SIMILAR PATTERNS OF AMINO ACIDS FOR 3W1W_B_CHDB502_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.
1a40 PHOSPHATE-BINDING
PERIPLASMIC PROTEIN
PRECURSOR

(Escherichia
coli) 		PF12849
(PBP_like_2) 		5 ILE A 180
ARG A 135
PRO A 219
GLY A  78
TRP A 250
 None
PO4  A 322 ( 2.7A)
None
None
None
 1.44A 3w1wB-1a40A:
0.8		 3w1wB-1a40A:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 ILE A 171
LEU A 158
SER A  23
GLY A 244
TRP A 245
 None
 1.18A 3w1wB-1w6sA:
0.0		 3w1wB-1w6sA:
21.20
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.
1zag PROTEIN
(ZINC-ALPHA-2-GLYCOP
ROTEIN)

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 MET A  60
ILE A 180
ARG A 183
LEU A 181
SER A  48
 None
 1.50A 3w1wB-1zagA:
0.0		 3w1wB-1zagA:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		9 MET A  99
ILE A 111
ARG A 114
LEU A 115
PRO A 266
SER A 268
GLY A 306
MET A 308
TRP A 310
 CHD  A   2 (-4.0A)
CHD  A   2 ( 4.7A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.8A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   2 ( 3.8A)
None
CHD  A   2 (-4.7A)
 0.33A 3w1wB-3aqiA:
60.3		 3w1wB-3aqiA:
99.72
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		5 ILE X  88
LEU X  90
PRO X  37
SER X  10
GLY X  46
 None
None
None
None
LLP  X  42 ( 3.7A)
 1.30A 3w1wB-4li3X:
2.1		 3w1wB-4li3X:
20.98
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.
4p37 PUTATIVE POLY(A)
POLYMERASE CATALYTIC
SUBUNIT

(Megavirus
chiliensis) 		no annotation 5 ILE B 255
LEU B 398
PRO B 285
GLY B 247
MET B 287
 None
 1.44A 3w1wB-4p37B:
0.0		 3w1wB-4p37B:
21.69
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.
4u9u NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ILE A 388
LEU A 391
PRO A 287
SER A 213
GLY A 280
 None
None
None
FAD  A1501 (-3.1A)
None
 1.08A 3w1wB-4u9uA:
3.3		 3w1wB-4u9uA:
22.19
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.
4wrm MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF00047
(ig)
PF13927
(Ig_3) 		5 ILE A  23
LEU A  40
PRO A 158
SER A 157
GLY A  80
 None
 1.39A 3w1wB-4wrmA:
0.0		 3w1wB-4wrmA:
22.16
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.
5d6a PREDICTED ATPASE OF
THE ABC CLASS

(Vibrio
vulnificus) 		PF09818
(ABC_ATPase) 		5 ILE A 379
LEU A 334
PRO A 532
SER A 510
GLY A 274
 None
 1.39A 3w1wB-5d6aA:
1.7		 3w1wB-5d6aA:
22.02
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 ILE A  52
ARG A 121
LEU A 118
PRO A 479
SER A 427
 None
 1.26A 3w1wB-5l44A:
undetectable		 3w1wB-5l44A:
18.88