SIMILAR PATTERNS OF AMINO ACIDS FOR 5VVD_C_H4BC502_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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.41A 5vvdC-1dvkA:
undetectable
5vvdD-1dvkA:
0.4		 5vvdC-1dvkA:
16.48
5vvdD-1dvkA:
16.48
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 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.50A 5vvdC-1kexA:
0.0
5vvdD-1kexA:
undetectable		 5vvdC-1kexA:
16.39
5vvdD-1kexA:
16.39
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.
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
 1.32A 5vvdC-1l5jA:
0.0
5vvdD-1l5jA:
0.0		 5vvdC-1l5jA:
20.71
5vvdD-1l5jA:
20.71
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)
 1.38A 5vvdC-1nrkA:
0.0
5vvdD-1nrkA:
0.0		 5vvdC-1nrkA:
22.63
5vvdD-1nrkA:
22.63
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.
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
 1.34A 5vvdC-2d52A:
0.6
5vvdD-2d52A:
0.3		 5vvdC-2d52A:
20.39
5vvdD-2d52A:
20.39
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.
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
 1.32A 5vvdC-2d9jA:
0.0
5vvdD-2d9jA:
0.0		 5vvdC-2d9jA:
17.36
5vvdD-2d9jA:
17.36
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 VAL A 344
ARG A 210
PHE A 267
GLU A 352
 None
 1.45A 5vvdC-2fuqA:
0.0
5vvdD-2fuqA:
0.0		 5vvdC-2fuqA:
19.28
5vvdD-2fuqA:
19.28
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
 1.32A 5vvdC-2incA:
0.0
5vvdD-2incA:
0.0		 5vvdC-2incA:
21.77
5vvdD-2incA:
21.77
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 VAL A 185
TRP A 189
PHE A 198
GLU A 188
 None
 1.32A 5vvdC-2j0rA:
0.0
5vvdD-2j0rA:
0.0		 5vvdC-2j0rA:
20.39
5vvdD-2j0rA:
20.39
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.46A 5vvdC-2rttA:
0.0
5vvdD-2rttA:
0.0		 5vvdC-2rttA:
15.38
5vvdD-2rttA:
15.38
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		4 VAL A 811
TRP A 840
PHE A 816
GLU A 826
 None
 1.47A 5vvdC-2xqxA:
undetectable
5vvdD-2xqxA:
undetectable		 5vvdC-2xqxA:
14.58
5vvdD-2xqxA:
14.58
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.00A 5vvdC-3ckbA:
undetectable
5vvdD-3ckbA:
0.0		 5vvdC-3ckbA:
20.99
5vvdD-3ckbA:
20.99
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
 1.32A 5vvdC-3g1nA:
undetectable
5vvdD-3g1nA:
0.0		 5vvdC-3g1nA:
21.02
5vvdD-3g1nA:
21.02
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.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		4 VAL A  89
ARG A 109
PHE A  93
GLU A  69
 None
 1.43A 5vvdC-3k77A:
undetectable
5vvdD-3k77A:
undetectable		 5vvdC-3k77A:
15.58
5vvdD-3k77A:
15.58
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 VAL A 120
ARG A  69
PHE A 133
GLU A 122
 None
 1.25A 5vvdC-3lccA:
undetectable
5vvdD-3lccA:
undetectable		 5vvdC-3lccA:
17.98
5vvdD-3lccA:
17.98
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
 1.04A 5vvdC-3vv4A:
0.1
5vvdD-3vv4A:
undetectable		 5vvdC-3vv4A:
18.33
5vvdD-3vv4A:
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.14A 5vvdC-4o6xA:
undetectable
5vvdD-4o6xA:
undetectable		 5vvdC-4o6xA:
12.95
5vvdD-4o6xA:
12.95
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 ARG A   9
TRP A 428
PHE A 431
GLU A 429
 None
 1.47A 5vvdC-4qbuA:
undetectable
5vvdD-4qbuA:
undetectable		 5vvdC-4qbuA:
21.46
5vvdD-4qbuA:
21.46
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 5vvdC-4u3vA:
0.0
5vvdD-4u3vA:
undetectable		 5vvdC-4u3vA:
20.76
5vvdD-4u3vA:
20.76
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 VAL A 409
TRP A 407
PHE A 404
GLU A 410
 None
 1.30A 5vvdC-5cowA:
0.5
5vvdD-5cowA:
0.0		 5vvdC-5cowA:
21.97
5vvdD-5cowA:
21.97
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
 1.44A 5vvdC-5ft6A:
0.5
5vvdD-5ft6A:
undetectable		 5vvdC-5ft6A:
22.63
5vvdD-5ft6A:
22.63
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.
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
 1.46A 5vvdC-5gn5A:
0.7
5vvdD-5gn5A:
undetectable		 5vvdC-5gn5A:
21.73
5vvdD-5gn5A:
21.73
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 VAL A 245
TRP A 265
PHE A 367
GLU A 246
 None
 1.47A 5vvdC-5hh9A:
undetectable
5vvdD-5hh9A:
undetectable		 5vvdC-5hh9A:
21.59
5vvdD-5hh9A:
21.59
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
 1.09A 5vvdC-5jseA:
undetectable
5vvdD-5jseA:
undetectable		 5vvdC-5jseA:
18.54
5vvdD-5jseA:
18.54
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.19A 5vvdC-5lp8B:
undetectable
5vvdD-5lp8B:
undetectable		 5vvdC-5lp8B:
22.42
5vvdD-5lp8B:
22.42
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.06A 5vvdC-5m8tA:
0.0
5vvdD-5m8tA:
undetectable		 5vvdC-5m8tA:
22.16
5vvdD-5m8tA:
22.16
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 5vvdC-5vyoA:
undetectable
5vvdD-5vyoA:
undetectable		 5vvdC-5vyoA:
12.05
5vvdD-5vyoA:
12.05
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 4 VAL A 128
TRP A 137
PHE A 134
GLU A 132
 None
 1.25A 5vvdC-6ci7A:
0.0
5vvdD-6ci7A:
undetectable		 5vvdC-6ci7A:
11.06
5vvdD-6ci7A:
11.06