SIMILAR PATTERNS OF AMINO ACIDS FOR 3E4E_A_4PZA501_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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		3 ALA A 267
THR A 271
CYH A 377
 HEM  A 430 (-3.5A)
HEM  A 430 (-3.7A)
HEM  A 430 (-2.1A)
 0.42A 3e4eA-1cptA:
29.2		 3e4eA-1cptA:
21.96
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		3 ALA A 160
THR A 164
CYH A 174
 None
 0.68A 3e4eA-1cqjA:
undetectable		 3e4eA-1cqjA:
21.26
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.
1eqn DNA PRIMASE

(Escherichia
coli) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		3 ALA A 321
THR A 289
CYH A 306
 None
 0.75A 3e4eA-1eqnA:
undetectable		 3e4eA-1eqnA:
22.49
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 ALA A 242
THR A 246
CYH A 355
 HEM  A1414 ( 3.7A)
HEM  A1414 (-3.7A)
HEM  A1414 (-2.5A)
 0.51A 3e4eA-1gwiA:
28.0		 3e4eA-1gwiA:
24.95
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.
1hg2 CLATHRIN ASSEMBLY
PROTEIN SHORT FORM

(Rattus
norvegicus) 		PF07651
(ANTH) 		3 ALA A  21
THR A  25
CYH A  48
 None
 0.76A 3e4eA-1hg2A:
undetectable		 3e4eA-1hg2A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n1a FKBP52

(Homo sapiens) 		PF00254
(FKBP_C) 		3 ALA A  93
THR A  96
CYH A 103
 None
 0.75A 3e4eA-1n1aA:
undetectable		 3e4eA-1n1aA:
15.15
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.
1n97 CYP175A1

(Thermus
thermophilus) 		PF00067
(p450) 		3 ALA A 221
THR A 225
CYH A 336
 HEM  A 602 (-3.3A)
HEM  A 602 (-3.8A)
HEM  A 602 (-2.2A)
 0.52A 3e4eA-1n97A:
32.0		 3e4eA-1n97A:
26.19
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) 		3 ALA A 294
THR A 298
CYH A 432
 DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
HEM  A 500 (-2.3A)
 0.47A 3e4eA-1nr6A:
51.4		 3e4eA-1nr6A:
57.65
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.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 ALA A 242
THR A 246
CYH A 354
 HEM  A1407 ( 3.4A)
HEM  A1407 ( 3.1A)
HEM  A1407 (-2.3A)
 0.50A 3e4eA-1odoA:
31.2		 3e4eA-1odoA:
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		3 ALA A 254
THR A 258
CYH A 365
 HEM  A 440 (-3.4A)
HEM  A 440 ( 3.8A)
HEM  A 440 (-2.3A)
 0.51A 3e4eA-1q5dA:
29.5		 3e4eA-1q5dA:
25.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ue8 367AA LONG
HYPOTHETICAL
CYTOCHROME P450

(Sulfurisphaera
tokodaii) 		PF00067
(p450) 		3 ALA A 210
THR A 214
CYH A 317
 HEM  A 410 (-4.2A)
HEM  A 410 (-4.1A)
HEM  A 410 (-2.3A)
 0.51A 3e4eA-1ue8A:
31.0		 3e4eA-1ue8A:
25.46
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.
1wfm SYNAPTOTAGMIN XIII

(Homo sapiens) 		PF00168
(C2) 		3 ALA A  35
THR A  37
CYH A  46
 None
 0.52A 3e4eA-1wfmA:
undetectable		 3e4eA-1wfmA:
14.59
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.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ALA A 256
THR A 260
CYH A 394
 ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-2.4A)
 0.52A 3e4eA-1x8vA:
31.5		 3e4eA-1x8vA:
23.43
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.
2bt2 REGULATOR OF
G-PROTEIN SIGNALING
16

(Homo sapiens) 		PF00615
(RGS) 		3 ALA A 155
THR A 159
CYH A  98
 None
 0.79A 3e4eA-2bt2A:
undetectable		 3e4eA-2bt2A:
16.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 305
THR A 309
CYH A 443
 HEM  A 600 (-3.6A)
HEM  A 600 (-3.5A)
HEM  A 600 (-2.4A)
 0.42A 3e4eA-2f9qA:
44.3		 3e4eA-2f9qA:
41.77
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		3 ALA A 169
THR A 173
CYH A 183
 None
 0.69A 3e4eA-2fpgA:
undetectable		 3e4eA-2fpgA:
19.67
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.
2ftr BH0200

