SIMILAR PATTERNS OF AMINO ACIDS FOR 2XPW_A_OTCA222_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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 LEU A 175
PHE A  92
PRO A  16
ILE A 157
SER A  93
 None
 1.39A 2xpwA-1dppA:
undetectable		 2xpwA-1dppA:
17.32
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A1546
PRO A1545
VAL A1304
ILE A1316
SER A1310
 None
 1.35A 2xpwA-1e6yA:
undetectable		 2xpwA-1e6yA:
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		5 LEU A  38
SER A  64
ASN A  18
PRO A  14
VAL A  66
 None
 1.47A 2xpwA-1ks5A:
undetectable		 2xpwA-1ks5A:
21.29
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.
1lkf LEUKOCIDIN F SUBUNIT

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		5 LEU A  51
SER A 227
ARG A 232
VAL A  97
SER A  88
 None
 1.44A 2xpwA-1lkfA:
undetectable		 2xpwA-1lkfA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
 0.76A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		6 HIS A  64
SER A  67
ASN A  82
VAL A 113
GLN A 116
ILE A 134
 None
 0.82A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
GLN A 116
ILE A 134
SER A 138
 None
 0.78A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
HIS A 100
GLN A 116
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
 0.75A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 LEU A  60
PHE A  86
HIS A 100
PRO A 105
SER A 138
 None
None
IMD  A   1 (-4.0A)
IMD  A   1 ( 4.9A)
None
 0.74A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 SER A  67
ARG A 102
PRO A 100
VAL A  71
ILE A  57
 None
 1.35A 2xpwA-1x25A:
undetectable		 2xpwA-1x25A:
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 5 LEU A  93
PRO A   9
VAL A 205
ILE A 242
SER A 249
 None
 1.47A 2xpwA-1y8aA:
undetectable		 2xpwA-1y8aA:
22.32
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.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		5 PHE A 256
HIS A   9
GLN A  39
ILE A 251
SER A 258
 BME  A 316 (-4.7A)
ZN  A 315 ( 3.3A)
BME  A 316 ( 4.9A)
None
BME  A 316 ( 4.7A)
 1.22A 2xpwA-1zswA:
0.0		 2xpwA-1zswA:
17.44
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 LEU A 261
SER A  40
PHE A  36
HIS A  25
SER A  35
 None
 1.48A 2xpwA-2zieA:
0.0		 2xpwA-2zieA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		5 LEU A 236
SER A 201
ASN A 202
PHE A 204
ILE A 138
 MLA  A 302 (-3.9A)
MLA  A 302 (-2.6A)
None
None
None
 1.10A 2xpwA-3fssA:
undetectable		 2xpwA-3fssA:
23.98
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 LEU A  79
HIS A  92
SER A  91
VAL A 307
SER A 388
 None
 1.44A 2xpwA-3hhsA:
0.0		 2xpwA-3hhsA:
15.16
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 LEU A 178
HIS A 173
SER A 164
ILE A 226
SER A 151
 None
 1.40A 2xpwA-3hmuA:
undetectable		 2xpwA-3hmuA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 LEU A 137
HIS A 142
SER A 202
ILE A 226
SER A 291
 None
 1.30A 2xpwA-3huuA:
0.1		 2xpwA-3huuA:
23.86
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus) 		PF00346
(Complex1_49kDa) 		5 HIS 4  89
SER 4 124
ASN 4 121
HIS 4  93
ILE 4 173
 None
 1.48A 2xpwA-3i9v4:
1.2		 2xpwA-3i9v4:
20.69
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.
3kg5 B-CELL ANTIGEN
RECEPTOR
COMPLEX-ASSOCIATED
PROTEIN BETA CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 SER A  69
ASN A  68
VAL A  74
GLN A 124
ILE A  46
 None
 1.41A 2xpwA-3kg5A:
undetectable		 2xpwA-3kg5A:
19.90
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.
3lm7 PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE /
2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Yersinia
enterocolitica) 		PF07071
(KDGP_aldolase) 		5 SER A 102
ARG A  75
VAL A  95
GLN A  94
SER A  41
 None
 1.43A 2xpwA-3lm7A:
undetectable		 2xpwA-3lm7A:
23.60
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 HIS A 302
SER A 214
ASN A 224
ARG A 291
VAL A 245
 None
 1.44A 2xpwA-3s2jA:
undetectable		 2xpwA-3s2jA:
22.42
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 LEU A 448
SER A 392
ASN A 391
PHE A 364
ILE A 225
 None
 1.50A 2xpwA-3wbhA:
undetectable		 2xpwA-3wbhA:
18.02
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.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 5 LEU A 102
SER A 387
ASN A 529
PRO A 449
SER A 381
 None
None
None
LYS  A 801 (-4.4A)
None
 1.21A 2xpwA-3wevA:
undetectable		 2xpwA-3wevA:
13.79
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.
3wpw POMB

