SIMILAR PATTERNS OF AMINO ACIDS FOR 6CIF_C_H4BC502

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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 TRP A 306
TRP A 676
PHE A 691
GLU A 694
 None
 0.25A 6cifC-1lzxA:
59.0
6cifD-1lzxA:
59.2		 6cifC-1lzxA:
10.19
6cifD-1lzxA:
10.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  74
TRP A 445
PHE A 460
GLU A 463
 None
MPD  A 603 (-4.6A)
MPD  A 603 (-4.2A)
None
 0.19A 6cifC-1m9qA:
62.1
6cifD-1m9qA:
54.4		 6cifC-1m9qA:
100.00
6cifD-1m9qA:
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.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		4 TRP A  84
TRP A 455
PHE A 470
GLU A 473
 None
 0.29A 6cifC-1qw5A:
56.6
6cifD-1qw5A:
56.9		 6cifC-1qw5A:
12.12
6cifD-1qw5A:
12.12
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.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 VAL A 131
TRP A 155
TRP A 135
GLU A 132
 None
 1.48A 6cifC-1qwkA:
0.0
6cifD-1qwkA:
0.0		 6cifC-1qwkA:
13.51
6cifD-1qwkA:
13.51
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.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 VAL A 131
TRP A 155
TRP A 135
PHE A 138
 None
 1.34A 6cifC-1qwkA:
0.0
6cifD-1qwkA:
0.0		 6cifC-1qwkA:
13.51
6cifD-1qwkA:
13.51
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.
1x1f SIGNAL-TRANSDUCING
ADAPTOR PROTEIN 1

(Homo sapiens) 		PF00169
(PH) 		4 TRP A 104
TRP A  38
PHE A  48
GLU A  40
 None
 1.32A 6cifC-1x1fA:
0.0
6cifD-1x1fA:
0.0		 6cifC-1x1fA:
17.45
6cifD-1x1fA:
17.45
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 6cifC-2d52A:
0.7
6cifD-2d52A:
0.0		 6cifC-2d52A:
12.32
6cifD-2d52A:
12.32
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.
2in5 HYPOTHETICAL
LIPOPROTEIN YMCC

(Escherichia
coli) 		PF11102
(YjbF) 		4 VAL A 154
ARG A  75
TRP A 163
PHE A 167
 None
 1.29A 6cifC-2in5A:
0.0
6cifD-2in5A:
0.0		 6cifC-2in5A:
18.09
6cifD-2in5A:
18.09
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 VAL A  23
ARG A 116
PHE A  29
GLU A  27
 None
 1.22A 6cifC-2incA:
0.0
6cifD-2incA:
0.0		 6cifC-2incA:
8.09
6cifD-2incA:
8.09
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 369
ARG A 320
PHE A 381
GLU A 368
 None
 1.26A 6cifC-2qluA:
undetectable
6cifD-2qluA:
0.0		 6cifC-2qluA:
13.56
6cifD-2qluA:
13.56
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 VAL A 588
TRP A 630
TRP A 635
PHE A 638
 None
 1.15A 6cifC-2rdyA:
undetectable
6cifD-2rdyA:
undetectable		 6cifC-2rdyA:
6.76
6cifD-2rdyA:
6.76
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 VAL A 537
TRP A 526
PHE A 564
GLU A 530
 None
 1.38A 6cifC-3a2fA:
0.0
6cifD-3a2fA:
0.0		 6cifC-3a2fA:
6.60
6cifD-3a2fA:
6.60
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 0.95A 6cifC-3ckbA:
undetectable
6cifD-3ckbA:
undetectable		 6cifC-3ckbA:
11.08
6cifD-3ckbA:
11.08
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.
3d4e PUTATIVE
BETA-LACTAMASE
INHIBITOR PROTEIN

