SIMILAR PATTERNS OF AMINO ACIDS FOR 3N5S_B_H4BB600_1

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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.38A 3n5sA-1kexA:
0.0
3n5sB-1kexA:
0.0		 3n5sA-1kexA:
15.02
3n5sB-1kexA:
15.02
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.31A 3n5sA-1l5jA:
0.0
3n5sB-1l5jA:
0.0		 3n5sA-1l5jA:
20.09
3n5sB-1l5jA:
20.09
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 PHE A 154
VAL A 200
ARG A 160
TRP A  27
 SO4  A 400 (-4.6A)
None
None
SO4  A 400 (-3.4A)
 1.31A 3n5sA-1nrkA:
0.0
3n5sB-1nrkA:
0.0		 3n5sA-1nrkA:
21.41
3n5sB-1nrkA:
21.41
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A 485
GLU A 405
VAL A 397
TRP A 441
 None
 1.48A 3n5sA-1zvdA:
0.0
3n5sB-1zvdA:
0.0		 3n5sA-1zvdA:
22.11
3n5sB-1zvdA:
22.11
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 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 3n5sA-2d52A:
0.7
3n5sB-2d52A:
0.8		 3n5sA-2d52A:
21.85
3n5sB-2d52A:
21.85
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 PHE A 123
GLU A  30
VAL A  27
TRP A  15
 None
 1.40A 3n5sA-2d9jA:
0.0
3n5sB-2d9jA:
0.0		 3n5sA-2d9jA:
17.60
3n5sB-2d9jA:
17.60
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 PHE A 267
GLU A 352
VAL A 344
ARG A 210
 None
 1.39A 3n5sA-2fuqA:
0.0
3n5sB-2fuqA:
0.0		 3n5sA-2fuqA:
19.50
3n5sB-2fuqA:
19.50
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 PHE A  29
GLU A  27
VAL A  23
ARG A 116
 None
 1.25A 3n5sA-2incA:
0.0
3n5sB-2incA:
0.0		 3n5sA-2incA:
20.73
3n5sB-2incA:
20.73
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.45A 3n5sA-2qqoA:
0.5
3n5sB-2qqoA:
0.8		 3n5sA-2qqoA:
23.53
3n5sB-2qqoA:
23.53
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 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.42A 3n5sA-2rttA:
undetectable
3n5sB-2rttA:
undetectable		 3n5sA-2rttA:
15.21
3n5sB-2rttA:
15.21
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 TRP A 840
PHE A 816
GLU A 826
VAL A 811
 None
 1.47A 3n5sA-2xqxA:
undetectable
3n5sB-2xqxA:
undetectable		 3n5sA-2xqxA:
15.12
3n5sB-2xqxA:
15.12
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.04A 3n5sA-3ckbA:
3.0
3n5sB-3ckbA:
3.0		 3n5sA-3ckbA:
21.88
3n5sB-3ckbA:
21.88
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.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		4 PHE A  93
GLU A  69
VAL A  89
ARG A 109
 None
 1.45A 3n5sA-3k77A:
undetectable
3n5sB-3k77A:
undetectable		 3n5sA-3k77A:
15.32
3n5sB-3k77A:
15.32
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 PHE A 133
GLU A 122
VAL A 120
ARG A  69
 None
 1.28A 3n5sA-3lccA:
undetectable
3n5sB-3lccA:
undetectable		 3n5sA-3lccA:
18.00
3n5sB-3lccA:
18.00
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.05A 3n5sA-3vv4A:
1.7
3n5sB-3vv4A:
1.7		 3n5sA-3vv4A:
19.91
3n5sB-3vv4A:
19.91
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.
4j8c HSC70-INTERACTING
PROTEIN

(Rattus
norvegicus) 		no annotation 4 PHE A  30
GLU A  36
VAL A  35
TRP A  34
 None
 1.48A 3n5sA-4j8cA:
undetectable
3n5sB-4j8cA:
undetectable		 3n5sA-4j8cA:
8.43
3n5sB-4j8cA:
8.43
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 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.10A 3n5sA-4o6xA:
2.0
3n5sB-4o6xA:
undetectable		 3n5sA-4o6xA:
13.51
3n5sB-4o6xA:
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.44A 3n5sA-4qbuA:
undetectable
3n5sB-4qbuA:
0.8		 3n5sA-4qbuA:
21.38
3n5sB-4qbuA:
21.38
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 TRP A 613
PHE A  89
GLU A 406
ARG A 424
 None
 1.46A 3n5sA-4rasA:
undetectable
3n5sB-4rasA:
0.6		 3n5sA-4rasA:
20.63
3n5sB-4rasA:
20.63
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.05A 3n5sA-4u3vA:
undetectable
3n5sB-4u3vA:
undetectable		 3n5sA-4u3vA:
19.43
3n5sB-4u3vA:
19.43
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 TRP A 407
PHE A 404
GLU A 410
VAL A 409
 None
 1.33A 3n5sA-5cowA:
1.7
3n5sB-5cowA:
1.7		 3n5sA-5cowA:
20.85
3n5sB-5cowA:
20.85
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 TRP A 288
PHE A  13
GLU A  33
VAL A  36
 None
 1.49A 3n5sA-5ft6A:
undetectable
3n5sB-5ft6A:
undetectable		 3n5sA-5ft6A:
21.57
3n5sB-5ft6A:
21.57
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TRP A 326
PHE A 359
GLU A 325
VAL A 324
 None
 1.50A 3n5sA-5gn5A:
undetectable
3n5sB-5gn5A:
undetectable		 3n5sA-5gn5A:
22.69
3n5sB-5gn5A:
22.69
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 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.07A 3n5sA-5jseA:
undetectable
3n5sB-5jseA:
undetectable		 3n5sA-5jseA:
19.58
3n5sB-5jseA:
19.58
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 None
 1.23A 3n5sA-5lp8B:
undetectable
3n5sB-5lp8B:
undetectable		 3n5sA-5lp8B:
21.27
3n5sB-5lp8B:
21.27
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		4 PHE A 180
GLU A 178
ARG A 132
TRP A 177
 None
ZN  A 303 ( 2.0A)
None
None
 1.48A 3n5sA-5m0tA:
0.5
3n5sB-5m0tA:
undetectable		 3n5sA-5m0tA:
22.10
3n5sB-5m0tA:
22.10
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.11A 3n5sA-5m8tA:
0.5
3n5sB-5m8tA:
0.5		 3n5sA-5m8tA:
21.55
3n5sB-5m8tA:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TRP A 599
PHE A 606
VAL A 538
ARG A 205
 None
 1.47A 3n5sA-5no8A:
1.4
3n5sB-5no8A:
1.9		 3n5sA-5no8A:
21.65
3n5sB-5no8A:
21.65
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 PHE A  49
GLU A  54
VAL A  57
TRP A  56
 None
 1.05A 3n5sA-5vyoA:
undetectable
3n5sB-5vyoA:
undetectable		 3n5sA-5vyoA:
10.31
3n5sB-5vyoA:
10.31
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 PHE F  50
GLU c  51
VAL c  16
ARG F  49
 None
None
None
C  21421 ( 4.4A)
 1.00A 3n5sA-5xyiF:
undetectable
3n5sB-5xyiF:
undetectable		 3n5sA-5xyiF:
18.04
3n5sB-5xyiF:
18.04