SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gwf'

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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 10 GLY A 185
VAL A 183
ILE A 194
TYR A 336
GLY A 187
 NAP  A 542 (-3.2A)
None
None
None
NAP  A 542 (-3.6A)
 0.96A 1fohA-3gwfA:
8.0		 1fohA-3gwfA:
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.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 10 GLY A 185
VAL A 183
ILE A 194
TYR A 336
GLY A 187
 NAP  A 542 (-3.2A)
None
None
None
NAP  A 542 (-3.6A)
 0.97A 1fohB-3gwfA:
7.6		 1fohB-3gwfA:
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.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 10 GLY A 185
VAL A 183
ILE A 194
TYR A 336
GLY A 187
 NAP  A 542 (-3.2A)
None
None
None
NAP  A 542 (-3.6A)
 0.96A 1fohC-3gwfA:
7.3		 1fohC-3gwfA:
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 10 GLY A 185
VAL A 183
ILE A 194
TYR A 336
GLY A 187
 NAP  A 542 (-3.2A)
None
None
None
NAP  A 542 (-3.6A)
 0.95A 1fohD-3gwfA:
7.3		 1fohD-3gwfA:
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.
1ONI_C_BEZC505_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 6 TYR A  92
PRO A 438
GLU A 442
ARG A  66
 None
 1.46A 1oniA-3gwfA:
undetectable
1oniC-3gwfA:
undetectable		 1oniA-3gwfA:
15.24
1oniC-3gwfA:
15.24
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 8 PHE A 530
LEU A 414
TRP A 447
THR A 466
 None
 1.10A 1rmtD-3gwfA:
undetectable		 1rmtD-3gwfA:
16.36
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.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 12 THR A  47
TYR A  49
ILE A  14
GLY A  15
GLY A  17
 FAD  A 541 (-3.7A)
None
FAD  A 541 (-4.8A)
FAD  A 541 (-3.3A)
FAD  A 541 (-3.4A)
 0.98A 2fk8A-3gwfA:
undetectable		 2fk8A-3gwfA:
20.83
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.
2XDC_D_DVAD8_0
(GRAMICIDIN A)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 TRP A 124
VAL A  13
TRP A 424
 None
 0.89A 2xdcC-3gwfA:
undetectable
2xdcD-3gwfA:
undetectable		 2xdcC-3gwfA:
8.80
2xdcD-3gwfA:
8.80
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.
2Y5M_F_DVAF8_0
(VAL-GRAMICIDIN A)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 TRP A 124
VAL A  13
TRP A 424
 None
 0.91A 2y5mE-3gwfA:
undetectable
2y5mF-3gwfA:
undetectable		 2y5mE-3gwfA:
8.80
2y5mF-3gwfA:
8.80
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 8 VAL A 206
GLY A 187
THR A 186
GLY A 381
ALA A 379
 None
NAP  A 542 (-3.6A)
NAP  A 542 (-4.2A)
NAP  A 542 (-3.2A)
None
 1.44A 3aruA-3gwfA:
undetectable		 3aruA-3gwfA:
22.82
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 GLY A 190
PRO A  54
LEU A 197
 None
 0.49A 3hcpB-3gwfA:
undetectable		 3hcpB-3gwfA:
20.73
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.
3NBQ_A_URFA400_1
(URIDINE
PHOSPHORYLASE 1)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 9 THR A  35
GLY A  32
LEU A  27
LEU A  31
ILE A 452
 None
 1.40A 3nbqA-3gwfA:
undetectable		 3nbqA-3gwfA:
22.06
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.
3NBQ_D_URFD400_1
(URIDINE
PHOSPHORYLASE 1)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 9 THR A  35
GLY A  32
LEU A  27
LEU A  31
ILE A 452
 None
 1.44A 3nbqD-3gwfA:
undetectable		 3nbqD-3gwfA:
22.06
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.