(Bacillus
halodurans) 		PF07110
(EthD) 		3 ALA A  32
THR A  35
CYH A  63
 None
UNL  A 109 (-3.7A)
CL  A 108 (-3.8A)
 0.60A 3e4eA-2ftrA:
undetectable		 3e4eA-2ftrA:
11.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 317
THR A 321
CYH A 458
 HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-2.3A)
 0.51A 3e4eA-2hi4A:
43.3		 3e4eA-2hi4A:
32.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 297
THR A 301
CYH A 435
 HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
HEM  A 500 (-2.3A)
 0.52A 3e4eA-2nnjA:
52.3		 3e4eA-2nnjA:
59.12
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.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 302
THR A 306
CYH A 437
 HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-2.3A)
 0.46A 3e4eA-2q9gA:
34.9		 3e4eA-2q9gA:
27.77
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.
2ve3 PUTATIVE CYTOCHROME
P450 120

(Synechocystis
sp. PCC 6803) 		PF00067
(p450) 		3 ALA A 254
THR A 258
CYH A 391
 HEM  A1444 (-3.3A)
HEM  A1444 ( 3.3A)
HEM  A1444 (-2.5A)
 0.63A 3e4eA-2ve3A:
30.0		 3e4eA-2ve3A:
25.96
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.
2wgy CYTOCHROME P450 130

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ALA A 243
THR A 247
CYH A 354
 HEM  A 450 (-3.5A)
HEM  A 450 (-3.6A)
HEM  A 450 (-2.2A)
 0.50A 3e4eA-2wgyA:
27.6		 3e4eA-2wgyA:
22.51
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ALA A 267
THR A 271
CYH A 379
 HEM  A 450 (-3.3A)
HEM  A 450 (-3.1A)
HEM  A 450 (-2.3A)
 0.50A 3e4eA-2wm4A:
30.1		 3e4eA-2wm4A:
23.95
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.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ALA A 268
THR A 272
CYH A 377
 HEM  A1434 (-3.5A)
HEM  A1434 (-3.8A)
HEM  A1434 (-2.3A)
 0.56A 3e4eA-2xn8A:
27.1		 3e4eA-2xn8A:
25.00
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.
2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE

(Nonomuraea
recticatena) 		PF00067
(p450) 		3 ALA A 245
THR A 249
CYH A 356
 HEM  A 450 ( 3.9A)
HEM  A 450 ( 3.7A)
HEM  A 450 ( 2.6A)
 0.52A 3e4eA-2z36A:
29.2		 3e4eA-2z36A:
26.16
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		3 ALA A 254
THR A 258
CYH A 364
 HEM  A 500 ( 3.4A)
HEM  A 500 ( 3.4A)
HEM  A 500 (-2.5A)
 0.66A 3e4eA-2z3tA:
30.6		 3e4eA-2z3tA:
24.49
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		3 ALA A 244
THR A 248
CYH A 355
 HEM  A 413 (-3.5A)
HEM  A 413 (-3.2A)
HEM  A 413 (-2.3A)
 0.57A 3e4eA-2zbzA:
32.6		 3e4eA-2zbzA:
25.00
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		3 ALA A 243
THR A 247
CYH A 353
 HEM  A1430 (-3.5A)
HEM  A1430 (-4.0A)
HEM  A1430 (-2.3A)
 0.55A 3e4eA-3abbA:
30.9		 3e4eA-3abbA:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 310
THR A 314
CYH A 448
 HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
HEM  A 601 (-2.1A)
 0.30A 3e4eA-3c6gA:
48.8		 3e4eA-3c6gA:
37.85
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.
3c7k REGULATOR OF
G-PROTEIN SIGNALING
16

(Mus musculus) 		PF00615
(RGS) 		3 ALA B 154
THR B 158
CYH B  97
 None
 0.77A 3e4eA-3c7kB:
undetectable		 3e4eA-3c7kB:
14.91
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.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME

