SIMILAR PATTERNS OF AMINO ACIDS FOR 6AY4_A_TPFA506_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.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN

(Erythrina
crista-galli) 		PF00139
(Lectin_legB) 		5 TYR A 172
PHE A  93
ALA A 125
THR A 123
LEU A 204
 None
 1.48A 6ay4A-1gzcA:
undetectable		 6ay4A-1gzcA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT

(Escherichia
coli) 		PF00161
(RIP) 		5 TYR A  90
MET A 108
ALA A  79
PHE A  92
LEU A 142
 None
None
None
FMT  A3015 ( 4.9A)
None
 1.35A 6ay4A-1r4pA:
undetectable		 6ay4A-1r4pA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 TYR A 188
ALA A 159
PHE A 162
ALA A 163
LEU A 170
 TYR  A 188 ( 1.3A)
ALA  A 159 ( 0.0A)
PHE  A 162 ( 1.3A)
ALA  A 163 ( 0.0A)
LEU  A 170 ( 0.6A)
 1.26A 6ay4A-1rrvA:
undetectable		 6ay4A-1rrvA:
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 MET A  43
ALA A  55
ALA A  59
THR A  63
LEU A 111
 BRF  A1397 (-4.1A)
BRF  A1397 (-3.2A)
BRF  A1397 (-3.5A)
BRF  A1397 ( 4.7A)
None
 1.08A 6ay4A-1uuoA:
undetectable		 6ay4A-1uuoA:
20.87
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.
1wc8 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT3

