SIMILAR PATTERNS OF AMINO ACIDS FOR 4CIP_A_ASCA130_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		4 ALA A  18
GLY A 116
CYH A 119
HIS A 123
 HEC  A 131 ( 3.8A)
None
HEC  A 131 (-1.8A)
HEC  A 131 (-3.1A)
 0.32A 4cipA-1gqaA:
17.7		 4cipA-1gqaA:
39.10
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		4 ALA A  72
GLY A  82
CYH A  75
HIS A  29
 None
None
None
ZN  A 160 ( 3.2A)
 1.23A 4cipA-1yb0A:
undetectable		 4cipA-1yb0A:
21.60
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.
1zki HYPOTHETICAL PROTEIN
PA5202

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		4 ALA A 127
GLY A  61
CYH A  64
HIS A  68
 None
 1.14A 4cipA-1zkiA:
undetectable		 4cipA-1zkiA:
17.52
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.47A 4cipA-2fzwA:
undetectable		 4cipA-2fzwA:
17.38
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 ALA A 436
GLY A 480
CYH A 479
HIS A 202
 None
None
None
FAD  A 700 (-3.9A)
 1.45A 4cipA-2i0kA:
undetectable		 4cipA-2i0kA:
13.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j8w CYTOCHROME C'

(Rubrivivax
gelatinosus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 116
CYH A 119
HIS A 123
 HEM  A1129 ( 3.7A)
None
HEM  A1129 (-1.8A)
HEM  A1129 (-3.4A)
 0.17A 4cipA-2j8wA:
21.3		 4cipA-2j8wA:
47.69
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.
3d2s MUSCLEBLIND-LIKE
PROTEIN 1

(Homo sapiens) 		PF00642
(zf-CCCH) 		4 ALA A 203
GLY A 196
CYH A 200
HIS A 242
 None
None
ZN  A 303 (-2.3A)
None
 1.31A 4cipA-3d2sA:
undetectable		 4cipA-3d2sA:
17.59
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 ALA A 595
GLY A 211
CYH A 213
HIS A 604
 None
 1.38A 4cipA-3egwA:
undetectable		 4cipA-3egwA:
7.41
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		4 ALA A  78
GLY A 149
CYH A  24
HIS A  94
 None
 1.04A 4cipA-3l0zA:
0.0		 4cipA-3l0zA:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vrc CYTOCHROME C'

(Thermochromatium
tepidum) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 118
CYH A 121
HIS A 125
 HEC  A 200 ( 3.8A)
None
HEC  A 200 (-1.9A)
HEC  A 200 (-3.3A)
 0.19A 4cipA-3vrcA:
17.3		 4cipA-3vrcA:
30.30
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 163
GLY A 341
CYH A 340
HIS A 335
 None
 1.16A 4cipA-4ewgA:
undetectable		 4cipA-4ewgA:
17.35
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 394
GLY A 341
CYH A 340
HIS A 335
 None
 1.28A 4cipA-4ewgA:
undetectable		 4cipA-4ewgA:
17.35
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 ALA A 444
GLY A 429
CYH A 430
HIS A 432
 None
 1.44A 4cipA-4jz6A:
0.5		 4cipA-4jz6A:
13.81
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 ALA A 713
GLY A 683
CYH A 686
HIS A 690
 None
 0.78A 4cipA-4lglA:
undetectable		 4cipA-4lglA:
9.19
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.
4ymr PROTEIN SNX21

(Mus musculus) 		no annotation 4 ALA A 251
GLY A 278
CYH A 282
HIS A 283
 None
 1.38A 4cipA-4ymrA:
1.8		 4cipA-4ymrA:
23.60
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.
4ymr PROTEIN SNX21

(Mus musculus) 		no annotation 4 ALA A 254
GLY A 278
CYH A 282
HIS A 283
 None
 1.48A 4cipA-4ymrA:
1.8		 4cipA-4ymrA:
23.60
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.
4z9d PERTUSSIS TOXIN-LIKE
SUBUNIT ARTA

(Escherichia
coli) 		PF02917
(Pertussis_S1) 		4 ALA A  52
GLY A  38
CYH A  41
HIS A  26
 NAD  A 202 (-3.5A)
NAD  A 202 (-3.8A)
NAD  A 202 (-4.1A)
NAD  A 202 (-3.8A)
 1.39A 4cipA-4z9dA:
undetectable		 4cipA-4z9dA:
16.57
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.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		4 ALA A  21
GLY A  39
CYH A  37
HIS A 326
 None
 1.49A 4cipA-5a11A:
undetectable		 4cipA-5a11A:
16.00
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 ALA A 138
GLY A 143
CYH A 344
HIS A 348
 None
 1.31A 4cipA-5aexA:
0.0		 4cipA-5aexA:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3i CYTOCHROME C PRIME

(Hydrogenophilus
thermoluteolus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 121
CYH A 124
HIS A 128
 HEM  A 201 (-3.6A)
None
HEM  A 201 (-1.8A)
HEM  A 201 (-3.4A)
 0.15A 4cipA-5b3iA:
17.4		 4cipA-5b3iA:
34.31
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 ALA A 129
GLY A  70
CYH A  46
HIS A 102
 None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.3A)
 1.29A 4cipA-5b5zA:
undetectable		 4cipA-5b5zA:
17.38
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.
5eyi NON-STRUCTURAL
PROTEIN 11

(Porcine
reproductive
and respiratory
syndrome virus) 		no annotation 4 ALA A 173
GLY A 133
CYH A 143
HIS A 144
 None
None
None
CL  A 302 (-4.8A)
 1.02A 4cipA-5eyiA:
undetectable		 4cipA-5eyiA:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 113
CYH A 116
HIS A 120
 ASC  A 202 ( 3.3A)
ASC  A 202 (-3.9A)
HEC  A 201 (-1.9A)
HEC  A 201 (-3.2A)
 0.10A 4cipA-5jt4A:
25.0		 4cipA-5jt4A:
99.20
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.
5k8o 5-NITROANTHRANILIC
ACID AMINOHYDROLASE

(Bradyrhizobium
sp.) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ALA A 394
GLY A 127
CYH A 125
HIS A  86
 6R7  A 502 (-4.2A)
None
MN  A 501 ( 4.9A)
MN  A 501 (-3.4A)
 1.47A 4cipA-5k8oA:
undetectable		 4cipA-5k8oA:
15.02
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.
5x45 PROTEASE 2A

(Rhinovirus C) 		no annotation 4 ALA A 121
GLY A 106
CYH A  16
HIS A  18
 None
 1.25A 4cipA-5x45A:
undetectable		 4cipA-5x45A:
undetectable
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.
5y51 -

(-) 		no annotation 4 ALA A  21
GLY A  16
CYH A  18
HIS A 169
 None
 1.47A 4cipA-5y51A:
undetectable		 4cipA-5y51A:
undetectable