(Bacillus
subtilis) 		PF00067
(p450) 		3 ALA B 234
THR B 238
CYH B 344
 HEM  B 405 (-3.5A)
HEM  B 405 (-3.7A)
HEM  B 405 (-2.3A)
 0.52A 3e4eA-3ejbB:
33.2		 3e4eA-3ejbB:
24.85
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		3 ALA A 155
THR A 157
CYH A 104
 None
 0.67A 3e4eA-3fd5A:
undetectable		 3e4eA-3fd5A:
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		3 ALA A 326
THR A 289
CYH A  90
 None
None
AHZ  A 500 (-4.9A)
 0.53A 3e4eA-3jskA:
undetectable		 3e4eA-3jskA:
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.
3k9y 1,25-DIHYDROXYVITAMI
N D(3)
24-HYDROXYLASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF00067
(p450) 		3 ALA A 326
THR A 330
CYH A 462
 HEM  A 520 ( 3.3A)
HEM  A 520 ( 3.8A)
HEM  A 520 ( 2.2A)
 0.55A 3e4eA-3k9yA:
33.6		 3e4eA-3k9yA:
28.70
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		3 ALA A 290
THR A 294
CYH A 422
 TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
HEM  A 481 (-2.2A)
 0.42A 3e4eA-3l4dA:
31.1		 3e4eA-3l4dA:
26.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A 217
THR A 220
CYH A 207
 None
 0.79A 3e4eA-3mqtA:
undetectable		 3e4eA-3mqtA:
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		3 ALA A 243
THR A 247
CYH A 355
 HEM  A 501 (-3.5A)
HEM  A 501 (-3.6A)
HEM  A 501 (-2.4A)
 0.43A 3e4eA-3p3lA:
31.2		 3e4eA-3p3lA:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 330
THR A 334
CYH A 470
 HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-2.3A)
 0.50A 3e4eA-3pm0A:
41.8		 3e4eA-3pm0A:
33.84
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.
3r9b CYTOCHROME P450
164A2

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		3 ALA A 256
THR A 260
CYH A 366
 HEM  A 501 ( 3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.3A)
 0.64A 3e4eA-3r9bA:
31.2		 3e4eA-3r9bA:
24.75
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.
3t05 PYRUVATE KINASE

(Staphylococcus
aureus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		3 ALA A 399
THR A 379
CYH A 410
 None
PO4  A 586 (-3.4A)
None
 0.77A 3e4eA-3t05A:
undetectable		 3e4eA-3t05A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		3 ALA A 298
THR A 302
CYH A 436
 CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 (-2.3A)
 0.61A 3e4eA-3tk3A:
48.5		 3e4eA-3tk3A:
49.58
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		3 ALA A 269
THR A 273
CYH A 379
 HEM  A 431 (-3.5A)
HEM  A 431 (-3.8A)
HEM  A 431 (-2.2A)
 0.52A 3e4eA-3tktA:
30.0		 3e4eA-3tktA:
24.90
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.
3wec CYTOCHROME P450

(Rhodococcus
erythropolis) 		PF00067
(p450) 		3 ALA A 253
THR A 257
CYH A 361
 HEM  A 501 ( 3.5A)
HEM  A 501 (-3.5A)
HEM  A 501 (-2.3A)
 0.48A 3e4eA-3wecA:
28.7		 3e4eA-3wecA:
22.33
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		3 ALA A 241
THR A 245
CYH A 353
 HEM  A 501 (-3.8A)
HEM  A 501 (-3.3A)
HEM  A 501 (-2.3A)
 0.65A 3e4eA-3wvsA:
30.0		 3e4eA-3wvsA:
25.30
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		3 ALA A 141
THR A 110
CYH A 159
 None
 0.58A 3e4eA-3zidA:
undetectable		 3e4eA-3zidA:
23.68
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.
4e2p CYTOCHROME P450
107B1 (P450CVIIB1)

