SIMILAR PATTERNS OF AMINO ACIDS FOR 2CL5_B_SAMB1217_0

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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.76A 2cl5B-1susA:
21.7		 2cl5B-1susA:
25.48
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A  62
GLU A  15
TYR A  32
HIS A  16
ARG A  40
 None
 1.22A 2cl5B-1vkzA:
3.7		 2cl5B-1vkzA:
20.48
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 MET B 682
ASN B 683
VAL B 684
TYR B 720
MET B 725
 None
 1.44A 2cl5B-2bkuB:
undetectable		 2cl5B-2bkuB:
14.53
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.
2oy3 MACROPHAGE RECEPTOR
MARCO

(Mus musculus) 		PF00530
(SRCR) 		5 ASN A 486
VAL A 485
GLU A 491
GLY A 489
ARG A 466
 None
 1.29A 2cl5B-2oy3A:
undetectable		 2cl5B-2oy3A:
17.19
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.
2ws9 P1
P1

(Equine rhinitis
A virus;
Equine rhinitis
A virus) 		no annotation
PF00073
(Rhv) 		5 ASN 1   3
VAL 1   1
GLU 1   9
GLY 1   8
ARG 3 135
 None
 1.44A 2cl5B-2ws91:
undetectable		 2cl5B-2ws91:
19.16
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ASN A 422
GLU A 419
GLY A 425
TYR A 423
TYR A 421
 None
 1.38A 2cl5B-3akfA:
undetectable		 2cl5B-3akfA:
19.07
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		5 ASN A 274
VAL A 273
GLY A 209
TYR A  34
MET A  25
 None
 1.50A 2cl5B-3b8yA:
0.2		 2cl5B-3b8yA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		11 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.39A 2cl5B-3bwmA:
39.7		 2cl5B-3bwmA:
81.31
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.
3f8u TAPASIN

(Homo sapiens) 		PF07654
(C1-set) 		5 VAL B 150
GLU B 246
GLY B 247
TYR B 269
ARG B 187
 None
 1.39A 2cl5B-3f8uB:
undetectable		 2cl5B-3f8uB:
21.81
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.39A 2cl5B-3fsgA:
2.7		 2cl5B-3fsgA:
23.16
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 MET X 412
ASN X 413
GLY X 437
HIS X 464
ARG X 496
 None
 1.38A 2cl5B-3kvnX:
undetectable		 2cl5B-3kvnX:
15.93
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ASN A 104
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 0.51A 2cl5B-3ntvA:
21.3		 2cl5B-3ntvA:
22.83
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 VAL A 198
GLY A  55
TYR A 344
TRP A 170
ARG A  52
 None
 1.26A 2cl5B-3up4A:
1.6		 2cl5B-3up4A:
17.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
TYR A 114
ASN A 135
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
None
None
None
 0.55A 2cl5B-4p58A:
33.5		 2cl5B-4p58A:
97.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLU A 107
GLY A 109
TYR A 138
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
None
None
 0.92A 2cl5B-4p58A:
33.5		 2cl5B-4p58A:
97.64
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.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 MET A 211
VAL A 217
GLY A  22
HIS A  24
ARG A   8
 None
 1.49A 2cl5B-4u02A:
undetectable		 2cl5B-4u02A:
23.35
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.55A 2cl5B-5kvaA:
21.9		 2cl5B-5kvaA:
24.49
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.53A 2cl5B-5kvaA:
21.9		 2cl5B-5kvaA:
24.49
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ASN A 605
GLU A 424
GLY A 608
MET A 611
HIS A 425
 None
 1.32A 2cl5B-5n4lA:
undetectable		 2cl5B-5n4lA:
undetectable