SIMILAR PATTERNS OF AMINO ACIDS FOR 3NLD_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.
1iuf CENTROMERE ABP1
PROTEIN

(Schizosaccharomyces
pombe) 		PF03221
(HTH_Tnp_Tc5) 		4 TRP A 130
PHE A 126
GLU A 132
TRP A  89
 None
 1.41A 3nldA-1iufA:
0.0
3nldB-1iufA:
0.8		 3nldA-1iufA:
13.92
3nldB-1iufA:
13.92
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
 1.50A 3nldA-2d52A:
0.8
3nldB-2d52A:
0.9		 3nldA-2d52A:
21.85
3nldB-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.
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
 1.28A 3nldA-2incA:
0.0
3nldB-2incA:
0.0		 3nldA-2incA:
20.73
3nldB-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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.38A 3nldA-2rttA:
0.0
3nldB-2rttA:
0.0		 3nldA-2rttA:
15.21
3nldB-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 3nldA-2xqxA:
0.0
3nldB-2xqxA:
0.0		 3nldA-2xqxA:
15.12
3nldB-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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A4109
GLU A4033
VAL A4019
TRP A4065
 None
 1.29A 3nldA-3g1nA:
0.0
3nldB-3g1nA:
0.0		 3nldA-3g1nA:
21.64
3nldB-3g1nA:
21.64
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
 1.33A 3nldA-3lccA:
1.0
3nldB-3lccA:
0.0		 3nldA-3lccA:
18.00
3nldB-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)
 1.03A 3nldA-3vv4A:
0.0
3nldB-3vv4A:
0.0		 3nldA-3vv4A:
19.91
3nldB-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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.13A 3nldA-4o6xA:
1.1
3nldB-4o6xA:
1.0		 3nldA-4o6xA:
13.51
3nldB-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)
 1.42A 3nldA-4okdA:
0.0
3nldB-4okdA:
undetectable		 3nldA-4okdA:
20.26
3nldB-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
 1.47A 3nldA-4pbvC:
undetectable
3nldB-4pbvC:
undetectable		 3nldA-4pbvC:
20.69
3nldB-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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.04A 3nldA-4u3vA:
undetectable
3nldB-4u3vA:
undetectable		 3nldA-4u3vA:
19.43
3nldB-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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.17A 3nldA-5jseA:
undetectable
3nldB-5jseA:
undetectable		 3nldA-5jseA:
19.58
3nldB-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
 1.19A 3nldA-5lp8B:
undetectable
3nldB-5lp8B:
0.9		 3nldA-5lp8B:
21.27
3nldB-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.
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
 1.23A 3nldA-5m8tA:
undetectable
3nldB-5m8tA:
0.0		 3nldA-5m8tA:
21.55
3nldB-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
 1.49A 3nldA-5no8A:
undetectable
3nldB-5no8A:
1.9		 3nldA-5no8A:
21.65
3nldB-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
 1.06A 3nldA-5vyoA:
0.4
3nldB-5vyoA:
0.5		 3nldA-5vyoA:
10.31
3nldB-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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 TRP A 323
PHE A 280
GLU A 324
VAL A 310
 None
 1.35A 3nldA-5yfbA:
0.2
3nldB-5yfbA:
0.9		 3nldA-5yfbA:
12.01
3nldB-5yfbA:
12.01