SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dwi'

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.
1SBR_B_VIBB504_1
(YKOF)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  54
HIS A 161
LEU A 183
SER A 265
 None
None
None
PLP  A 401 (-2.6A)
 1.16A 1sbrA-3dwiA:
undetectable
1sbrB-3dwiA:
undetectable		 1sbrA-3dwiA:
20.74
1sbrB-3dwiA:
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 203
ILE A 205
LEU A 196
LEU A 173
LEU A 169
 None
 1.17A 2a15A-3dwiA:
undetectable		 2a15A-3dwiA:
19.31
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 THR A 188
ASN A  45
VAL A 269
ALA A 268
THR A 251
 PLP  A 401 (-3.7A)
None
None
None
None
 1.24A 2nniA-3dwiA:
undetectable		 2nniA-3dwiA:
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 292
GLN A 151
THR A 185
ILE A  50
ASP A 295
 None
None
PLP  A 401 (-3.2A)
None
PLP  A 401 (-3.2A)
 1.22A 2v95A-3dwiA:
undetectable		 2v95A-3dwiA:
22.22
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  37
GLY A 277
LEU A  22
ALA A 278
GLY A 267
 None
 1.15A 2vmyB-3dwiA:
undetectable		 2vmyB-3dwiA:
23.61
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.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 10 ILE A 260
TYR A 306
LEU A 270
VAL A 269
LEU A 291
 None
 1.45A 2w98A-3dwiA:
4.3		 2w98A-3dwiA:
21.54
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.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 132
ALA A 136
ALA A 134
GLN A 151
 None
 0.90A 3a2qA-3dwiA:
undetectable		 3a2qA-3dwiA:
22.74
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.
3ELZ_B_CHDB200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 5 PRO A  15
VAL A  17
GLY A 297
LYS A 299
 None
 1.13A 3elzB-3dwiA:
undetectable		 3elzB-3dwiA:
19.20
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 7 THR A 266
GLY A 263
GLY A  48
THR A  47
 None
 0.83A 3tajA-3dwiA:
undetectable		 3tajA-3dwiA:
25.65
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 8 ILE A 120
GLU A 114
ILE A  84
LEU A 115
 None
 0.94A 4mj8A-3dwiA:
undetectable		 4mj8A-3dwiA:
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.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 156
ALA A  90
ILE A  59
ASN A  45
LEU A  11
 None
 1.12A 4r38B-3dwiA:
undetectable		 4r38B-3dwiA:
19.44
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 274
GLY A  18
LEU A  16
ARG A 250
LEU A 291
 None
 1.45A 5emlA-3dwiA:
3.4		 5emlA-3dwiA:
18.15
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.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 291
LEU A 189
GLY A 267
ALA A 268
SER A 265
 None
None
None
None
PLP  A 401 (-2.6A)
 1.01A 5ikrB-3dwiA:
undetectable		 5ikrB-3dwiA:
19.29
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.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 8 SER A  49
THR A  82
SER A  85
SER A 160
 PLP  A 401 ( 4.4A)
None
None
None
 0.99A 5l4eA-3dwiA:
undetectable
5l4eB-3dwiA:
undetectable
5l4eC-3dwiA:
undetectable
5l4eD-3dwiA:
undetectable
5l4eE-3dwiA:
undetectable		 5l4eA-3dwiA:
23.38
5l4eB-3dwiA:
23.38
5l4eC-3dwiA:
23.38
5l4eD-3dwiA:
23.38
5l4eE-3dwiA:
23.38
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.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 8 SER A 160
SER A  49
THR A  82
SER A  85
 None
PLP  A 401 ( 4.4A)
None
None
 1.00A 5l4eA-3dwiA:
undetectable
5l4eB-3dwiA:
undetectable
5l4eC-3dwiA:
undetectable
5l4eD-3dwiA:
undetectable
5l4eE-3dwiA:
undetectable		 5l4eA-3dwiA:
23.38
5l4eB-3dwiA:
23.38
5l4eC-3dwiA:
23.38
5l4eD-3dwiA:
23.38
5l4eE-3dwiA:
23.38
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 7 ARG A  25
ALA A 278
ILE A 289
LEU A  37
 None
 0.78A 5te8C-3dwiA:
undetectable		 5te8C-3dwiA:
21.75
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.
5U6N_B_SALB504_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		4 / 6 SER A 160
HIS A 161
MET A  58
THR A  82
 None
 1.49A 5u6nB-3dwiA:
undetectable		 5u6nB-3dwiA:
20.09
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 281
GLY A 279
LEU A 274
GLY A 275
GLY A 277
 None
 1.10A 5wyqA-3dwiA:
undetectable		 5wyqA-3dwiA:
24.15
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 281
GLY A 279
LEU A 274
GLY A 277
PRO A  24
 None
 1.02A 5wyqA-3dwiA:
undetectable		 5wyqA-3dwiA:
24.15
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		6 / 12 LEU A 281
GLY A 279
LEU A 274
GLY A 275
GLY A 277
PRO A  24
 None
 1.18A 5wyqB-3dwiA:
undetectable		 5wyqB-3dwiA:
24.15
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 246
LEU A 236
LEU A 183
THR A 237
GLY A 275
 SO4  A 324 (-4.0A)
None
None
None
None
 1.15A 6b0lB-3dwiA:
undetectable		 6b0lB-3dwiA:
12.81
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.
6GNF_A_QPSA602_2
(-)		 3dwi CYSTEINE SYNTHASE B
(Mycobacterium
tuberculosis) 		5 / 9 THR A 188
GLY A 191
GLY A 193
VAL A 203
GLU A 168
 PLP  A 401 (-3.7A)
None
None
None
None
 1.41A 6gnfA-3dwiA:
3.1		 6gnfA-3dwiA:
21.56