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 LEU A 203
PHE A 207
ARG A 295
VAL A 227
ILE A 188
 None
 1.46A 2xpwA-3wpwA:
undetectable		 2xpwA-3wpwA:
23.58
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.
3wya ELONGATION FACTOR
1-ALPHA

(Pyrococcus
horikoshii) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PHE A 407
ARG A 388
PRO A 389
VAL A 393
ILE A 424
 None
 1.48A 2xpwA-3wyaA:
undetectable		 2xpwA-3wyaA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
 MIY  A1204 ( 4.9A)
MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.2A)
MIY  A1204 (-4.4A)
 0.83A 2xpwA-4ac0A:
25.6		 2xpwA-4ac0A:
65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
 MIY  A1204 ( 4.9A)
MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.4A)
MIY  A1204 (-2.8A)
 0.42A 2xpwA-4ac0A:
25.6		 2xpwA-4ac0A:
65.35
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.
4bok ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03663
(Glyco_hydro_76) 		5 LEU A  81
ASN A  49
PHE A  48
VAL A 105
GLN A 101
 None
 1.17A 2xpwA-4bokA:
undetectable		 2xpwA-4bokA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 LEU A  60
HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
GLN A 116
 None
 0.88A 2xpwA-4d5cA:
25.7		 2xpwA-4d5cA:
59.81
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 510
HIS A 506
SER A 101
PRO A 158
VAL A 209
 None
FAD  A 601 (-4.6A)
CME  A 102 ( 4.1A)
None
None
 1.43A 2xpwA-4ha6A:
undetectable		 2xpwA-4ha6A:
16.80
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.
4i16 CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 11

(Mus musculus) 		PF00619
(CARD) 		5 LEU A  46
PHE A  91
ARG A  72
PRO A  39
VAL A  60
 None
None
SO4  A 202 ( 3.0A)
None
None
 1.48A 2xpwA-4i16A:
undetectable		 2xpwA-4i16A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j72 PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

(Aquifex
aeolicus) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 LEU A 210
PHE A 288
VAL A 103
ILE A 182
SER A 185
 None
 1.18A 2xpwA-4j72A:
1.5		 2xpwA-4j72A:
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.
4knc ALGINATE
BIOSYNTHESIS PROTEIN
ALGX

(Pseudomonas
aeruginosa) 		no annotation 5 LEU B 427
ASN B 397
PRO B 341
VAL B 424
ILE B 411
 None
 1.48A 2xpwA-4kncB:
undetectable		 2xpwA-4kncB:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 LEU A 305
PHE A 307
PRO A 346
VAL A 348
ILE A 397
 None
 1.47A 2xpwA-4repA:
1.1		 2xpwA-4repA:
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 LEU A 216
ASN A 247
PHE A 250
VAL A 201
GLN A 243
 None
 1.20A 2xpwA-5c54A:
undetectable		 2xpwA-5c54A:
24.84
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.
5c9y PROTEIN LLR18A

