SIMILAR PATTERNS OF AMINO ACIDS FOR 4KCP_A_H4BA502_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 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.47A 4kcpA-1kexA:
0.0
4kcpB-1kexA:
0.0		 4kcpA-1kexA:
15.51
4kcpB-1kexA:
15.51
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.
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
 1.34A 4kcpA-1l5jA:
0.0
4kcpB-1l5jA:
0.0		 4kcpA-1l5jA:
20.21
4kcpB-1l5jA:
20.21
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 VAL A 397
TRP A 441
PHE A 485
GLU A 405
 None
 1.48A 4kcpA-1zvdA:
0.0
4kcpB-1zvdA:
0.0		 4kcpA-1zvdA:
22.91
4kcpB-1zvdA:
22.91
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.
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
 1.33A 4kcpA-2d52A:
0.7
4kcpB-2d52A:
0.7		 4kcpA-2d52A:
21.89
4kcpB-2d52A:
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.
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
 1.27A 4kcpA-2incA:
0.0
4kcpB-2incA:
0.0		 4kcpA-2incA:
20.59
4kcpB-2incA:
20.59
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.
2jn9 YKVR PROTEIN

(Bacillus
subtilis) 		PF11514
(DUF3219) 		4 VAL A  54
ARG A  25
PHE A  61
GLU A  53
 None
 1.41A 4kcpA-2jn9A:
0.0
4kcpB-2jn9A:
0.0		 4kcpA-2jn9A:
13.99
4kcpB-2jn9A:
13.99
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 VAL A  37
TRP A  22
PHE A  41
GLU A  38
 None
 1.46A 4kcpA-2rttA:
0.0
4kcpB-2rttA:
0.0		 4kcpA-2rttA:
15.25
4kcpB-2rttA:
15.25
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9
ANAPHASE-PROMOTING
COMPLEX SUBUNIT HCN1
HCN1/CDC26,20S
CYCLOSOME/APC
COMPLEX PROTEIN
HCN1, CHAPERONE-LIKE
PROTEIN HCN1, HIGH
COPY SUPPRESSOR OF
CUT9 PROTEIN 1

(Schizosaccharomyces
pombe) 		PF10471
(ANAPC_CDC26)
PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		4 VAL A 505
ARG B   4
TRP A 515
PHE A 321
 None
 1.49A 4kcpA-2xpiA:
1.3
4kcpB-2xpiA:
0.9		 4kcpA-2xpiA:
21.73
4kcpB-2xpiA:
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.
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
 1.45A 4kcpA-2xqxA:
undetectable
4kcpB-2xqxA:
undetectable		 4kcpA-2xqxA:
15.23
4kcpB-2xqxA:
15.23
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.
3bwv PUTATIVE
5'(3')-DEOXYRIBONUCL
EOTIDASE

(Staphylococcus
epidermidis) 		PF06941
(NT5C) 		4 VAL A  76
TRP A 167
PHE A 110
GLU A  75
 None
 1.48A 4kcpA-3bwvA:
undetectable
4kcpB-3bwvA:
undetectable		 4kcpA-3bwvA:
16.44
4kcpB-3bwvA:
16.44
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
 1.34A 4kcpA-3g1nA:
undetectable
4kcpB-3g1nA:
undetectable		 4kcpA-3g1nA:
21.68
4kcpB-3g1nA:
21.68
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
 1.41A 4kcpA-3k77A:
undetectable
4kcpB-3k77A:
undetectable		 4kcpA-3k77A:
15.35
4kcpB-3k77A:
15.35
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
 1.35A 4kcpA-3lccA:
undetectable
4kcpB-3lccA:
1.3		 4kcpA-3lccA:
18.04
4kcpB-3lccA:
18.04
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.
3u41 TWIN-ARGININE
LEADER-BINDING
PROTEIN DMSD

