SIMILAR PATTERNS OF AMINO ACIDS FOR 6AY6_A_VORA501_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.
1jov HI1317

(Haemophilus
influenzae)
PF01263
(Aldose_epim)
5 ALA A  40
THR A 151
LEU A  55
CYH A 133
LEU A  57
None
1.48A 6ay6A-1jovA:
undetectable
6ay6A-1jovA:
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.
1ngr P75 LOW AFFINITY
NEUROTROPHIN
RECEPTOR


(Rattus
norvegicus)
PF00531
(Death)
5 TYR A 366
ALA A 402
ALA A 398
THR A 395
LEU A 385
None
1.46A 6ay6A-1ngrA:
undetectable
6ay6A-1ngrA:
12.11
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)
6 TYR A  76
PHE A  83
ALA A 256
THR A 260
LEU A 321
CYH A 394
ESL  A 471 ( 3.8A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
HEM  A 470 (-2.4A)
0.94A 6ay6A-1x8vA:
41.4
6ay6A-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.
1yii ANNEXIN A5

(Gallus gallus)
PF00191
(Annexin)
5 ALA A  23
ALA A  27
THR A  33
LEU A  73
LEU A  39
None
None
CA  A 401 ( 4.8A)
None
None
1.42A 6ay6A-1yiiA:
undetectable
6ay6A-1yiiA:
24.42
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.
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
1.29A 6ay6A-2afbA:
undetectable
6ay6A-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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi)
PF02156
(Glyco_hydro_26)
5 TYR A 197
TYR A 193
ALA A 177
THR A 281
LEU A 243
None
1.41A 6ay6A-2bvtA:
undetectable
6ay6A-2bvtA:
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.
2qa1 POLYKETIDE OXYGENASE
PGAE


(Streptomyces
sp. PGA64)
PF01494
(FAD_binding_3)
5 ALA A 467
ALA A 469
THR A 455
LEU A 452
LEU A 417
None
1.39A 6ay6A-2qa1A:
undetectable
6ay6A-2qa1A:
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans)
PF14498
(Glyco_hyd_65N_2)
5 ALA A 686
ALA A 688
THR A 384
LEU A 720
LEU A 694
None
1.41A 6ay6A-2rdyA:
undetectable
6ay6A-2rdyA:
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.
2wda PUTATIVE SECRETED
LYASE


(Streptomyces
violaceoruber)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
5 TYR A  91
ALA A 173
ALA A 169
LEU A 162
LEU A 208
None
1.27A 6ay6A-2wdaA:
undetectable
6ay6A-2wdaA:
18.80
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.
3ec2 DNA REPLICATION
PROTEIN DNAC


(Aquifex
aeolicus)
PF01695
(IstB_IS21)
5 TYR A  53
ALA A  98
ALA A  96
THR A 180
LEU A 218
ADP  A 222 (-3.4A)
None
None
None
None
1.36A 6ay6A-3ec2A:
undetectable
6ay6A-3ec2A:
19.00
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
ALA A 287
ALA A 291
LEU A 356
CYH A 422
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
None
HEM  A 488 (-2.2A)
0.96A 6ay6A-3kswA:
32.5
6ay6A-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)
6 TYR A 103
PHE A 110
ALA A 287
ALA A 291
THR A 295
CYH A 422
None
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
HEM  A 488 (-2.2A)
0.82A 6ay6A-3kswA:
32.5
6ay6A-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)
8 TYR A 102
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
CYH A 422
HEM  A 481 (-4.7A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-2.2A)
0.79A 6ay6A-3l4dA:
46.6
6ay6A-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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS


(Cryptosporidium
parvum)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
5 PHE A 505
THR A 437
LEU A 445
CYH A 513
LEU A 362
None
1.45A 6ay6A-3lijA:
undetectable
6ay6A-3lijA:
24.77
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.
3lmb UNCHARACTERIZED
PROTEIN


(Oleispira
antarctica)
PF09500
(YiiD_C)
5 PHE A 118
ALA A 128
ALA A 160
THR A  89
LEU A 132
None
1.43A 6ay6A-3lmbA:
undetectable
6ay6A-3lmbA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvn PLEXIN-C1

(Homo sapiens)
PF01437
(PSI)
5 TYR B 248
ALA B 163
ALA B 181
LEU B 225
LEU B 223
None
1.18A 6ay6A-3nvnB:
undetectable
6ay6A-3nvnB:
20.52
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.
3o4o INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN


(Homo sapiens)
PF13927
(Ig_3)
5 TYR B 101
ALA B  44
ALA B  41
LEU B  29
LEU B  48
NAG  B 340 (-4.0A)
None
None
None
None
1.10A 6ay6A-3o4oB:
undetectable
6ay6A-3o4oB:
18.99
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.
3p0u NUCLEAR RECEPTOR
SUBFAMILY 2 GROUP C
MEMBER 2


(Homo sapiens)
PF00104
(Hormone_recep)
5 ALA A 502
ALA A 451
THR A 447
LEU A 569
LEU A 514
None
1.36A 6ay6A-3p0uA:
undetectable
6ay6A-3p0uA:
20.48
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.
3vyw MNMC2