(Streptomyces
himastatinicus) 		PF00067
(p450) 		3 ALA A 236
THR A 240
CYH A 346
 HEM  A 401 (-2.9A)
HEM  A 401 (-3.3A)
HEM  A 401 (-2.2A)
 0.62A 3e4eA-4e2pA:
29.8		 3e4eA-4e2pA:
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		3 ALA A 660
THR A 667
CYH A1240
 None
 0.80A 3e4eA-4fwtA:
undetectable		 3e4eA-4fwtA:
16.45
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.
4fxb PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 ALA A 249
THR A 253
CYH A 360
 HEM  A 501 (-3.1A)
HEM  A 501 (-3.9A)
HEM  A 501 (-2.1A)
 0.54A 3e4eA-4fxbA:
27.8		 3e4eA-4fxbA:
25.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		3 ALA A 291
THR A 295
CYH A 422
 HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
HEM  A 501 (-2.3A)
 0.45A 3e4eA-4g3jA:
31.6		 3e4eA-4g3jA:
25.10
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.
4gek TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		3 ALA A  87
THR A  71
CYH A  98
 None
 0.73A 3e4eA-4gekA:
undetectable		 3e4eA-4gekA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 317
THR A 321
CYH A 457
 BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-2.1A)
 0.40A 3e4eA-4i8vA:
44.9		 3e4eA-4i8vA:
35.13
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.
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides) 		PF13407
(Peripla_BP_4) 		3 ALA A 208
THR A 212
CYH A 229
 None
 0.78A 3e4eA-4irxA:
undetectable		 3e4eA-4irxA:
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.
4iwn TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		3 ALA A  87
THR A  71
CYH A  98
 None
 0.79A 3e4eA-4iwnA:
undetectable		 3e4eA-4iwnA:
20.13
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		3 ALA A 244
THR A 248
CYH A 357
 HEM  A 502 (-3.2A)
HEM  A 502 ( 3.4A)
HEM  A 502 (-2.2A)
 0.43A 3e4eA-4j6cA:
30.7		 3e4eA-4j6cA:
22.81
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.
4law PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4

(Homo sapiens) 		PF00254
(FKBP_C) 		3 ALA A  93
THR A  96
CYH A 103
 None
 0.77A 3e4eA-4lawA:
undetectable		 3e4eA-4lawA:
18.35
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) 		3 ALA A 302
THR A 306
CYH A 442
 3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-2.6A)
 0.69A 3e4eA-4nkyA:
43.8		 3e4eA-4nkyA:
31.70
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		3 ALA A 240
THR A 244
CYH A 348
 HEM  A 501 (-3.5A)
HEM  A 501 (-3.1A)
HEM  A 501 (-2.4A)
 0.63A 3e4eA-4oqrA:
27.3		 3e4eA-4oqrA:
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		3 ALA A 240
THR A 244
CYH A 348
 HEM  A 501 (-3.4A)
HEM  A 501 (-3.6A)
HEM  A 501 (-2.3A)
 0.49A 3e4eA-4oqsA:
29.4		 3e4eA-4oqsA:
23.89
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) 		3 ALA A 313
THR A 317
CYH A 453
 HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-2.3A)
 0.68A 3e4eA-4r1zA:
42.4		 3e4eA-4r1zA:
31.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		3 ALA A 302
THR A 306
CYH A 440
 HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 (-2.2A)
 0.61A 3e4eA-4r20A:
42.0		 3e4eA-4r20A:
35.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 ALA A3209
THR A3212
CYH A2862
 None
 0.76A 3e4eA-4rh7A:
undetectable		 3e4eA-4rh7A:
8.99
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		3 ALA A 239
THR A 243
CYH A 349
 HEM  A 401 (-3.6A)
HEM  A 401 (-3.7A)
HEM  A 401 (-2.3A)
 0.50A 3e4eA-4rm4A:
30.2		 3e4eA-4rm4A:
25.16
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.
4tnm IMPORTIN SUBUNIT
ALPHA

(Arabidopsis
thaliana) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		3 ALA A 438
THR A 400
CYH A 416
 None
 0.78A 3e4eA-4tnmA:
undetectable		 3e4eA-4tnmA:
21.17
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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		3 ALA A 245
THR A 250
CYH A 357
 HEM  A 501 (-3.4A)
HEM  A 501 (-3.9A)
HEM  A 501 (-2.4A)
 0.79A 3e4eA-4tpnA:
28.4		 3e4eA-4tpnA:
24.14
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.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		3 ALA A 241
THR A 245
CYH A 351
 HEM  A 501 ( 3.8A)
HEM  A 501 ( 3.3A)
HEM  A 501 (-2.4A)
 0.66A 3e4eA-4ubsA:
31.6		 3e4eA-4ubsA:
25.51
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		3 ALA A 311
THR A 315
CYH A 449
 HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 (-2.3A)
 0.51A 3e4eA-4uhiA:
32.5		 3e4eA-4uhiA:
25.10
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.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		3 ALA A 243
THR A 247
CYH A 354
 HEM  A1407 (-3.6A)
HEM  A1407 (-3.8A)
HEM  A1407 (-2.1A)
 0.36A 3e4eA-4umzA:
32.1		 3e4eA-4umzA:
23.46
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		3 ALA A 239
THR A 243
CYH A 353
 HEM  A 503 (-3.4A)
HEM  A 503 (-3.9A)
HEM  A 503 (-2.4A)
 0.60A 3e4eA-4wpzA:
30.2		 3e4eA-4wpzA:
25.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xe3 CYTOCHROME P-450

