SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4j6o'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 LEU A 272
ILE A 298
GLU A 243
LEU A 245
VAL A 235
 None
 1.20A 1cqpA-4j6oA:
undetectable
1cqpB-4j6oA:
undetectable		 1cqpA-4j6oA:
20.82
1cqpB-4j6oA:
20.82
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.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 8 GLY A 334
LEU A 171
VAL A 313
PHE A 330
 None
None
PGE  A 502 (-4.2A)
None
 1.00A 1gsfC-4j6oA:
undetectable		 1gsfC-4j6oA:
20.22
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.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 233
HIS A 264
HIS A 189
 MN  A 508 ( 3.2A)
GOL  A 506 ( 3.2A)
MN  A 508 ( 3.5A)
 0.66A 1oe1A-4j6oA:
undetectable		 1oe1A-4j6oA:
23.10
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.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 233
HIS A 264
HIS A 189
 MN  A 508 ( 3.2A)
GOL  A 506 ( 3.2A)
MN  A 508 ( 3.5A)
 0.64A 1oe3A-4j6oA:
undetectable		 1oe3A-4j6oA:
23.10
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.
1WRL_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 205
MET A 251
VAL A 252
SER A 254
 None
 1.10A 1wrlA-4j6oA:
undetectable
1wrlB-4j6oA:
undetectable		 1wrlA-4j6oA:
21.35
1wrlB-4j6oA:
21.35
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.
2UZ2_A_ACTA1123_0
(XENAVIDIN)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 LEU A 383
TYR A 374
THR A 388
VAL A 385
 None
 1.12A 2uz2A-4j6oA:
undetectable		 2uz2A-4j6oA:
19.61
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.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 233
HIS A 264
HIS A 189
 MN  A 508 ( 3.2A)
GOL  A 506 ( 3.2A)
MN  A 508 ( 3.5A)
 0.67A 2xxgA-4j6oA:
undetectable		 2xxgA-4j6oA:
23.10
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.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ASP A 233
HIS A 264
HIS A 189
 MN  A 508 ( 3.2A)
GOL  A 506 ( 3.2A)
MN  A 508 ( 3.5A)
 0.68A 2xxgC-4j6oA:
undetectable		 2xxgC-4j6oA:
23.10
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ASP A 187
HIS A 264
ASP A 236
HIS A 189
GLY A 282
 MN  A 508 ( 3.2A)
GOL  A 506 ( 3.2A)
None
MN  A 508 ( 3.5A)
None
 1.36A 4bz6A-4j6oA:
undetectable
4bz6B-4j6oA:
undetectable		 4bz6A-4j6oA:
22.28
4bz6B-4j6oA:
22.28
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.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 274
LEU A 272
ASN A 273
THR A 286
LEU A 283
 None
 1.09A 4n48A-4j6oA:
undetectable		 4n48A-4j6oA:
21.53
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 274
LEU A 272
ASN A 273
THR A 286
LEU A 283
 None
 1.11A 4n48B-4j6oA:
undetectable		 4n48B-4j6oA:
21.53
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLU A 340
GLY A 186
ASP A 392
GLY A 232
 None
None
MN  A 508 ( 4.7A)
None
 0.85A 5cdnA-4j6oA:
undetectable
5cdnB-4j6oA:
undetectable		 5cdnA-4j6oA:
19.63
5cdnB-4j6oA:
22.05
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.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLU A 340
GLY A 186
ASP A 392
GLY A 232
 None
None
MN  A 508 ( 4.7A)
None
 0.88A 5cdnR-4j6oA:
undetectable
5cdnS-4j6oA:
undetectable		 5cdnR-4j6oA:
19.63
5cdnS-4j6oA:
22.05
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.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLU A 340
GLY A 186
ASP A 392
GLY A 232
 None
None
MN  A 508 ( 4.7A)
None
 0.86A 5cdnC-4j6oA:
undetectable
5cdnD-4j6oA:
undetectable		 5cdnC-4j6oA:
19.63
5cdnD-4j6oA:
22.05
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLU A 340
GLY A 186
ASP A 392
GLY A 232
 None
None
MN  A 508 ( 4.7A)
None
 0.86A 5cdnT-4j6oA:
undetectable
5cdnU-4j6oA:
undetectable		 5cdnT-4j6oA:
19.63
5cdnU-4j6oA:
22.05
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.
5CDQ_F_MFXF2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ASP A 183
ARG A 226
GLY A 203
GLU A 224
 None
None
None
GOL  A 507 (-3.4A)
 0.93A 5cdqA-4j6oA:
undetectable
5cdqC-4j6oA:
undetectable
5cdqD-4j6oA:
undetectable		 5cdqA-4j6oA:
19.63
5cdqC-4j6oA:
19.63
5cdqD-4j6oA:
23.92
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4j6o METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		4 / 6 HIS A 376
ASP A 233
ASP A 187
HIS A 323
 CIT  A 509 (-4.4A)
MN  A 508 ( 3.2A)
MN  A 508 ( 3.2A)
CIT  A 509 (-3.8A)
 0.93A 5ncdB-4j6oA:
undetectable
5ncdC-4j6oA:
undetectable		 5ncdB-4j6oA:
22.39
5ncdC-4j6oA:
22.39