:
undetectable		 2y00B-3simA:
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.
3t2n SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09272
(Hepsin-SRCR) 		5 LEU A 199
VAL A 198
ASP A 257
SER A 251
PHE A 246
 None
 1.45A 2y00B-3t2nA:
undetectable		 2y00B-3t2nA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 LEU B 241
VAL B 237
ASP B 168
VAL B 169
TYR B 266
 None
 1.48A 2y00B-3vsjB:
undetectable		 2y00B-3vsjB:
22.00
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.
3wge THIOREDOXIN
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00085
(Thioredoxin) 		5 LEU A 286
TRP A 227
VAL A 245
PHE A 268
ASN A 257
 None
 1.38A 2y00B-3wgeA:
undetectable		 2y00B-3wgeA:
14.92
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 LEU A  99
VAL A 102
TRP A  93
PHE A  54
PHE A  10
 None
 1.33A 2y00B-3wibA:
undetectable		 2y00B-3wibA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		6 TRP A 109
ASP A 113
VAL A 114
SER A 207
PHE A 262
TYR A 288
 None
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.6A)
CAU  A 500 (-4.6A)
 1.48A 2y00B-4gbrA:
39.0		 2y00B-4gbrA:
58.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		7 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 203
PHE A 261
PHE A 262
 None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
 1.32A 2y00B-4gbrA:
39.0		 2y00B-4gbrA:
58.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		9 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 203
SER A 207
PHE A 261
PHE A 262
TYR A 288
 None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
CAU  A 500 (-4.6A)
 0.70A 2y00B-4gbrA:
39.0		 2y00B-4gbrA:
58.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		9 TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 207
PHE A 261
PHE A 262
ASN A 265
TYR A 288
 None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
CAU  A 500 (-3.4A)
CAU  A 500 (-4.6A)
 0.63A 2y00B-4gbrA:
39.0		 2y00B-4gbrA:
58.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h14 SPIKE GLYCOPROTEIN

(Betacoronavirus
1) 		PF16451
(Spike_NTD) 		5 LEU A 155
VAL A 140
THR A 224
VAL A 229
PHE A 104
 None
 1.41A 2y00B-4h14A:
undetectable		 2y00B-4h14A:
21.99
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.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		5 LEU A  57
VAL A  53
VAL A 332
SER A 349
PHE A 339
 None
 1.49A 2y00B-4i3hA:
undetectable		 2y00B-4i3hA:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 LEU A 166
VAL A 114
THR A 237
PHE A 480
ASN A 479
 None
None
NAD  A 601 (-4.2A)
None
None
 1.36A 2y00B-4i8qA:
undetectable		 2y00B-4i8qA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 TRP A 131
ASP A 135
VAL A 136
PHE A 340
PHE A 341
ASN A 344
TYR A 370
 None
ERM  A2001 (-3.2A)
ERM  A2001 (-3.8A)
ERM  A2001 (-4.3A)
None
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.8A)
 0.67A 2y00B-4ib4A:
27.9		 2y00B-4ib4A:
28.44
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.
4iop C-TYPE LECTIN DOMAIN
FAMILY 2 MEMBER A

(Homo sapiens) 		PF00059
(Lectin_C) 		5 VAL A 154
TRP A 137
THR A  98
ASP A  97
PHE A  70
 None
None
None
NAG  A 201 ( 3.7A)
None
 1.44A 2y00B-4iopA:
undetectable		 2y00B-4iopA:
19.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 TRP A1109
THR A1110
ASP A1113
VAL A1114
SER A1203
PHE A1290
TYR A1316
 None
P0G  A1401 ( 3.9A)
P0G  A1401 (-2.9A)
P0G  A1401 (-3.7A)
P0G  A1401 (-2.9A)
P0G  A1401 ( 4.9A)
None
 1.36A 2y00B-4ldeA:
32.8		 2y00B-4ldeA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TRP A1109
THR A1110
ASP A1113
VAL A1114
SER A1203
SER A1207
PHE A1289
PHE A1290
ASN A1293
TYR A1316
 None
P0G  A1401 ( 3.9A)
P0G  A1401 (-2.9A)
P0G  A1401 (-3.7A)
P0G  A1401 (-2.9A)
P0G  A1401 (-2.8A)
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
P0G  A1401 (-3.0A)
None
 0.75A 2y00B-4ldeA:
32.8		 2y00B-4ldeA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A1117
SER A1207
PHE A1289
PHE A1290
ASN A1293
 P0G  A1401 ( 4.4A)
P0G  A1401 (-2.8A)
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
P0G  A1401 (-3.0A)
 1.35A 2y00B-4ldeA:
32.8		 2y00B-4ldeA:
42.33
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.
4lqc TCPB

