SIMILAR PATTERNS OF AMINO ACIDS FOR 3N5P_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
 1.47A 3n5pA-1kexA:
0.0
3n5pB-1kexA:
0.0		 3n5pA-1kexA:
15.02
3n5pB-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.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 TRP A 135
PHE A 138
GLU A 132
VAL A 131
 None
 1.46A 3n5pA-1qwkA:
0.0
3n5pB-1qwkA:
0.0		 3n5pA-1qwkA:
22.27
3n5pB-1qwkA:
22.27
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.
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
 1.35A 3n5pA-2d52A:
0.8
3n5pB-2d52A:
0.9		 3n5pA-2d52A:
21.85
3n5pB-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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 PHE A  99
GLU A 101
ARG A 202
TRP A  93
 None
None
GUN  A 503 (-3.7A)
None
 1.30A 3n5pA-2i9uA:
0.0
3n5pB-2i9uA:
0.0		 3n5pA-2i9uA:
20.80
3n5pB-2i9uA:
20.80
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
 1.20A 3n5pA-2incA:
0.0
3n5pB-2incA:
0.0		 3n5pA-2incA:
20.73
3n5pB-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.
2j0r HEMIN TRANSPORT
PROTEIN HEMS

(Yersinia
enterocolitica) 		PF05171
(HemS) 		4 TRP A 189
PHE A 198
GLU A 188
VAL A 185
 None
 1.32A 3n5pA-2j0rA:
0.0
3n5pB-2j0rA:
0.0		 3n5pA-2j0rA:
21.89
3n5pB-2j0rA:
21.89
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.38A 3n5pA-2rttA:
0.0
3n5pB-2rttA:
0.0		 3n5pA-2rttA:
15.21
3n5pB-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 3n5pA-2xqxA:
0.0
3n5pB-2xqxA:
0.0		 3n5pA-2xqxA:
15.12
3n5pB-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.32A 3n5pA-3f3zA:
0.0
3n5pB-3f3zA:
0.0		 3n5pA-3f3zA:
21.12
3n5pB-3f3zA:
21.12
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.
3he1 MAJOR EXPORTED HCP3
PROTEIN

(Pseudomonas
aeruginosa) 		PF05638
(T6SS_HCP) 		4 TRP A  98
PHE A  44
GLU A  95
VAL A 114
 None
 1.47A 3n5pA-3he1A:
undetectable
3n5pB-3he1A:
undetectable		 3n5pA-3he1A:
18.33
3n5pB-3he1A:
18.33
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
 1.29A 3n5pA-3lccA:
undetectable
3n5pB-3lccA:
undetectable		 3n5pA-3lccA:
18.00
3n5pB-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.
4hk9 ENDO-1,4-BETA-XYLANA
SE 2

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		4 TRP A  79
VAL A  46
ARG A 122
TRP A  18
 XYP  A 202 (-4.7A)
XYP  A 202 (-4.9A)
XYP  A 203 (-3.7A)
XYP  A 202 (-4.1A)
 1.43A 3n5pA-4hk9A:
undetectable
3n5pB-4hk9A:
undetectable		 3n5pA-4hk9A:
18.41
3n5pB-4hk9A:
18.41
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		4 PHE A 275
GLU A  43
VAL A 152
ARG A 272
 None
FDA  A 801 (-2.7A)
None
None
 1.43A 3n5pA-4mifA:
undetectable
3n5pB-4mifA:
undetectable		 3n5pA-4mifA:
21.11
3n5pB-4mifA:
21.11
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.
4nk2 HEMOGLOBIN-LIKE
PROTEIN

(Methylacidiphilum
infernorum) 		PF01152
(Bac_globin) 		4 PHE A 191
GLU A 186
VAL A 182
TRP A 159
 None
 0.97A 3n5pA-4nk2A:
1.6
3n5pB-4nk2A:
undetectable		 3n5pA-4nk2A:
19.40
3n5pB-4nk2A:
19.40
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.15A 3n5pA-4o6xA:
undetectable
3n5pB-4o6xA:
undetectable		 3n5pA-4o6xA:
13.51
3n5pB-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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.46A 3n5pA-4okdA:
undetectable
3n5pB-4okdA:
undetectable		 3n5pA-4okdA:
20.26
3n5pB-4okdA:
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.
4pbv PROTEIN-TYROSINE
PHOSPHATASE
CRYPALPHA1 ISOFORM

(Gallus gallus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 PHE C  77
GLU C 101
VAL C 123
ARG C  76
 None
 1.49A 3n5pA-4pbvC:
undetectable
3n5pB-4pbvC:
undetectable		 3n5pA-4pbvC:
20.69
3n5pB-4pbvC:
20.69
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 TRP A 428
PHE A 431
GLU A 429
ARG A   9
 None
 1.47A 3n5pA-4qbuA:
0.5
3n5pB-4qbuA:
undetectable		 3n5pA-4qbuA:
21.38
3n5pB-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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 0.99A 3n5pA-4u3vA:
undetectable
3n5pB-4u3vA:
undetectable		 3n5pA-4u3vA:
19.43
3n5pB-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 3n5pA-5cowA:
1.1
3n5pB-5cowA:
undetectable		 3n5pA-5cowA:
20.85
3n5pB-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.
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
 1.46A 3n5pA-5gn5A:
undetectable
3n5pB-5gn5A:
undetectable		 3n5pA-5gn5A:
22.69
3n5pB-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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 PHE A 367
GLU A 246
VAL A 245
TRP A 265
 None
 1.39A 3n5pA-5hh9A:
undetectable
3n5pB-5hh9A:
undetectable		 3n5pA-5hh9A:
22.04
3n5pB-5hh9A:
22.04
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.13A 3n5pA-5jseA:
undetectable
3n5pB-5jseA:
undetectable		 3n5pA-5jseA:
19.58
3n5pB-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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.44A 3n5pA-5m7rA:
1.2
3n5pB-5m7rA:
undetectable		 3n5pA-5m7rA:
19.54
3n5pB-5m7rA:
19.54
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.
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
 1.12A 3n5pA-5m8tA:
0.3
3n5pB-5m8tA:
undetectable		 3n5pA-5m8tA:
21.55
3n5pB-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
 1.43A 3n5pA-5no8A:
1.0
3n5pB-5no8A:
undetectable		 3n5pA-5no8A:
21.65
3n5pB-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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.49A 3n5pA-5uhkA:
undetectable
3n5pB-5uhkA:
undetectable		 3n5pA-5uhkA:
21.09
3n5pB-5uhkA:
21.09