SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3cgd'

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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 11 LEU A 335
VAL A 398
TYR A 375
GLY A 397
LEU A 337
 None
 1.35A 1fkpA-3cgdA:
undetectable		 1fkpA-3cgdA:
21.03
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.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 11 LEU A 315
ALA A 284
ALA A 280
TYR A 278
ARG A 318
 None
 1.30A 1iiuA-3cgdA:
undetectable		 1iiuA-3cgdA:
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 LEU A 315
ALA A 284
ALA A 280
TYR A 278
ARG A 318
 None
 1.30A 1kt4A-3cgdA:
undetectable		 1kt4A-3cgdA:
15.56
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 LEU A 315
ALA A 284
ALA A 280
TYR A 278
ARG A 318
 None
 1.30A 1kt5A-3cgdA:
undetectable		 1kt5A-3cgdA:
15.25
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 9 LEU A 335
VAL A 398
TYR A 375
GLY A 397
LEU A 337
 None
 1.43A 1lwfA-3cgdA:
undetectable		 1lwfA-3cgdA:
21.40
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.
2JFA_A_RALA600_1
(ESTROGEN RECEPTOR)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		6 / 12 ALA A 347
GLU A 346
LEU A 350
LEU A 342
ARG A 339
ILE A 415
 None
 1.29A 2jfaA-3cgdA:
undetectable		 2jfaA-3cgdA:
21.49
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 LEU A 342
ASN A 343
LEU A 388
GLY A 389
VAL A 289
 None
 1.47A 2q7lA-3cgdA:
undetectable		 2q7lA-3cgdA:
20.13
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.
2QXS_B_RALB600_1
(ESTROGEN RECEPTOR)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		6 / 12 ALA A 347
GLU A 346
LEU A 350
LEU A 342
ARG A 339
ILE A 415
 None
 1.36A 2qxsB-3cgdA:
undetectable		 2qxsB-3cgdA:
20.77
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 11 THR A 168
MET A 165
ILE A 161
LEU A 239
ILE A 141
 None
None
NAD  A 818 (-3.8A)
None
None
 1.30A 3a50B-3cgdA:
undetectable		 3a50B-3cgdA:
19.84
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.
3CLB_B_TMQB612_1
(DHFR-TS)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 ILE A 188
THR A 327
ILE A 299
PRO A 298
ILE A 329
 None
None
FAD  A 446 ( 4.0A)
NAD  A 818 (-4.0A)
None
 1.01A 3clbB-3cgdA:
undetectable		 3clbB-3cgdA:
20.79
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 10 ALA A  15
ALA A  16
VAL A 266
ILE A 264
CYH A 283
 None
 0.96A 3falA-3cgdA:
undetectable		 3falA-3cgdA:
19.67
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.
3R9T_B_BEZB264_0
(ECHA1_1)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 7 ILE A 436
LEU A 378
GLU A 419
ALA A 443
 None
 0.82A 3r9tB-3cgdA:
undetectable		 3r9tB-3cgdA:
20.74
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.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		3 / 3 TYR A 278
ASP A 316
ASP A  23
 None
 0.72A 4a6eA-3cgdA:
3.7		 4a6eA-3cgdA:
21.83
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.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 8 THR A 248
ILE A 264
VAL A 266
GLY A 281
 None
None
None
FAD  A 446 (-3.3A)
 0.86A 4eq4B-3cgdA:
undetectable		 4eq4B-3cgdA:
22.85
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 7 ASN A 259
ALA A 263
VAL A 266
ILE A 299
 None
None
None
FAD  A 446 ( 4.0A)
 0.77A 4eyrA-3cgdA:
undetectable		 4eyrA-3cgdA:
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 8 ASN A  62
ARG A  61
ASP A   9
ILE A 135
 None
COA  A 445 (-2.9A)
FAD  A 446 ( 3.5A)
None
 1.00A 4k0bA-3cgdA:
undetectable		 4k0bA-3cgdA:
23.26
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.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 8 ASN A  62
ARG A  61
ASP A   9
ILE A 135
 None
COA  A 445 (-2.9A)
FAD  A 446 ( 3.5A)
None
 1.07A 4l7iA-3cgdA:
undetectable		 4l7iA-3cgdA:
23.26
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.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 LEU A 342
