SIMILAR PATTERNS OF AMINO ACIDS FOR 1MCL_P_DHIP1

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.
1am2 MXE GYRA INTEIN

(Mycobacterium
xenopi) 		no annotation 4 TYR A 162
GLU A  65
PHE A 194
TYR A 102
 None
 1.26A 1mclA-1am2A:
0.0
1mclB-1am2A:
0.0
1mclP-1am2A:
undetectable		 1mclA-1am2A:
23.89
1mclB-1am2A:
23.89
1mclP-1am2A:
2.60
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 TYR A 426
GLU A 429
PHE A 486
TYR A 421
 None
 1.35A 1mclA-1ufaA:
0.0
1mclB-1ufaA:
0.0
1mclP-1ufaA:
undetectable		 1mclA-1ufaA:
16.12
1mclB-1ufaA:
16.12
1mclP-1ufaA:
0.58
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.
1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT

(Pseudomonas
putida) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 TYR A 437
GLU A 327
PHE A 206
PRO A 435
 None
 1.46A 1mclA-1z01A:
0.0
1mclB-1z01A:
0.0
1mclP-1z01A:
undetectable		 1mclA-1z01A:
15.74
1mclB-1z01A:
15.74
1mclP-1z01A:
1.09
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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		4 TYR A 446
PHE A 391
TYR A 191
PRO A 390
 None
 1.40A 1mclA-1zy9A:
0.0
1mclB-1zy9A:
0.1
1mclP-1zy9A:
undetectable		 1mclA-1zy9A:
15.93
1mclB-1zy9A:
15.93
1mclP-1zy9A:
1.48
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.
2ayu NUCLEOSOME ASSEMBLY
PROTEIN

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 TYR A 221
GLU A 121
TYR A 254
PRO A 227
 None
 1.19A 1mclA-2ayuA:
0.0
1mclB-2ayuA:
0.0
1mclP-2ayuA:
undetectable		 1mclA-2ayuA:
18.78
1mclB-2ayuA:
18.78
1mclP-2ayuA:
8.00
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		4 TYR A 289
GLU A 532
TYR A 306
PRO A 295
 None
 1.33A 1mclA-2f5uA:
0.0
1mclB-2f5uA:
0.0
1mclP-2f5uA:
undetectable		 1mclA-2f5uA:
17.90
1mclB-2f5uA:
17.90
1mclP-2f5uA:
3.45
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		4 TYR A 102
PHE A 152
TYR A  55
PRO A 143
 None
MG  A2018 ( 4.6A)
None
None
 1.40A 1mclA-2gfqA:
0.0
1mclB-2gfqA:
0.0
1mclP-2gfqA:
undetectable		 1mclA-2gfqA:
21.90
1mclB-2gfqA:
21.90
1mclP-2gfqA:
0.89
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.
2qts ACID-SENSING ION
CHANNEL

(Gallus gallus) 		PF00858
(ASC) 		4 TYR A 335
PHE A 153
TYR A 341
PRO A 338
 None
 1.33A 1mclA-2qtsA:
0.0
1mclB-2qtsA:
0.9
1mclP-2qtsA:
undetectable		 1mclA-2qtsA:
17.83
1mclB-2qtsA:
17.83
1mclP-2qtsA:
0.23
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.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		4 TYR A  52
GLU A  73
PHE A  32
PRO A  34
 None
 1.16A 1mclA-2rg2A:
0.0
1mclB-2rg2A:
0.0
1mclP-2rg2A:
undetectable		 1mclA-2rg2A:
20.42
1mclB-2rg2A:
20.42
1mclP-2rg2A:
6.06
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.
3f7x PUTATIVE POLYKETIDE
CYCLASE

(Pseudomonas
putida) 		PF12680
(SnoaL_2) 		4 TYR A 100
GLU A  59
TYR A 122
PRO A 103
 UNL  A 133 ( 4.9A)
UNL  A 133 ( 2.9A)
UNL  A 133 (-3.8A)
EDO  A 140 ( 4.6A)
 1.38A 1mclA-3f7xA:
undetectable
1mclB-3f7xA:
undetectable
1mclP-3f7xA:
undetectable		 1mclA-3f7xA:
18.69
1mclB-3f7xA:
18.69
1mclP-3f7xA:
5.13
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.
3f8h PUTATIVE POLYKETIDE
CYCLASE

