SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wwh'

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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ASP A 277
ASP A 248
TYR A 358
THR A 294
 GAL  A 401 (-2.8A)
None
TRS  A 402 (-2.9A)
None
 1.48A 1ceaA-4wwhA:
undetectable
1ceaB-4wwhA:
undetectable		 1ceaA-4wwhA:
12.86
1ceaB-4wwhA:
12.86
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.
1I7Z_C_COCC302_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 279
TYR A 247
PRO A 246
ASP A 248
 None
GAL  A 401 ( 3.8A)
None
None
 1.44A 1i7zD-4wwhA:
undetectable		 1i7zD-4wwhA:
22.88
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.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 132
ILE A 123
ILE A 129
VAL A  41
PRO A 121
 None
 1.12A 1vq1A-4wwhA:
3.2		 1vq1A-4wwhA:
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.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 11 GLY A 249
SER A 251
SER A 245
LEU A 222
ASP A  78
 None
 1.12A 2c2bE-4wwhA:
undetectable
2c2bF-4wwhA:
1.7		 2c2bE-4wwhA:
22.71
2c2bF-4wwhA:
22.71
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.
2C7V_C_MTXC1272_1
(PTERIDINE REDUCTASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 SER A 282
PRO A 246
LEU A 258
MET A 227
GLU A 170
 None
 1.36A 2c7vC-4wwhA:
4.2		 2c7vC-4wwhA:
23.18
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 149
ASP A 156
VAL A 155
PHE A 185
VAL A 191
 None
 1.31A 2g70A-4wwhA:
undetectable		 2g70A-4wwhA:
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.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 149
ASP A 156
VAL A 155
PHE A 185
VAL A 191
 None
 1.32A 2g70B-4wwhA:
undetectable		 2g70B-4wwhA:
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 149
ASP A 156
VAL A 155
PHE A 185
VAL A 191
 None
 1.30A 2g72A-4wwhA:
undetectable		 2g72A-4wwhA:
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ALA A 181
TRP A 218
LEU A 216
ALA A 173
 None
GAL  A 401 (-3.6A)
None
None
 1.22A 2jstA-4wwhA:
undetectable
2jstB-4wwhA:
undetectable		 2jstA-4wwhA:
11.71
2jstB-4wwhA:
11.71
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 5 PRO A  46
ALA A 101
ASP A  78
ASP A 178
 None
None
None
GAL  A 401 (-2.8A)
 1.21A 2nyuB-4wwhA:
4.4		 2nyuB-4wwhA:
20.66
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLY A 187
ALA A 188
MET A 189
LEU A 192
 None
 0.59A 2wekB-4wwhA:
undetectable		 2wekB-4wwhA:
22.14
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.
3BMC_C_FOLC270_0
(PTERIDINE REDUCTASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 SER A 282
PRO A 246
LEU A 258
MET A 227
GLU A 170
 None
 1.20A 3bmcC-4wwhA:
6.2		 3bmcC-4wwhA:
25.96
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.
4Y9T_A_PA1A401_1
(ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASP A 277
ASP A 126
ARG A 127
ASP A 178
TRP A 218
 GAL  A 401 (-2.8A)
GAL  A 401 (-3.0A)
GAL  A 401 (-4.0A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.6A)
 1.08A 4y9tA-4wwhA:
34.0		 4y9tA-4wwhA:
27.72
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 174
TYR A 247
SER A 245
ASP A 178
ALA A 181
 None
GAL  A 401 ( 3.8A)
None
GAL  A 401 (-2.8A)
None
 1.16A 4ymgB-4wwhA:
undetectable		 4ymgB-4wwhA:
20.60
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLY A 187
THR A 144
SER A 190
VAL A 148
 None
 1.14A 5ewuA-4wwhA:
undetectable		 5ewuA-4wwhA:
21.63
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 6 PHE A 172
LEU A 244
SER A 251
GLY A 275
 None
 1.00A 5o4yF-4wwhA:
undetectable		 5o4yF-4wwhA:
3.69
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLN A 224
GLY A 220
GLN A 150
ASP A 248
 None
 1.09A 5vlmE-4wwhA:
undetectable		 5vlmE-4wwhA:
20.33
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		6 / 12 PRO A 121
ILE A  43
VAL A  95
LEU A  73
PHE A  64
MET A  90
 None
 1.46A 6b52A-4wwhA:
undetectable		 6b52A-4wwhA:
20.41
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 275
GLN A 276
TYR A 358
LEU A 353
ILE A 286
 None
GAL  A 401 ( 3.9A)
TRS  A 402 (-2.9A)
None
None
 1.47A 6md4A-4wwhA:
undetectable		 6md4A-4wwhA:
13.28