(Streptococcus
mutans) 		PF12978
(DUF3862) 		4 VAL A 151
ARG A  52
TRP A 175
PHE A 127
 None
 1.18A 6cifC-3d4eA:
undetectable
6cifD-3d4eA:
undetectable		 6cifC-3d4eA:
17.39
6cifD-3d4eA:
17.39
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.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 TRP A  90
TRP A 461
PHE A 476
GLU A 479
 None
 0.20A 6cifC-3e7gA:
55.1
6cifD-3e7gA:
55.6		 6cifC-3e7gA:
11.57
6cifD-3e7gA:
11.57
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.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		4 VAL A 241
TRP A 256
PHE A 233
GLU A 254
 None
 0.97A 6cifC-3k25A:
undetectable
6cifD-3k25A:
undetectable		 6cifC-3k25A:
17.86
6cifD-3k25A:
17.86
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 370
ARG A 321
PHE A 382
GLU A 369
 None
 1.36A 6cifC-3q4tA:
undetectable
6cifD-3q4tA:
0.0		 6cifC-3q4tA:
10.29
6cifD-3q4tA:
10.29
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 VAL A 160
TRP A 164
TRP A 244
GLU A 243
 None
 1.32A 6cifC-4fcsA:
undetectable
6cifD-4fcsA:
undetectable		 6cifC-4fcsA:
14.92
6cifD-4fcsA:
14.92
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.12A 6cifC-4u3vA:
0.0
6cifD-4u3vA:
undetectable		 6cifC-4u3vA:
13.10
6cifD-4u3vA:
13.10
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 ARG A 644
TRP A 185
PHE A 640
GLU A 186
 None
None
None
CA  A 801 (-2.3A)
 1.26A 6cifC-5bv9A:
undetectable
6cifD-5bv9A:
undetectable		 6cifC-5bv9A:
8.31
6cifD-5bv9A:
8.31
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 VAL A 409
TRP A 407
PHE A 404
GLU A 410
 None
 1.31A 6cifC-5cowA:
undetectable
6cifD-5cowA:
undetectable		 6cifC-5cowA:
13.25
6cifD-5cowA:
13.25
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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 VAL A  36
TRP A 288
PHE A  13
GLU A  33
 None
 1.42A 6cifC-5ft6A:
0.6
6cifD-5ft6A:
undetectable		 6cifC-5ft6A:
12.37
6cifD-5ft6A:
12.37
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 VAL A 324
TRP A 326
PHE A 359
GLU A 325
 None
 1.44A 6cifC-5gn5A:
undetectable
6cifD-5gn5A:
undetectable		 6cifC-5gn5A:
11.27
6cifD-5gn5A:
11.27
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.
5k1h EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Homo sapiens) 		PF00076
(RRM_1)
PF08662
(eIF2A) 		4 VAL B 570
TRP B 607
TRP B 562
GLU B 561
 None
 1.34A 6cifC-5k1hB:
undetectable
6cifD-5k1hB:
undetectable		 6cifC-5k1hB:
8.87
6cifD-5k1hB:
8.87
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.
5lsk KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG
CENTROMERE PROTEIN C

(Homo sapiens;
Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 VAL N 120
ARG P  16
PHE N 115
GLU N 117
 None
 1.12A 6cifC-5lskN:
undetectable
6cifD-5lskN:
undetectable		 6cifC-5lskN:
16.49
6cifD-5lskN:
16.49
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.49A 6cifC-5no8A:
0.0
6cifD-5no8A:
undetectable		 6cifC-5no8A:
8.38
6cifD-5no8A:
8.38
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.
6az1 RIBOSOMAL PROTEIN S7
RIBOSOMAL PROTEIN
S28E

(Leishmania
donovani;
Leishmania
donovani) 		no annotation
no annotation 		4 VAL d  29
ARG H  46
PHE H  47
GLU d  69
 None
G  12036 ( 3.6A)
None
None
 1.16A 6cifC-6az1d:
undetectable
6cifD-6az1d:
undetectable		 6cifC-6az1d:
17.86
6cifD-6az1d:
17.86