LEU A 388
GLN A 386
VAL A 289
ILE A 402
 None
 1.24A 4oktA-3cgdA:
undetectable		 4oktA-3cgdA:
17.95
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 11 GLY A 159
GLY A 158
MET A 178
GLY A 328
PHE A 332
 NAD  A 818 (-3.2A)
NAD  A 818 ( 4.3A)
None
NAD  A 818 ( 4.7A)
None
 1.04A 4qoiA-3cgdA:
undetectable
4qoiB-3cgdA:
undetectable		 4qoiA-3cgdA:
18.28
4qoiB-3cgdA:
18.28
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.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 7 LEU A 108
THR A 272
THR A 254
LEU A 251
THR A  85
 None
 1.35A 4z91F-3cgdA:
undetectable
4z91G-3cgdA:
undetectable
4z91H-3cgdA:
undetectable
4z91I-3cgdA:
undetectable
4z91J-3cgdA:
undetectable		 4z91F-3cgdA:
20.29
4z91G-3cgdA:
20.29
4z91H-3cgdA:
20.29
4z91I-3cgdA:
20.29
4z91J-3cgdA:
20.29
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.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 6 ILE A 297
PRO A 298
ILE A 264
VAL A 266
 None
NAD  A 818 (-4.0A)
None
None
 0.81A 4zj8A-3cgdA:
4.2		 4zj8A-3cgdA:
21.92
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.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 7 ALA A  92
LYS A  33
GLU A  32
HIS A  78
 None
FAD  A 446 (-3.7A)
FAD  A 446 (-2.8A)
None
 1.15A 5ecnA-3cgdA:
undetectable		 5ecnA-3cgdA:
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.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 MET A 314
GLY A 307
TYR A 278
TYR A 269
ALA A  10
 None
None
None
None
FAD  A 446 (-3.5A)
 1.09A 5kvaA-3cgdA:
3.4		 5kvaA-3cgdA:
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_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 MET A 314
GLY A 307
TYR A 278
TYR A 269
ALA A  10
 None
None
None
None
FAD  A 446 (-3.5A)
 1.10A 5kvaB-3cgdA:
3.2		 5kvaB-3cgdA:
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.
5N0S_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 4 GLY A 307
ALA A  16
MET A 314
THR A  30
 None
 1.36A 5n0sB-3cgdA:
undetectable		 5n0sB-3cgdA:
21.47
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		3 / 3 GLY A 162
THR A  55
PRO A  45
 None
None
FAD  A 446 ( 4.5A)
 0.65A 5v5zA-3cgdA:
undetectable		 5v5zA-3cgdA:
20.91
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.
6A93_A_8NUA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 12 SER A 241
ILE A 156
LEU A 142
PHE A 169
LEU A 172
 NAD  A 818 (-4.5A)
NAD  A 818 (-4.8A)
None
None
None
 1.07A 6a93A-3cgdA:
undetectable		 6a93A-3cgdA:
21.40
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.
6F7L_B_ACTB503_0
(AMINE OXIDASE LKCE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		3 / 3 VAL A  80
GLU A  79
ILE A   6
 FAD  A 446 ( 4.0A)
None
FAD  A 446 (-4.8A)
 0.63A 6f7lB-3cgdA:
11.7		 6f7lB-3cgdA:
22.30
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.
6HWD_K_BO2K301_0
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 11 ALA A  15
ALA A 280
ALA A 310
GLY A   8
GLY A   7
 None
None
None
None
FAD  A 446 (-3.1A)
 0.91A 6hwdK-3cgdA:
undetectable
6hwdL-3cgdA:
undetectable		 6hwdK-3cgdA:
11.83
6hwdL-3cgdA:
11.61
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.
6HWD_Y_BO2Y301_0
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		5 / 11 ALA A  15
ALA A 280
ALA A 310
GLY A   8
GLY A   7
 None
None
None
None
FAD  A 446 (-3.1A)
 0.91A 6hwdY-3cgdA:
undetectable
6hwdZ-3cgdA:
undetectable		 6hwdY-3cgdA:
11.83
6hwdZ-3cgdA:
11.61
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 6 TYR A 198
GLU A 195
ASP A 192
GLU A 344
 None
 1.23A 6mn5A-3cgdA:
undetectable		 6mn5A-3cgdA:
10.00
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 7 TYR A 198
GLU A 195
ASP A 192
GLU A 344
 None
 1.34A 6mn5B-3cgdA:
undetectable		 6mn5B-3cgdA:
10.00
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 6 TYR A 198
GLU A 195
ASP A 192
GLU A 344
 None
 1.35A 6mn5C-3cgdA:
undetectable		 6mn5C-3cgdA:
10.00