SIMILAR PATTERNS OF AMINO ACIDS FOR 6CIE_A_H4BA502_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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.37A 6cieA-1l5jA:
0.0
6cieB-1l5jA:
0.0		 6cieA-1l5jA:
7.08
6cieB-1l5jA:
7.08
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 VAL A 200
ARG A 160
TRP A  27
PHE A 154
 None
None
SO4  A 400 (-3.4A)
SO4  A 400 (-4.6A)
 1.34A 6cieA-1nrkA:
0.0
6cieB-1nrkA:
0.0		 6cieA-1nrkA:
12.79
6cieB-1nrkA:
12.79
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.
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
 1.42A 6cieA-2d52A:
0.3
6cieB-2d52A:
0.9		 6cieA-2d52A:
12.32
6cieB-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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 VAL A  27
TRP A  15
PHE A 123
GLU A  30
 None
 1.35A 6cieA-2d9jA:
0.0
6cieB-2d9jA:
0.0		 6cieA-2d9jA:
18.31
6cieB-2d9jA:
18.31
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ARG A 123
TRP A  37
PHE A 221
GLU A 218
 None
 1.39A 6cieA-2e9fA:
0.0
6cieB-2e9fA:
0.0		 6cieA-2e9fA:
11.49
6cieB-2e9fA:
11.49
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.
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
 1.17A 6cieA-2incA:
0.0
6cieB-2incA:
0.0		 6cieA-2incA:
8.09
6cieB-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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.41A 6cieA-2rttA:
0.0
6cieB-2rttA:
0.0		 6cieA-2rttA:
22.61
6cieB-2rttA:
22.61
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
 1.01A 6cieA-3ckbA:
0.0
6cieB-3ckbA:
0.0		 6cieA-3ckbA:
11.08
6cieB-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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A4019
TRP A4065
PHE A4109
GLU A4033
 None
 1.33A 6cieA-3g1nA:
0.0
6cieB-3g1nA:
0.0		 6cieA-3g1nA:
10.57
6cieB-3g1nA:
10.57
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.34A 6cieA-3lccA:
undetectable
6cieB-3lccA:
undetectable		 6cieA-3lccA:
17.06
6cieB-3lccA:
17.06
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 VAL A  72
TRP A  71
PHE A  67
GLU A  73
 None
PVG  A 201 (-3.6A)
None
None
 1.10A 6cieA-3vv4A:
undetectable
6cieB-3vv4A:
undetectable		 6cieA-3vv4A:
15.14
6cieB-3vv4A:
15.14
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.21A 6cieA-4o6xA:
undetectable
6cieB-4o6xA:
undetectable		 6cieA-4o6xA:
16.24
6cieB-4o6xA:
16.24
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 1.09A 6cieA-4u3vA:
0.0
6cieB-4u3vA:
undetectable		 6cieA-4u3vA:
13.10
6cieB-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)
 1.27A 6cieA-5bv9A:
0.0
6cieB-5bv9A:
undetectable		 6cieA-5bv9A:
8.31
6cieB-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
 1.34A 6cieA-5cowA:
0.0
6cieB-5cowA:
undetectable		 6cieA-5cowA:
13.25
6cieB-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
 1.47A 6cieA-5ft6A:
undetectable
6cieB-5ft6A:
undetectable		 6cieA-5ft6A:
12.37
6cieB-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
 1.43A 6cieA-5gn5A:
undetectable
6cieB-5gn5A:
0.0		 6cieA-5gn5A:
11.27
6cieB-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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.15A 6cieA-5jseA:
undetectable
6cieB-5jseA:
undetectable		 6cieA-5jseA:
7.63
6cieB-5jseA:
7.63
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.27A 6cieA-5lp8B:
undetectable
6cieB-5lp8B:
undetectable		 6cieA-5lp8B:
10.22
6cieB-5lp8B:
10.22
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
 1.09A 6cieA-5lskN:
undetectable
6cieB-5lskN:
undetectable		 6cieA-5lskN:
16.49
6cieB-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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.46A 6cieA-5m7rA:
0.0
6cieB-5m7rA:
0.0		 6cieA-5m7rA:
6.45
6cieB-5m7rA:
6.45
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 VAL A 538
ARG A 205
TRP A 599
PHE A 606
 None
 1.42A 6cieA-5no8A:
0.0
6cieB-5no8A:
undetectable		 6cieA-5no8A:
8.38
6cieB-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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.02A 6cieA-5vyoA:
undetectable
6cieB-5vyoA:
0.0		 6cieA-5vyoA:
22.22
6cieB-5vyoA:
22.22
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis;
Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 VAL c  16
ARG F  49
PHE F  50
GLU c  51
 None
C  21421 ( 4.4A)
None
None
 0.98A 6cieA-5xyic:
undetectable
6cieB-5xyic:
undetectable		 6cieA-5xyic:
22.47
6cieB-5xyic:
22.47