(Brucella
melitensis) 		PF13676
(TIR_2) 		5 LEU A 169
THR A 197
SER A 223
PHE A 183
PHE A 184
 None
 1.39A 2y00B-4lqcA:
undetectable		 2y00B-4lqcA:
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		5 THR A 163
SER A 170
PHE A 140
PHE A 134
TYR A 147
 None
 1.44A 2y00B-4mdpA:
undetectable		 2y00B-4mdpA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmh HEPARINASE III
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 LEU A 643
VAL A 656
THR A 499
SER A 395
PHE A 402
 None
 1.48A 2y00B-4mmhA:
undetectable		 2y00B-4mmhA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myw ENVELOPE
GLYCOPROTEIN D

(Human
alphaherpesvirus
2) 		PF01537
(Herpes_glycop_D) 		5 VAL A 212
THR A  96
VAL A 168
SER A  75
TYR A 100
 None
 1.40A 2y00B-4mywA:
undetectable		 2y00B-4mywA:
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.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		5 VAL A 272
TRP A 116
VAL A 145
ASN A 184
TYR A 194
 None
None
None
None
MLI  A 302 (-4.1A)
 1.19A 2y00B-4otkA:
undetectable		 2y00B-4otkA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4owt INTEGRATOR COMPLEX
SUBUNIT 3
SOSS COMPLEX SUBUNIT
C

(Homo sapiens) 		PF10189
(Ints3)
PF15925
(SOSSC) 		5 LEU A 305
VAL A 217
SER C  79
SER C  80
ASN A 390
 None
 1.44A 2y00B-4owtA:
undetectable		 2y00B-4owtA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		5 LEU A 199
VAL A 195
TRP A  78
ASP A  81
VAL A  82
 None
 1.29A 2y00B-4rncA:
undetectable		 2y00B-4rncA:
23.10
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 LEU A 301
THR A 367
ASP A 390
SER A 455
TYR A 363
 None
 1.50A 2y00B-4txgA:
undetectable		 2y00B-4txgA:
16.23
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		5 LEU A 213
VAL A 212
THR A 171
ASP A 172
VAL A 173
 None
 1.21A 2y00B-4wd0A:
undetectable		 2y00B-4wd0A:
23.28
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		5 LEU A 456
VAL A 424
ASP A 444
SER A 180
PHE A 516
 None
 1.29A 2y00B-4xbrA:
undetectable		 2y00B-4xbrA:
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.
4xvm DNA POLYMERASE NU

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 LEU A 306
VAL A 305
THR A 224
PHE A 197
ASN A 394
 None
 1.19A 2y00B-4xvmA:
undetectable		 2y00B-4xvmA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cg0 BETA-GLUCOSIDASE

