SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q6U_A_BEZA501_0

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) 		4 HIS A 367
ARG A 309
GLU A 306
TRP A 310
 None
 1.34A 2q6uA-1cptA:
0.0		 2q6uA-1cptA:
22.66
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 ARG A 171
GLU A  38
PHE A 173
TYR A  36
 None
 1.49A 2q6uA-1kb0A:
0.0		 2q6uA-1kb0A:
20.84
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 546
GLU A 544
PHE A 249
TRP A 579
 None
 1.34A 2q6uA-2h88A:
11.5		 2q6uA-2h88A:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		7 HIS A  51
ARG A  53
GLU A 101
PHE A 242
TYR A 258
TRP A 355
LYS A 358
 BEZ  A 501 ( 4.5A)
BEZ  A 501 ( 4.1A)
BEZ  A 501 ( 2.6A)
BEZ  A 501 ( 4.5A)
BEZ  A 501 ( 3.8A)
BEZ  A 501 ( 3.5A)
BEZ  A 501 ( 2.6A)
 0.01A 2q6uA-2q6uA:
71.1		 2q6uA-2q6uA:
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.
3knv TNF
RECEPTOR-ASSOCIATED
FACTOR 2

(Homo sapiens) 		PF00097
(zf-C3HC4) 		4 ARG A  43
GLU A 122
PHE A  19
TYR A 121
 None
 1.46A 2q6uA-3knvA:
undetectable		 2q6uA-3knvA:
16.96
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 HIS A 369
ARG A 311
GLU A 308
TRP A 312
 None
 1.36A 2q6uA-3tktA:
0.0		 2q6uA-3tktA:
20.79
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 570
GLU A 568
PHE A 272
TRP A 603
 None
 1.31A 2q6uA-3vrbA:
13.6		 2q6uA-3vrbA:
21.19
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.
3zcb ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE VBHT

(Bartonella
schoenbuchensis) 		PF02661
(Fic) 		4 HIS A 112
ARG A 114
GLU A 156
PHE A  55
 None
 1.49A 2q6uA-3zcbA:
0.0		 2q6uA-3zcbA:
16.29
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.
4d51 CYMA

(Klebsiella
oxytoca) 		PF16941
(CymA) 		4 ARG A 240
GLU A 224
TYR A 197
LYS A   8
 None
 1.37A 2q6uA-4d51A:
0.0		 2q6uA-4d51A:
20.24
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.
4fch OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 ARG A 326
GLU A 339
TYR A 202
TRP A 336
 GLC  A 405 ( 2.7A)
None
EDO  A 413 ( 4.5A)
GLC  A 406 ( 3.7A)
 1.28A 2q6uA-4fchA:
0.0		 2q6uA-4fchA:
21.02
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.
4fem OUTER MEMBRANE
PROTEIN SUSE

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE) 		4 ARG A 326
GLU A 339
TYR A 202
TRP A 336
 None
 1.38A 2q6uA-4femA:
undetectable		 2q6uA-4femA:
21.31
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.
4gkf CRISPR SYSTEM CMR
SUBUNIT CMR5

(Pyrococcus
furiosus) 		PF09701
(Cas_Cmr5) 		4 HIS A 110
PHE A  93
TYR A 113
TRP A 114
 None
 1.37A 2q6uA-4gkfA:
undetectable		 2q6uA-4gkfA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00069
(Pkinase) 		4 HIS A 103
GLU A  63
PHE A  65
TYR A  39
 None
 1.43A 2q6uA-4j7bA:
undetectable		 2q6uA-4j7bA:
20.40
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.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		4 ARG A  60
GLU A 159
PHE A 101
TYR A 277
 None
 1.46A 2q6uA-4m29A:
undetectable		 2q6uA-4m29A:
21.55
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.
4m75 U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM1
U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01423
(LSM)
PF01423
(LSM) 		4 ARG A  99
GLU A  84
PHE G  78
TRP A 136
 None
 1.36A 2q6uA-4m75A:
undetectable		 2q6uA-4m75A:
15.70
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.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 4 HIS B 257
ARG B 255
TYR B 196
LYS B 259
 None
 1.36A 2q6uA-4oouB:
0.0		 2q6uA-4oouB:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
E'
DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
F

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N)
PF03874
(RNA_pol_Rpb4) 		4 HIS F  47
ARG E 100
GLU E  88
PHE F  51
 None
 1.20A 2q6uA-4qiwF:
undetectable		 2q6uA-4qiwF:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 HIS A 450
ARG A 448
GLU A 456
TYR A 379
 None
None
None
B12  A 803 (-4.3A)
 1.34A 2q6uA-4rasA:
undetectable		 2q6uA-4rasA:
22.13
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.
5bvr ALPHA-ACTININ-LIKE
PROTEIN 1

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		4 HIS A 166
ARG A 167
PHE A 229
TYR A 225
 ZN  A 301 (-3.0A)
None
None
None
 1.41A 2q6uA-5bvrA:
undetectable		 2q6uA-5bvrA:
20.26
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ARG A 122
GLU A  66
PHE A 118
TRP A  67
 None
 1.47A 2q6uA-5kxiA:
undetectable		 2q6uA-5kxiA:
20.59