(Aquifex
aeolicus)
PF05430
(Methyltransf_30)
5 TYR A  14
PHE A  34
TYR A  10
ALA A  38
LEU A 301
None
1.32A 6ay6A-3vywA:
undetectable
6ay6A-3vywA:
21.67
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus)
PF00141
(peroxidase)
5 TYR A 154
ALA A 109
ALA A 149
LEU A 146
LEU A 135
None
1.14A 6ay6A-3wxoA:
undetectable
6ay6A-3wxoA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c60 OCHRATOXINASE

(Aspergillus
niger)
PF01979
(Amidohydro_1)
5 TYR A 363
ALA A 403
ALA A 406
LEU A 325
CYH A 110
None
1.38A 6ay6A-4c60A:
undetectable
6ay6A-4c60A:
20.28
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 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
CYH A 422
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
HEM  A 501 (-2.3A)
1.18A 6ay6A-4g3jA:
46.4
6ay6A-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)
0.73A 6ay6A-4g3jA:
46.4
6ay6A-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)
0.99A 6ay6A-4g3jA:
46.4
6ay6A-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.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4


(Saccharopolyspora
spinosa)
PF08659
(KR)
5 ALA A 428
ALA A 424
THR A 376
LEU A 373
LEU A 167
None
1.15A 6ay6A-4impA:
undetectable
6ay6A-4impA:
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.
4l4x AMPHI

(Streptomyces
nodosus)
PF08659
(KR)
5 ALA A 143
ALA A  89
LEU A 111
CYH A 117
LEU A  86
None
1.35A 6ay6A-4l4xA:
undetectable
6ay6A-4l4xA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mxw LYMPHOTOXIN-BETA

(Homo sapiens)
no annotation 5 TYR Y 136
ALA Y  89
THR Y 117
LEU Y 125
LEU Y 213
None
0.93A 6ay6A-4mxwY:
undetectable
6ay6A-4mxwY:
17.38
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)
0.71A 6ay6A-4uhiA:
48.2
6ay6A-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)
0.81A 6ay6A-4uymA:
43.9
6ay6A-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.
4xkz VALINE-TRNA LIGASE

(Pseudomonas
aeruginosa)
PF08264
(Anticodon_1)
5 TYR A 713
TYR A 709
ALA A 646
THR A 658
LEU A 721
None
1.39A 6ay6A-4xkzA:
undetectable
6ay6A-4xkzA:
19.57
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.
5cu1 DMSP LYASE

(Ruegeria
pomeroyi)
PF16867
(DMSP_lyase)
5 TYR A  98
ALA A  71
ALA A  68
LEU A 139
LEU A  57
None
1.41A 6ay6A-5cu1A:
undetectable
6ay6A-5cu1A:
18.57
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae)
PF00463
(ICL)
5 ALA A 251
ALA A 401
LEU A  68
CYH A 462
LEU A 247
None
1.43A 6ay6A-5e9gA:
undetectable
6ay6A-5e9gA:
22.63
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)
6 TYR A 118
PHE A 126
TYR A 132
THR A 311
LEU A 376
CYH A 470
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
HEM  A 580 (-4.1A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
HEM  A 580 (-2.2A)
0.73A 6ay6A-5fsaA:
43.5
6ay6A-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
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)
0.49A 6ay6A-5hs1A:
42.6
6ay6A-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)
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)
0.50A 6ay6A-5jlcA:
42.2
6ay6A-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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT ALPHA


(Methylobacillus
flagellatus)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 TYR A  59
ALA A  14
ALA A  30
LEU A  68
LEU A  77
None
1.18A 6ay6A-5ks8A:
undetectable
6ay6A-5ks8A:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER


(Proteus
mirabilis)
no annotation 5 TYR A 169
ALA A 338
ALA A 340
THR A 140
LEU A 161
None
1.49A 6ay6A-5nvaA:
undetectable
6ay6A-5nvaA:
10.24
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.
6all FE(3+)-CITRATE-BINDI
NG PROTEIN YFMC


(Bacillus
anthracis)
PF01497
(Peripla_BP_2)
5 TYR A 294
ALA A 202
ALA A 200
THR A 234
LEU A 231
None
1.35A 6ay6A-6allA:
undetectable
6ay6A-6allA:
22.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE


(Naegleria
fowleri)
no annotation 8 TYR A 107
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
CYH A 430
LEU A 467
TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
HEM  A 501 ( 1.8A)
EDO  A 503 (-4.2A)
0.50A 6ay6A-6ay4A:
63.1
6ay6A-6ay4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE


(Naegleria
fowleri)
no annotation 8 TYR A 107
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
CYH A 430
TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
HEM  A 501 ( 1.8A)
0.51A 6ay6A-6ay4A:
63.1
6ay6A-6ay4A:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus)
no annotation 5 TYR A 110
ALA A 310
THR A 314
CYH A 448
LEU A 485
HEM  A 600 (-4.4A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.7A)
HEM  A 600 (-2.1A)
OCT  A 601 ( 4.9A)
0.86A 6ay6A-6c93A:
36.6
6ay6A-6c93A:
11.18
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.
6cf8 LYTIC
TRANSGLYCOSYLASE


(Campylobacter
jejuni)
no annotation 5 TYR A 369
PHE A 393
ALA A 387
ALA A 385
LEU A 516
None
1.42A 6ay6A-6cf8A:
undetectable
6ay6A-6cf8A:
12.65