(Streptomyces
antibioticus) 		PF00067
(p450) 		3 ALA A 244
THR A 248
CYH A 356
 HEM  A 501 ( 3.5A)
CL6  A 502 (-3.6A)
HEM  A 501 (-2.2A)
 0.59A 3e4eA-4xe3A:
27.4		 3e4eA-4xe3A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		3 ALA A 236
THR A 240
CYH A 348
 HEM  A 401 (-3.9A)
HEM  A 401 (-4.5A)
HEM  A 401 (-2.4A)
 0.65A 3e4eA-4z5pA:
28.8		 3e4eA-4z5pA:
24.43
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.
5a30 MITOCHONDRIAL
PROTEIN

(Gallus gallus) 		PF03828
(PAP_assoc) 		3 ALA A 204
THR A 314
CYH A 318
 None
 0.78A 3e4eA-5a30A:
undetectable		 3e4eA-5a30A:
21.24
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.
5cwe CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		3 ALA A 233
THR A 237
CYH A 344
 DAO  A 402 (-3.6A)
HEM  A 403 ( 3.6A)
HEM  A 403 (-2.0A)
 0.37A 3e4eA-5cweA:
32.4		 3e4eA-5cweA:
21.75
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.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		3 ALA A 251
THR A 255
CYH A 360
 1PE  A 505 ( 3.4A)
HEM  A 501 (-3.8A)
HEM  A 501 (-2.3A)
 0.50A 3e4eA-5dqnA:
28.5		 3e4eA-5dqnA:
25.25
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		3 ALA A 264
THR A 268
CYH A 400
 HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.2A)
 0.46A 3e4eA-5e78A:
34.0		 3e4eA-5e78A:
26.98
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		3 ALA A 227
THR A 231
CYH A 337
 HEM  A 413 ( 3.7A)
HEM  A 413 (-3.6A)
HEM  A 413 (-2.1A)
 0.42A 3e4eA-5foiA:
32.8		 3e4eA-5foiA:
24.95
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ALA C 252
THR C 208
CYH C 216
 None
 0.74A 3e4eA-5g5gC:
undetectable		 3e4eA-5g5gC:
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		3 ALA A 236
THR A 240
CYH A 347
 HEM  A 501 (-3.6A)
HEM  A 501 (-3.7A)
HEM  A 501 (-2.6A)
 0.53A 3e4eA-5gnmA:
29.8		 3e4eA-5gnmA:
27.17
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.
5gwe CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		3 ALA A 292
THR A 296
CYH A 403
 GWM  A 502 ( 3.6A)
HEM  A 501 (-3.6A)
HEM  A 501 (-2.3A)
 0.48A 3e4eA-5gweA:
31.8		 3e4eA-5gweA:
23.87
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.
5iki CYTOCHROME P450(MEG)

(Bacillus
megaterium) 		PF00067
(p450) 		3 ALA A 243
THR A 247
CYH A 355
 HEM  A 501 (-3.5A)
HEM  A 501 (-3.7A)
HEM  A 501 (-2.2A)
 0.49A 3e4eA-5ikiA:
27.7		 3e4eA-5ikiA:
25.00
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.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		3 ALA A 237
THR A 241
CYH A 348
 HEM  A 401 (-3.5A)
HEM  A 401 (-3.8A)
HEM  A 401 (-2.5A)
 0.58A 3e4eA-5it1A:
30.8		 3e4eA-5it1A:
24.60
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		3 ALA A 242
THR A 246
CYH A 352
 HEM  A 501 (-3.5A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.3A)
 0.67A 3e4eA-5l94A:
32.9		 3e4eA-5l94A:
24.58
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.
5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC

(Mycobacterium
tuberculosis) 		PF14765
(PS-DH) 		3 ALA A 979
THR A 983
CYH A1022
 None
 0.71A 3e4eA-5njiA:
undetectable		 3e4eA-5njiA:
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.
5nws SAACMM