(Lupinus luteus) 		PF00407
(Bet_v_1) 		5 LEU A  22
SER A 101
PHE A 142
PRO A  15
ILE A 112
 None
 1.05A 2xpwA-5c9yA:
undetectable		 2xpwA-5c9yA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 5 LEU B 445
SER B 301
PHE B 187
ILE B 306
SER B 313
 None
 1.48A 2xpwA-5cyrB:
undetectable		 2xpwA-5cyrB:
15.45
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA
T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 LEU b 103
ASN b  71
ARG b 510
VAL b  76
ILE e  73
 None
 1.43A 2xpwA-5gw5b:
1.4		 2xpwA-5gw5b:
19.54
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.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 LEU A 322
PHE A  95
VAL A 103
ILE A 251
SER A 255
 None
 1.44A 2xpwA-5h3aA:
undetectable		 2xpwA-5h3aA:
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2
RNP (RRM RNA BINDING
DOMAIN) CONTAINING

(Caenorhabditis
elegans) 		PF03828
(PAP_assoc)
no annotation 		5 SER A 595
ASN A 598
PHE A 600
ILE E 214
SER A 687
 SO4  A1001 ( 2.4A)
EDO  A1005 (-3.7A)
None
None
None
 1.28A 2xpwA-5jnbA:
undetectable		 2xpwA-5jnbA:
20.06
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.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		5 LEU A 674
PHE A 617
ARG A 635
VAL A 608
ILE A 610
 None
 1.29A 2xpwA-5k7lA:
undetectable		 2xpwA-5k7lA:
13.42
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.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03422
(CBM_6)
PF03663
(Glyco_hydro_76) 		5 LEU A  81
ASN A  49
PHE A  48
VAL A 105
GLN A 101
 None
EDO  A 602 (-3.9A)
None
None
EDO  A 602 ( 3.7A)
 1.17A 2xpwA-5m77A:
undetectable		 2xpwA-5m77A:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 6 LEU A  60
HIS A  64
SER A  67
ASN A  82
HIS A 100
ILE A 137
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
MG  A 302 ( 3.2A)
TDC  A 301 ( 4.5A)
 1.43A 2xpwA-5mruA:
23.4		 2xpwA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 9 LEU A  60
HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
GLN A 116
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
 0.68A 2xpwA-5mruA:
23.4		 2xpwA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 9 LEU A  60
HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
SER A 138
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.70A 2xpwA-5mruA:
23.4		 2xpwA-5mruA:
47.57
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 HIS A 401
HIS A 399
ARG A  76
ILE A 233
SER A 225
 None
None
FMT  A 607 (-3.6A)
None
None
 1.24A 2xpwA-5odoA:
undetectable		 2xpwA-5odoA:
17.42
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 LEU A 286
HIS A 346
PHE A 349
ARG A 367
PRO A 279
 None
None
HEM  A 501 (-4.6A)
None
None
 1.12A 2xpwA-5omsA:
undetectable		 2xpwA-5omsA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u9z PHOSPHOGLYCEROL
TRANSFERASE

(Streptococcus
pyogenes) 		no annotation 5 HIS A 762
SER A 738
ASN A 742
VAL A 706
ILE A 512
 None
 1.38A 2xpwA-5u9zA:
undetectable		 2xpwA-5u9zA:
16.28
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM2

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 LEU 2 793
SER 2 860
HIS 2 809
PRO 2 804
GLN 2 856
 None
 1.49A 2xpwA-5udb2:
1.7		 2xpwA-5udb2:
14.14
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.
6dxt -

(-) 		no annotation 5 LEU A 244
HIS A 275
PRO A 270
VAL A 176
SER A 182
 None
 1.43A 2xpwA-6dxtA:
undetectable		 2xpwA-6dxtA:
undetectable