(Spodoptera
frugiperda) 		PF00232
(Glyco_hydro_1) 		5 LEU A 219
VAL A 220
SER A 358
PHE A 251
ASN A 249
 None
 1.48A 2y00B-5cg0A:
undetectable		 2y00B-5cg0A:
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.
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 LEU A 281
VAL A 268
SER A  17
PHE A  22
ASN A  59
 None
 1.45A 2y00B-5dxiA:
undetectable		 2y00B-5dxiA:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 12 LEU B 101
VAL B 102
TRP B 117
THR B 118
ASP B 121
VAL B 122
SER B 211
SER B 215
PHE B 306
PHE B 307
ASN B 310
TYR B 333
 None
None
P32  B 400 (-4.8A)
P32  B 400 (-3.8A)
P32  B 400 (-2.2A)
P32  B 400 (-3.5A)
P32  B 400 (-2.7A)
P32  B 400 ( 4.2A)
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
P32  B 400 (-4.6A)
 0.62A 2y00B-5f8uB:
39.8		 2y00B-5f8uB:
99.37
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.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 VAL A 334
THR A  34
ASP A  18
VAL A  17
TYR A 309
 None
 1.15A 2y00B-5fvnA:
undetectable		 2y00B-5fvnA:
20.00
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.
5g52 VP2

(Deformed wing
virus) 		PF00073
(Rhv) 		5 ASP B  53
VAL B  52
SER B  48
SER B  43
TYR B  55
 None
 1.40A 2y00B-5g52B:
undetectable		 2y00B-5g52B:
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.
5gj4 SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B

(Zika virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 TRP B  69
ASP B  71
VAL B  72
SER A  81
ASN B 152
 None
 1.49A 2y00B-5gj4B:
undetectable		 2y00B-5gj4B:
19.93
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA

(Pyrococcus
furiosus) 		PF10418
(DHODB_Fe-S_bind) 		5 LEU S  16
THR S  66
ASP S  57
SER S  61
TYR S 120
 None
 1.44A 2y00B-5jfcS:
undetectable		 2y00B-5jfcS:
22.35
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		5 LEU A 107
VAL A 108
ASP A  86
VAL A  87
TYR A 144
 None
 1.31A 2y00B-5ktkA:
undetectable		 2y00B-5ktkA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5llt NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Plasmodium
falciparum) 		PF01467
(CTP_transf_like) 		5 LEU A 125
VAL A 126
TRP A 119
SER A 168
SER A 169
 None
None
DND  A 301 (-3.6A)
DND  A 301 ( 4.6A)
None
 1.30A 2y00B-5lltA:
undetectable		 2y00B-5lltA:
19.00
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.
5lxv CARBOHYDRATE-BINDING
PROTEIN WP_009985128
SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		5 LEU B 924
VAL B 951
VAL B 901
SER A 148
ASN A 144
 None
 1.45A 2y00B-5lxvB:
undetectable		 2y00B-5lxvB:
13.65
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 LEU A 730
VAL A 729
THR A 672
SER A 708
PHE A 651
 None
 1.44A 2y00B-5m41A:
undetectable		 2y00B-5m41A:
16.08
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 VAL C 372
THR C 358
SER C  91
SER C  94
ASN C 382
 None
None
None
None
SCY  C  88 ( 3.5A)
 1.26A 2y00B-5mg5C:
undetectable		 2y00B-5mg5C:
13.91
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.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		5 LEU A  64
ASP A 142
VAL A 141
SER A 182
TYR A  34
 None
 1.43A 2y00B-5nsqA:
undetectable		 2y00B-5nsqA:
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		5 LEU A 195
VAL A 200
VAL A 165
ASN A   5
TYR A 188
 None
 1.40A 2y00B-5ts5A:
undetectable		 2y00B-5ts5A:
20.00
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 6 TRP A 125
ASP A 129
SER A 212
PHE A 330
PHE A 331
TYR A 359
 None
89F  A1201 (-3.3A)
89F  A1201 ( 3.8A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
 0.82A 2y00B-5v54A:
28.5		 2y00B-5v54A:
14.48
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 5 TRP A 125
ASP A 129
SER A 212
PHE A 330
TYR A 359
 None
89F  A1201 (-3.3A)
89F  A1201 ( 3.8A)
89F  A1201 (-4.1A)
None
 1.30A 2y00B-5v54A:
28.5		 2y00B-5v54A:
14.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 ASP A 115
VAL A 116
SER A 196
PHE A 410
PHE A 411
TYR A 438
 AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-2.8A)
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
None
 1.03A 2y00B-5wivA:
29.7		 2y00B-5wivA:
32.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 ASP A 115
VAL A 116
SER A 196
PHE A 410
PHE A 411
TYR A 438
 AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-2.8A)
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
None
 1.19A 2y00B-5wivA:
29.7		 2y00B-5wivA:
32.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 ASP A 115
VAL A 116
SER A 200
PHE A 410
PHE A 411
TYR A 438
 AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-3.6A)
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
None
 0.79A 2y00B-5wivA:
29.7		 2y00B-5wivA:
32.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A  92
ASP A 115
SER A 196
PHE A 410
PHE A 411
 PEG  A1218 ( 4.6A)
AQD  A1201 (-3.3A)
AQD  A1201 (-2.8A)
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
 1.14A 2y00B-5wivA:
29.7		 2y00B-5wivA:
32.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A  92
ASP A 115
SER A 200
PHE A 410
PHE A 411
 PEG  A1218 ( 4.6A)
AQD  A1201 (-3.3A)
AQD  A1201 (-3.6A)
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
 1.25A 2y00B-5wivA:
29.7		 2y00B-5wivA:
32.39
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 5 LEU A 235
VAL A 232
THR A 241
VAL A 364
ASN A 107
 None
None
HEM  A 501 (-3.4A)
HEM  A 501 (-4.4A)
None
 1.36A 2y00B-5yhjA:
undetectable		 2y00B-5yhjA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysb LIN1841 PROTEIN