(Streptomyces
antibioticus) 		no annotation 3 ALA A 267
THR A 271
CYH A 382
 HEM  A 504 (-3.4A)
HEM  A 504 (-3.9A)
HEM  A 504 (-2.3A)
 0.51A 3e4eA-5nwsA:
30.1		 3e4eA-5nwsA:
11.06
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.
5ofq CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		3 ALA A 241
THR A 245
CYH A 351
 HEM  A 501 (-3.5A)
HEM  A 501 (-3.7A)
HEM  A 501 (-2.2A)
 0.44A 3e4eA-5ofqA:
30.4		 3e4eA-5ofqA:
25.64
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.
5u6u CYTOCHROME P450

(Rhodopseudomonas
palustris) 		no annotation 3 ALA A 248
THR A 252
CYH A 358
 HEM  A 501 ( 3.3A)
HEM  A 501 (-3.6A)
HEM  A 501 (-2.3A)
 0.48A 3e4eA-5u6uA:
28.6		 3e4eA-5u6uA:
11.09
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.
5udb CELL DIVISION
CONTROL PROTEIN 6

(Saccharomyces
cerevisiae) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		3 ALA 9 443
THR 9 447
CYH 9 419
 None
 0.75A 3e4eA-5udb9:
undetectable		 3e4eA-5udb9:
23.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 3 ALA A 305
THR A 309
CYH A 441
 HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
HEM  A 601 (-2.2A)
 0.70A 3e4eA-5veuA:
37.4		 3e4eA-5veuA:
30.06
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		3 ALA A 230
THR A 234
CYH A 340
 HEM  A 401 (-3.5A)
HEM  A 401 (-3.7A)
HEM  A 401 (-2.3A)
 0.48A 3e4eA-5vwsA:
30.2		 3e4eA-5vwsA:
26.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 3 ALA A 298
THR A 302
CYH A 436
 9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
HEM  A 501 (-2.0A)
 0.39A 3e4eA-5wbgA:
54.8		 3e4eA-5wbgA:
56.79
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.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		3 ALA A 265
THR A 269
CYH A 376
 88L  A 501 ( 3.1A)
HEM  A 502 (-3.5A)
HEM  A 502 (-2.4A)
 0.47A 3e4eA-5xjnA:
31.9		 3e4eA-5xjnA:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 3 ALA A 297
THR A 301
CYH A 435
 LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 (-2.4A)
 0.75A 3e4eA-5xxiA:
50.5		 3e4eA-5xxiA:
58.75
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		3 ALA A 248
THR A 252
CYH A 363
 HEM  A 501 (-3.4A)
HEM  A 501 (-3.9A)
HEM  A 501 (-2.1A)
 0.49A 3e4eA-5y1iA:
31.6		 3e4eA-5y1iA:
25.00
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 3 ALA A 256
THR A 260
CYH A 366
 HEM  A 501 (-3.4A)
HEM  A 501 (-3.7A)
HEM  A 501 (-2.3A)
 0.50A 3e4eA-5ysmA:
31.1		 3e4eA-5ysmA:
11.06
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 3 ALA A 293
THR A 297
CYH A 430
 TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 1.8A)
 0.44A 3e4eA-6ay4A:
32.0		 3e4eA-6ay4A:
28.14
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 3 ALA A 313
THR A 317
CYH A 453
 HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 (-2.3A)
 0.77A 3e4eA-6b82A:
44.2		 3e4eA-6b82A:
10.67
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 3 ALA A 260
THR A 264
CYH A 372
 HEM  A 501 ( 3.6A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.7A)
 0.54A 3e4eA-6bldA:
30.7		 3e4eA-6bldA:
9.66
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 3 ALA A 310
THR A 314
CYH A 448
 HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.7A)
HEM  A 600 (-2.1A)
 0.38A 3e4eA-6c93A:
33.4		 3e4eA-6c93A:
10.26
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.
6gii CYTOCHROME P450

(Tepidiphilus
thermophilus) 		no annotation 3 ALA A 308
THR A 312
CYH A 419
 HEM  A 501 (-3.7A)
HEM  A 501 (-3.7A)
HEM  A 501 (-2.4A)
 0.51A 3e4eA-6giiA:
29.6		 3e4eA-6giiA:
8.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gk6 -

(-) 		no annotation 3 ALA A 243
THR A 247
CYH A 354
 HEM  A 501 ( 3.5A)
HEM  A 501 ( 3.4A)
HEM  A 501 (-2.3A)
 0.39A 3e4eA-6gk6A:
31.1		 3e4eA-6gk6A:
undetectable