(Mus musculus) 		PF04051
(TRAPP) 		5 MET A 165
PHE A 103
ALA A  75
ALA A  79
LEU A 107
 None
 1.32A 6ay4A-1wc8A:
undetectable		 6ay4A-1wc8A:
17.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		7 MET A  79
PHE A  83
PHE A 255
ALA A 256
THR A 260
LEU A 321
CYH A 394
 ESL  A 471 ( 4.4A)
None
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
HEM  A 470 (-2.4A)
 1.03A 6ay4A-1x8vA:
41.4		 6ay4A-1x8vA:
32.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		7 TYR A  76
MET A  79
PHE A  83
PHE A 255
THR A 260
LEU A 321
CYH A 394
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.4A)
None
None
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
HEM  A 470 (-2.4A)
 0.90A 6ay4A-1x8vA:
41.4		 6ay4A-1x8vA:
32.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
PHE A 255
ALA A 256
THR A 260
CYH A 394
 ESL  A 471 ( 3.8A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-2.4A)
 1.15A 6ay4A-1x8vA:
41.4		 6ay4A-1x8vA:
32.43
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.
1zlj DORMANCY SURVIVAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00196
(GerE) 		5 MET A 194
ALA A 201
PHE A 203
ALA A 204
LEU A 150
 None
 1.40A 6ay4A-1zljA:
undetectable		 6ay4A-1zljA:
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 TYR A  31
PHE A 317
ALA A  40
THR A  53
LEU A  55
 None
 1.13A 6ay4A-2afbA:
undetectable		 6ay4A-2afbA:
20.73
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		5 TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
 None
 1.47A 6ay4A-2fe8A:
undetectable		 6ay4A-2fe8A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q22 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF08854
(DUF1824) 		5 PHE A 137
TYR A  71
ALA A  74
LEU A  18
CYH A 117
 None
 1.35A 6ay4A-2q22A:
undetectable		 6ay4A-2q22A:
14.42
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 PHE B 376
TYR B 319
ALA B 373
ALA B 369
LEU B 741
 None
 1.27A 6ay4A-2w55B:
undetectable		 6ay4A-2w55B:
20.30
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 TYR A 243
ALA A 251
PHE A 250
ALA A 249
CYH A 197
 None
 1.48A 6ay4A-2xsrA:
undetectable		 6ay4A-2xsrA:
22.67
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.
3f40 UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Cytophaga
hutchinsonii) 		PF12680
(SnoaL_2) 		5 TYR A  60
ALA A  86
PHE A 105
LEU A 101
CYH A  73
 None
 1.24A 6ay4A-3f40A:
undetectable		 6ay4A-3f40A:
13.70
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.
3f40 UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Cytophaga
hutchinsonii) 		PF12680
(SnoaL_2) 		5 TYR A  60
MET A  80
ALA A  86
PHE A 105
LEU A 101
 None
 1.48A 6ay4A-3f40A:
undetectable		 6ay4A-3f40A:
13.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
ALA A 287
ALA A 291
LEU A 356
CYH A 422
 None
VNF  A 490 ( 3.8A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
None
HEM  A 488 (-2.2A)
 0.91A 6ay4A-3kswA:
38.5		 6ay4A-3kswA:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		8 TYR A 103
MET A 106
PHE A 110
ALA A 287
PHE A 290
ALA A 291
THR A 295
CYH A 422
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
HEM  A 488 (-2.2A)
 0.95A 6ay4A-3kswA:
38.5		 6ay4A-3kswA:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
MET A 106
PHE A 110
TYR A 116
CYH A 422
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 (-4.6A)
HEM  A 488 (-2.2A)
 1.01A 6ay4A-3kswA:
38.5		 6ay4A-3kswA:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		9 MET A 105
PHE A 109
TYR A 115
ALA A 286
PHE A 289
ALA A 290
THR A 294
LEU A 355
CYH A 422
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-2.2A)
 0.86A 6ay4A-3l4dA:
46.5		 6ay4A-3l4dA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		6 MET A 105
TYR A 102
PHE A 289
ALA A 290
THR A 294
CYH A 422
 TPF  A 490 ( 4.0A)
HEM  A 481 (-4.7A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
HEM  A 481 (-2.2A)
 1.26A 6ay4A-3l4dA:
46.5		 6ay4A-3l4dA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		9 TYR A 102
MET A 105
PHE A 109
TYR A 115
ALA A 286
PHE A 289
THR A 294
LEU A 355
CYH A 422
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-2.2A)
 0.85A 6ay4A-3l4dA:
46.5		 6ay4A-3l4dA:
36.02
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		5 TYR A 118
ALA A 152
PHE A 184
ALA A 148
THR A 173
 None
 1.26A 6ay4A-3pb0A:
undetectable		 6ay4A-3pb0A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		5 MET A 284
PHE A 294
ALA A 245
ALA A 249
LEU A 316
 None
 1.29A 6ay4A-3wiwA:
undetectable		 6ay4A-3wiwA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		5 TYR A 529
ALA A  70
ALA A  84
THR A  82
LEU A 515
 None
None
None
NFU  A1004 (-4.0A)
NFU  A1004 (-3.7A)
 1.45A 6ay4A-4c3oA:
undetectable		 6ay4A-4c3oA:
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A  84
PHE A  73
TYR A  75
ALA A  50
LEU A 193
 None
 1.50A 6ay4A-4cgyA:
undetectable		 6ay4A-4cgyA:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 MET A 106
PHE A 110
TYR A 103
ALA A 115
CYH A 422
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 4.7A)
HEM  A 501 (-2.3A)
 1.45A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		9 MET A 106
PHE A 110
TYR A 103
ALA A 287
PHE A 290
ALA A 291
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 0.95A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		7 PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 0.92A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 TYR A 103
MET A 106
PHE A 290
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 1.10A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 TYR A 103
TYR A 116
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 1.24A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
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.
4i5u CHIMERIC CEL6A