(Escherichia
coli) 		PF02613
(Nitrate_red_del) 		4 VAL A  90
TRP A  87
TRP A 158
PHE A 162
 GOL  A 306 (-4.0A)
None
None
None
 1.39A 4kcpA-3u41A:
undetectable
4kcpB-3u41A:
1.0		 4kcpA-3u41A:
21.11
4kcpB-3u41A:
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.
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
 1.00A 4kcpA-3vv4A:
undetectable
4kcpB-3vv4A:
1.7		 4kcpA-3vv4A:
19.96
4kcpB-3vv4A:
19.96
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.
3zn6 VP17

(Thermus virus
P23-77) 		no annotation 4 VAL A 102
ARG A 114
PHE A 166
GLU A 179
 None
 1.38A 4kcpA-3zn6A:
undetectable
4kcpB-3zn6A:
undetectable		 4kcpA-3zn6A:
20.35
4kcpB-3zn6A:
20.35
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 VAL A  35
TRP A  34
PHE A  30
GLU A  36
 None
 1.46A 4kcpA-4j8cA:
undetectable
4kcpB-4j8cA:
undetectable		 4kcpA-4j8cA:
8.45
4kcpB-4j8cA:
8.45
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 VAL A  71
ARG A  58
PHE A  28
GLU A  25
 None
 1.21A 4kcpA-4o6xA:
undetectable
4kcpB-4o6xA:
undetectable		 4kcpA-4o6xA:
13.54
4kcpB-4o6xA:
13.54
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ARG A   9
TRP A 428
PHE A 431
GLU A 429
 None
 1.44A 4kcpA-4qbuA:
undetectable
4kcpB-4qbuA:
0.6		 4kcpA-4qbuA:
21.53
4kcpB-4qbuA:
21.53
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 VAL A  19
TRP A 140
PHE A 144
GLU A 139
 None
 0.99A 4kcpA-4u3vA:
undetectable
4kcpB-4u3vA:
undetectable		 4kcpA-4u3vA:
19.47
4kcpB-4u3vA:
19.47
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
 1.29A 4kcpA-5cowA:
undetectable
4kcpB-5cowA:
1.7		 4kcpA-5cowA:
20.90
4kcpB-5cowA:
20.90
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
 1.48A 4kcpA-5gn5A:
undetectable
4kcpB-5gn5A:
undetectable		 4kcpA-5gn5A:
22.69
4kcpB-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 VAL A 341
TRP A 323
TRP A 347
PHE A 290
 None
 1.09A 4kcpA-5jseA:
undetectable
4kcpB-5jseA:
undetectable		 4kcpA-5jseA:
19.31
4kcpB-5jseA:
19.31
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4019
TRP B4065
PHE B4109
GLU B4033
 None
 1.27A 4kcpA-5lp8B:
undetectable
4kcpB-5lp8B:
undetectable		 4kcpA-5lp8B:
21.31
4kcpB-5lp8B:
21.31
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.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 VAL N 120
ARG P  16
PHE N 115
GLU N 117
 None
 1.15A 4kcpA-5lskN:
undetectable
4kcpB-5lskN:
2.9		 4kcpA-5lskN:
19.09
4kcpB-5lskN:
19.09
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.
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
 1.08A 4kcpA-5m8tA:
undetectable
4kcpB-5m8tA:
0.5		 4kcpA-5m8tA:
21.75
4kcpB-5m8tA:
21.75
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
 1.46A 4kcpA-5no8A:
undetectable
4kcpB-5no8A:
1.5		 4kcpA-5no8A:
21.87
4kcpB-5no8A:
21.87
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.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 4 VAL A 703
TRP A 700
PHE A 745
GLU A 706
 None
 1.42A 4kcpA-5u9oA:
undetectable
4kcpB-5u9oA:
undetectable		 4kcpA-5u9oA:
11.32
4kcpB-5u9oA:
11.32
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 VAL A  57
TRP A  56
PHE A  49
GLU A  54
 None
 1.05A 4kcpA-5vyoA:
undetectable
4kcpB-5vyoA:
undetectable		 4kcpA-5vyoA:
9.71
4kcpB-5vyoA:
9.71