SIMILAR PATTERNS OF AMINO ACIDS FOR 5CZ7_B_BO2B201

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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A 127
THR A 108
THR A 107
THR A 106
ARG A 158
 None
None
None
None
POP  A1155 (-3.1A)
 1.34A 5cz7V-1ocmA:
0.0
5cz7b-1ocmA:
undetectable		 5cz7V-1ocmA:
19.76
5cz7b-1ocmA:
18.56
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 SER A 100
THR A 106
THR A  39
ALA A 112
THR A 258
 None
 1.40A 5cz7V-2anpA:
0.0
5cz7b-2anpA:
0.0		 5cz7V-2anpA:
21.69
5cz7b-2anpA:
22.60
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.
3b5i S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE-LI
KE PROTEIN

(Arabidopsis
thaliana) 		PF03492
(Methyltransf_7) 		5 SER A 175
THR A 192
THR A 193
THR A 194
ARG A 180
 None
 1.47A 5cz7V-3b5iA:
undetectable
5cz7b-3b5iA:
0.0		 5cz7V-3b5iA:
20.74
5cz7b-3b5iA:
18.98
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 5cz7V-3la4A:
0.0
5cz7b-3la4A:
0.0		 5cz7V-3la4A:
15.16
5cz7b-3la4A:
14.36
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 SER A 149
THR A  98
THR A  99
ALA A 150
THR A 154
 None
 1.40A 5cz7V-3m1aA:
0.0
5cz7b-3m1aA:
0.0		 5cz7V-3m1aA:
22.82
5cz7b-3m1aA:
22.46
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 8 THR N   1
THR N  20
THR N  21
THR N  22
LYS N  33
ARG N  45
ALA N  49
THR N  52
 None
 0.43A 5cz7V-3mg6N:
29.4
5cz7b-3mg6N:
38.7		 5cz7V-3mg6N:
29.49
5cz7b-3mg6N:
100.00
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 5cz7V-3qgkC:
0.0
5cz7b-3qgkC:
0.0		 5cz7V-3qgkC:
18.73
5cz7b-3qgkC:
15.88
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.
3rfw CELL-BINDING FACTOR
2

(Campylobacter
jejuni) 		PF13616
(Rotamase_3) 		5 THR A 209
THR A 211
THR A 212
THR A 213
ALA A 201
 None
 1.34A 5cz7V-3rfwA:
0.0
5cz7b-3rfwA:
undetectable		 5cz7V-3rfwA:
23.13
5cz7b-3rfwA:
23.36
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 SER A 230
THR A 145
THR A 238
ALA A 231
THR A 195
 None
UNL  A 281 ( 3.8A)
None
None
UNL  A 281 ( 2.6A)
 1.28A 5cz7V-3tjrA:
0.0
5cz7b-3tjrA:
0.0		 5cz7V-3tjrA:
21.59
5cz7b-3tjrA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.71A 5cz7V-3unfH:
35.7
5cz7b-3unfH:
30.9		 5cz7V-3unfH:
46.78
5cz7b-3unfH:
27.11
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 5cz7V-4g7eB:
undetectable
5cz7b-4g7eB:
undetectable		 5cz7V-4g7eB:
14.55
5cz7b-4g7eB:
13.00
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H   6
THR H  74
THR H  73
ALA H  20
THR H  18
 None
 1.46A 5cz7V-4hbcH:
undetectable
5cz7b-4hbcH:
undetectable		 5cz7V-4hbcH:
21.43
5cz7b-4hbcH:
20.70
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.
4km3 METHIONINE
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF00557
(Peptidase_M24) 		5 SER A  74
THR A 248
THR A 244
ARG A  85
ALA A  82
 None
 1.48A 5cz7V-4km3A:
undetectable
5cz7b-4km3A:
0.1		 5cz7V-4km3A:
21.85
5cz7b-4km3A:
20.07
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.
4ppy PUTATIVE
ACYLHYDROLASE

(Bacteroides
fragilis) 		PF13472
(Lipase_GDSL_2) 		5 THR A 151
THR A 150
THR A 149
ALA A 112
THR A 128
 None
 1.45A 5cz7V-4ppyA:
undetectable
5cz7b-4ppyA:
0.3		 5cz7V-4ppyA:
21.05
5cz7b-4ppyA:
19.18
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A 214
THR A 216
THR A 217
ARG A 501
THR A 502
 None
 1.12A 5cz7V-5az4A:
undetectable
5cz7b-5az4A:
undetectable		 5cz7V-5az4A:
16.17
5cz7b-5az4A:
14.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
ALA H  49
THR H  52
 None
 0.37A 5cz7V-5fg9H:
37.4
5cz7b-5fg9H:
28.0		 5cz7V-5fg9H:
98.31
5cz7b-5fg9H:
29.41
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 SER A 713
THR A 345
THR A 341
ALA A 698
THR A 700
 None
 1.47A 5cz7V-5mpmA:
undetectable
5cz7b-5mpmA:
undetectable		 5cz7V-5mpmA:
17.26
5cz7b-5mpmA:
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 SER A 319
THR A 286
THR A 287
THR A 288
ALA A 317
 None
EDO  A 818 (-4.2A)
None
EDO  A 818 (-4.1A)
None
 0.98A 5cz7V-5v1wA:
undetectable
5cz7b-5v1wA:
1.6		 5cz7V-5v1wA:
15.01
5cz7b-5v1wA:
14.20
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 SER A  26
THR A  90
THR A 105
ALA A 108
THR A  60
 None
 1.20A 5cz7V-5xqoA:
undetectable
5cz7b-5xqoA:
undetectable		 5cz7V-5xqoA:
16.52
5cz7b-5xqoA:
21.05
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 SER A 238
THR A 271
THR A 272
ARG A 105
ALA A 266
 None
 1.46A 5cz7V-6cboA:
undetectable
5cz7b-6cboA:
undetectable		 5cz7V-6cboA:
13.14
5cz7b-6cboA:
17.71
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 404
THR L 275
THR L 276
ALA L 282
THR L 412
 None
 1.21A 5cz7V-6g2jL:
undetectable
5cz7b-6g2jL:
undetectable		 5cz7V-6g2jL:
17.05
5cz7b-6g2jL:
17.02