(Listeria
innocua) 		no annotation 5 LEU A  37
VAL A  64
VAL A 114
SER A 122
ASN A 303
 None
 1.35A 2y00B-5ysbA:
undetectable		 2y00B-5ysbA:
14.23
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.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 5 THR A 407
ASP A 404
VAL A 403
SER A 335
SER A 365
 None
 1.22A 2y00B-6bfnA:
2.0		 2y00B-6bfnA:
14.01
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 7 TRP A 130
ASP A 134
SER A 219
PHE A 327
PHE A 328
ASN A 331
TYR A 358
 None
E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
None
 1.14A 2y00B-6bqhA:
31.3		 2y00B-6bqhA:
14.29
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 5 TRP A 130
ASP A 134
SER A 219
PHE A 328
TYR A 358
 None
E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.4A)
None
 1.50A 2y00B-6bqhA:
31.3		 2y00B-6bqhA:
14.29
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 TRP A 130
ASP A 134
VAL A 135
PHE A 327
PHE A 328
TYR A 358
 None
E2J  A1201 (-3.0A)
E2J  A1201 (-3.8A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
 0.83A 2y00B-6bqhA:
31.3		 2y00B-6bqhA:
14.29
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 7 LEU A  94
ASP A 114
VAL A 115
SER A 197
PHE A 389
PHE A 390
TYR A 416
 None
8NU  A2001 ( 3.0A)
8NU  A2001 ( 3.5A)
8NU  A2001 ( 3.6A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.9A)
 0.90A 2y00B-6cm4A:
30.6		 2y00B-6cm4A:
18.01
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.
6cri -

(-) 		no annotation 5 VAL M 392
THR M 413
VAL M 179
SER M 192
TYR M 267
 None
 1.29A 2y00B-6criM:
undetectable		 2y00B-6criM:
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 5 TRP S 125
ASP S 129
SER S 212
PHE S 330
PHE S 331
 None
EP5  S 401 (-3.3A)
EP5  S 401 (-3.3A)
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
 1.12A 2y00B-6g79S:
28.3		 2y00B-6g79S:
14.22
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 6 TRP S 125
ASP S 129
SER S 212
PHE S 330
PHE S 331
TYR S 359
 None
EP5  S 401 (-3.3A)
EP5  S 401 (-3.3A)
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
EP5  S 401 ( 4.9A)
 0.82A 2y00B-6g79S:
28.3		 2y00B-6g79S:
14.22