SIMILAR PATTERNS OF AMINO ACIDS FOR 1I6V_C_RFPC1640

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.
1zsq MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 ARG A 459
HIS A 458
ARG A 463
SER A 477
ILE A 356
 PIB  A3632 ( 4.8A)
EDO  A1878 (-3.9A)
PIB  A3632 ( 3.8A)
None
PIB  A3632 (-3.9A)
 1.30A 1i6vC-1zsqA:
0.2		 1i6vC-1zsqA:
18.56
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		5 GLN A 463
LEU A 466
ARG A 397
GLU A 428
ILE A 401
 None
 1.46A 1i6vC-2putA:
0.0		 1i6vC-2putA:
15.47
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 226
PHE B 253
ASP B 235
ARG B 228
ILE B 262
 None
 1.28A 1i6vC-3hkzB:
16.6		 1i6vC-3hkzB:
29.47
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.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 236
ASP A 258
HIS A 261
GLU A  31
ILE A  34
 None
 1.24A 1i6vC-3rr1A:
0.0		 1i6vC-3rr1A:
17.89
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.
3sk1 EHPR

(Pantoea
agglomerans) 		PF00903
(Glyoxalase) 		5 ASP A 119
HIS A 121
ARG A  69
GLU A  66
ILE A  67
 None
 1.38A 1i6vC-3sk1A:
0.7		 1i6vC-3sk1A:
7.52
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 GLN A 287
LEU A 314
SER A 280
GLU A 250
ILE A 251
 None
 1.36A 1i6vC-3va8A:
0.0		 1i6vC-3va8A:
17.35
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLN A 145
LEU A 248
ASP A 202
ARG A 231
ILE A 205
 None
 1.21A 1i6vC-3vteA:
undetectable		 1i6vC-3vteA:
18.70
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.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 LEU A 159
PHE A 110
ASP A 106
GLU A  75
ILE A  74
 None
 1.27A 1i6vC-4dalA:
0.0		 1i6vC-4dalA:
18.66
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.
4jmu GAG-POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00540
(Gag_p17) 		5 LEU A  68
GLN A  65
ARG A  58
GLU A 107
ILE A 104
 None
 1.43A 1i6vC-4jmuA:
undetectable		 1i6vC-4jmuA:
9.04
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.
4nv7 ARYLAMINE
N-ACETYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF00797
(Acetyltransf_2) 		5 PHE A 163
ASP A 180
ARG A 110
ARG A  97
ILE A 107
 None
 1.49A 1i6vC-4nv7A:
0.0		 1i6vC-4nv7A:
14.41
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.
4xh9 NEUROEPITHELIAL
CELL-TRANSFORMING
GENE 1 PROTEIN

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 ARG A 292
LEU A 290
ASP A 202
ARG A 197
ILE A 218
 None
 1.44A 1i6vC-4xh9A:
undetectable		 1i6vC-4xh9A:
14.90
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLN A 614
LEU A 613
ASP A 588
GLU A 509
ILE A 512
 None
 1.46A 1i6vC-4yffA:
undetectable		 1i6vC-4yffA:
14.54
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.
4zu4 WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF05523
(FdtA) 		5 GLN A 228
LEU A 261
ASP A 198
HIS A 178
ILE A 231
 4TG  A 401 (-3.2A)
None
None
None
None
 1.05A 1i6vC-4zu4A:
undetectable		 1i6vC-4zu4A:
8.36
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.
4zys EXOTOXIN 6

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 ARG A 165
LEU A 103
ASP A  99
SER A 115
ILE A  80
 None
 1.46A 1i6vC-4zysA:
undetectable		 1i6vC-4zysA:
11.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		10 ARG C 164
GLN C 426
LEU C 427
GLN C 429
ASP C 432
ARG C 604
HIS C 442
ARG C 445
SER C 447
ILE C 488
 None
 1.04A 1i6vC-5tw1C:
37.2		 1i6vC-5tw1C:
50.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		7 GLN C 429
PHE C 430
ARG C 604
HIS C 442
ARG C 445
SER C 447
ILE C 488
 None
 1.35A 1i6vC-5tw1C:
37.2		 1i6vC-5tw1C:
50.42
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.
6el1 YAXB

(Yersinia
enterocolitica) 		no annotation 5 GLN O  34
LEU O  48
SER O  51
GLU O 290
ILE O  29
 None
 1.37A 1i6vC-6el1O:
undetectable		 1i6vC-6el1O:
5.85