3POC_B_ACRB665_1
(ALPHA-GLUCOSIDASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 6 LYS A 231
ASP A 233
TYR A 234
ASP A 235
 None
 1.03A 3pocB-3gwfA:
undetectable		 3pocB-3gwfA:
20.85
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.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 5 SER A 440
THR A 435
GLU A 442
ASP A  70
 None
 1.22A 3tm4A-3gwfA:
3.4		 3tm4A-3gwfA:
22.24
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.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 5 SER A 440
THR A 435
GLU A 442
ASP A  70
 None
 1.21A 3tm4B-3gwfA:
3.5		 3tm4B-3gwfA:
22.24
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.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 7 ALA A 148
ILE A 149
HIS A 166
GLY A 381
 None
None
None
NAP  A 542 (-3.2A)
 0.98A 3v4tH-3gwfA:
undetectable		 3v4tH-3gwfA:
22.78
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.
3ZQ8_B_DVAB8_0
(VAL-GRAMICIDIN A)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 TRP A 124
VAL A  13
TRP A 424
 None
 1.27A 3zq8A-3gwfA:
undetectable
3zq8B-3gwfA:
undetectable		 3zq8A-3gwfA:
8.80
3zq8B-3gwfA:
8.80
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 7 VAL A 143
ILE A 392
ILE A 394
ALA A 115
 FAD  A 541 (-3.8A)
FAD  A 541 (-4.5A)
None
None
 0.78A 4lv9A-3gwfA:
undetectable		 4lv9A-3gwfA:
20.99
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.
4MME_A_29QA603_1
(TRANSPORTER)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 9 ASP A  59
VAL A 246
ALA A 247
GLY A 277
GLY A 249
 NAP  A 542 ( 3.0A)
None
None
None
None
 1.38A 4mmeA-3gwfA:
undetectable		 4mmeA-3gwfA:
24.11
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.
4MMF_B_29QB603_1
(TRANSPORTER)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 9 ASP A  59
VAL A 246
ALA A 247
GLY A 277
GLY A 249
 NAP  A 542 ( 3.0A)
None
None
None
None
 1.37A 4mmfB-3gwfA:
undetectable		 4mmfB-3gwfA:
23.99
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 12 ASN A  51
GLY A 190
SER A 188
ILE A 184
GLY A 182
 FAD  A 541 (-4.1A)
None
NAP  A 542 (-2.9A)
NAP  A 542 (-4.7A)
None
 1.21A 4obwC-3gwfA:
2.5		 4obwC-3gwfA:
17.77
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 SER A  77
GLU A 442
GLU A  30
 None
 0.75A 4ymgB-3gwfA:
undetectable		 4ymgB-3gwfA:
18.04
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 ASP A  95
ARG A  99
TYR A  92
 None
 0.91A 5a7mA-3gwfA:
undetectable		 5a7mA-3gwfA:
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.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		3 / 3 ASP A  95
ARG A  99
TYR A  92
 None
 0.90A 5a7mB-3gwfA:
undetectable		 5a7mB-3gwfA:
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 12 GLU A 252
LEU A  74
ASP A 235
ALA A 241
SER A 244
 None
 1.29A 5hnzB-3gwfA:
undetectable		 5hnzB-3gwfA:
22.18
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.
5O96_F_SAMF501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 10 PRO A 410
GLY A 415
GLY A 429
VAL A 505
LEU A 506
 None
 1.02A 5o96E-3gwfA:
undetectable
5o96F-3gwfA:
undetectable		 5o96E-3gwfA:
18.20
5o96F-3gwfA:
18.20
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 7 ARG A  66
SER A  77
LEU A  73
ILE A  21
 None
 0.79A 5te8C-3gwfA:
undetectable		 5te8C-3gwfA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GQI_A_ACTA604_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 6 PRO A 216
TRP A 273
ILE A 310
GLY A 335
TYR A 337
 None
 0.33A 6gqiA-3gwfA:
46.9		 6gqiA-3gwfA:
62.22