(Chaetomium
thermophilum;
Humicola
insolens;
Trichoderma
reesei) 		PF01341
(Glyco_hydro_6) 		5 PHE A 334
ALA A 281
PHE A 284
ALA A 285
LEU A 297
 None
 1.20A 6ay4A-4i5uA:
undetectable		 6ay4A-4i5uA:
22.43
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.
4izd ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		5 MET A 159
ALA A 125
ALA A 121
THR A 148
LEU A 139
 None
 1.42A 6ay4A-4izdA:
undetectable		 6ay4A-4izdA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		6 TYR A 131
PHE A 139
TYR A 145
ALA A 311
THR A 315
CYH A 449
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 (-2.3A)
 0.67A 6ay4A-4uhiA:
48.1		 6ay4A-4uhiA:
39.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		6 TYR A 122
PHE A 130
TYR A 136
ALA A 303
ALA A 307
CYH A 463
 VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.4A)
VOR  A 590 ( 4.0A)
HEM  A 580 (-2.3A)
 0.80A 6ay4A-4uymA:
43.8		 6ay4A-4uymA:
35.33
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 MET A 604
ALA A 645
PHE A 646
ALA A 647
LEU A 677
 None
GOL  A 915 ( 4.5A)
None
None
None
 1.40A 6ay4A-4xriA:
undetectable		 6ay4A-4xriA:
18.39
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 MET A 779
ALA A 811
ALA A 815
THR A 819
CYH A 633
 None
 1.23A 6ay4A-4yswA:
undetectable		 6ay4A-4yswA:
17.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
PHE A 126
PHE A 228
THR A 311
LEU A 376
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.9A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
 1.40A 6ay4A-5fsaA:
40.6		 6ay4A-5fsaA:
36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
PHE A 126
THR A 311
LEU A 376
CYH A 470
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
HEM  A 580 (-2.2A)
 0.86A 6ay4A-5fsaA:
40.6		 6ay4A-5fsaA:
36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
TYR A 132
PHE A 228
THR A 311
LEU A 376
 X2N  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.9A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
 1.23A 6ay4A-5fsaA:
40.6		 6ay4A-5fsaA:
36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
TYR A 132
THR A 311
LEU A 376
CYH A 470
 X2N  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
HEM  A 580 (-2.2A)
 0.66A 6ay4A-5fsaA:
40.6		 6ay4A-5fsaA:
36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		6 TYR A 126
PHE A 134
TYR A 140
PHE A 236
THR A 318
LEU A 380
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.4A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
 1.37A 6ay4A-5hs1A:
42.8		 6ay4A-5hs1A:
32.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		6 TYR A 126
PHE A 134
TYR A 140
THR A 318
LEU A 380
CYH A 470
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
HEM  A 601 (-2.4A)
 0.71A 6ay4A-5hs1A:
42.8		 6ay4A-5hs1A:
32.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 TYR A 127
PHE A 135
TYR A 141
PHE A 237
LEU A 381
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
1YN  A 602 (-4.5A)
1YN  A 602 ( 4.7A)
 1.31A 6ay4A-5jlcA:
42.3		 6ay4A-5jlcA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 TYR A 127
PHE A 135
TYR A 141
THR A 319
LEU A 381
CYH A 472
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
HEM  A 601 (-2.3A)
 0.62A 6ay4A-5jlcA:
42.3		 6ay4A-5jlcA:
32.26
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.
5kol UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF02464
(CinA) 		5 MET A 146
PHE A 148
ALA A 159
PHE A 162
ALA A 163
 None
 1.46A 6ay4A-5kolA:
undetectable		 6ay4A-5kolA:
17.19
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.
5kvk PROTEIN KP700603

(Klebsiella
pneumoniae) 		PF02464
(CinA) 		5 MET A 141
PHE A 143
ALA A 154
PHE A 157
ALA A 158
 None
 1.32A 6ay4A-5kvkA:
undetectable		 6ay4A-5kvkA:
14.10
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 TYR A 267
PHE A 293
ALA A 261
LEU A 180
CYH A 222
 None
 1.38A 6ay4A-5lgxA:
undetectable		 6ay4A-5lgxA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF02669
(KdpC)
PF03814
(KdpA) 		5 TYR A  62
MET A  57
ALA C   7
THR C  10
LEU A 170
 None
 1.20A 6ay4A-5mrwA:
undetectable		 6ay4A-5mrwA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uwa PROBABLE
PHOSPHOLIPID-BINDING
PROTEIN MLAC

(Escherichia
coli) 		PF05494
(MlaC) 		5 MET A 166
PHE A 150
ALA A  35
THR A  38
LEU A 109
 8ND  A 301 ( 3.9A)
8ND  A 301 (-4.0A)
8ND  A 301 ( 4.2A)
8ND  A 301 ( 4.8A)
None
 1.40A 6ay4A-5uwaA:
2.0		 6ay4A-5uwaA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 PHE A 297
ALA A 298
THR A 302
LEU A 363
CYH A 436
 9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
HEM  A 501 (-4.3A)
HEM  A 501 (-2.0A)
 0.76A 6ay4A-5wbgA:
31.7		 6ay4A-5wbgA:
14.25