(Ruegeria sp.
TM1040) 		PF12680
(SnoaL_2) 		4 TYR A  98
GLU A  57
TYR A 120
PRO A 101
 MRD  A 134 (-4.2A)
MRD  A 134 ( 2.7A)
MRD  A 134 (-3.9A)
None
 1.40A 1mclA-3f8hA:
undetectable
1mclB-3f8hA:
undetectable
1mclP-3f8hA:
undetectable		 1mclA-3f8hA:
19.72
1mclB-3f8hA:
19.72
1mclP-3f8hA:
2.30
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.
3gmw BETA-LACTAMASE
INHIBITORY PROTEIN
BLIP-I

(Streptomyces
exfoliatus) 		PF07467
(BLIP) 		4 TYR B  71
GLU B  70
PHE B  44
TYR B  50
 None
 1.09A 1mclA-3gmwB:
undetectable
1mclB-3gmwB:
undetectable
1mclP-3gmwB:
undetectable		 1mclA-3gmwB:
19.81
1mclB-3gmwB:
19.81
1mclP-3gmwB:
1.98
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.
3i0y PUTATIVE POLYKETIDE
CYCLASE

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		4 TYR A 106
GLU A  65
TYR A 128
PRO A 109
 None
UNL  A 143 (-2.1A)
UNL  A 143 ( 4.2A)
None
 1.37A 1mclA-3i0yA:
undetectable
1mclB-3i0yA:
undetectable
1mclP-3i0yA:
undetectable		 1mclA-3i0yA:
23.33
1mclB-3i0yA:
23.33
1mclP-3i0yA:
4.44
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.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24) 		4 TYR A  30
GLU A 129
PHE A  23
PRO A 126
 None
 1.39A 1mclA-3m7dA:
undetectable
1mclB-3m7dA:
undetectable
1mclP-3m7dA:
undetectable		 1mclA-3m7dA:
18.04
1mclB-3m7dA:
18.04
1mclP-3m7dA:
0.74
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.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		4 TYR A  30
GLU A 129
PHE A  23
PRO A 126
 None
 1.45A 1mclA-3m7gA:
undetectable
1mclB-3m7gA:
undetectable
1mclP-3m7gA:
undetectable		 1mclA-3m7gA:
21.55
1mclB-3m7gA:
21.55
1mclP-3m7gA:
1.28
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 445
GLU A 540
PHE A 372
TYR A 383
 None
 1.46A 1mclA-3rm5A:
undetectable
1mclB-3rm5A:
undetectable
1mclP-3rm5A:
undetectable		 1mclA-3rm5A:
18.18
1mclB-3rm5A:
18.18
1mclP-3rm5A:
0.59
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.
3roh LEUCOTOXIN LUKEV

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 TYR A 269
GLU A 281
PHE A 273
TYR A  96
 None
None
None
PGE  A 312 (-4.2A)
 1.02A 1mclA-3rohA:
1.8
1mclB-3rohA:
2.1
1mclP-3rohA:
undetectable		 1mclA-3rohA:
20.48
1mclB-3rohA:
20.48
1mclP-3rohA:
0.30
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TYR A 375
GLU A 330
TYR A 439
PRO A 563
 None
 1.47A 1mclA-3w5nA:
4.6
1mclB-3w5nA:
undetectable
1mclP-3w5nA:
undetectable		 1mclA-3w5nA:
13.08
1mclB-3w5nA:
13.08
1mclP-3w5nA:
8.00
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.
5du2 ESPG2
GLYCOSYLTRANSFERASE

(Actinomadura
verrucosospora) 		PF00201
(UDPGT) 		4 TYR A  45
GLU A  44
TYR A  59
PRO A  58
 None
 1.22A 1mclA-5du2A:
undetectable
1mclB-5du2A:
undetectable
1mclP-5du2A:
undetectable		 1mclA-5du2A:
18.85
1mclB-5du2A:
18.85
1mclP-5du2A:
0.75
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.
5g4l OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Clostridium sp.) 		PF13561
(adh_short_C2) 		4 TYR A 261
GLU A 224
PHE A 235
PRO A 198
 None
None
None
NDP  A1265 (-4.4A)
 1.31A 1mclA-5g4lA:
undetectable
1mclB-5g4lA:
undetectable
1mclP-5g4lA:
undetectable		 1mclA-5g4lA:
19.16
1mclB-5g4lA:
19.16
1mclP-5g4lA:
0.91
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 TYR A 114
PHE A 128
TYR A 131
PRO A 130
 None
 1.38A 1mclA-5t9gA:
5.2
1mclB-5t9gA:
4.9
1mclP-5t9gA:
undetectable		 1mclA-5t9gA:
14.22
1mclB-5t9gA:
14.22
1mclP-5t9gA:
1.56