SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kw3'

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.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 GLY A 299
ILE A 283
VAL A 336
ILE A 339
ILE A 319
 None
 0.82A 1hshA-3kw3A:
undetectable		 1hshA-3kw3A:
14.21
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.
1P91_B_SAMB2401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 GLY A  54
GLY A  52
TYR A  51
TYR A 232
ILE A  26
 None
None
LLP  A  47 ( 4.6A)
None
None
 0.91A 1p91B-3kw3A:
undetectable		 1p91B-3kw3A:
21.56
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.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		6 / 12 ILE A 285
SER A 284
ILE A 283
LEU A 338
VAL A 321
ILE A  18
 None
 1.46A 2nnhA-3kw3A:
undetectable		 2nnhA-3kw3A:
22.94
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.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 GLY A 299
ILE A 283
VAL A 336
ILE A 339
ILE A 319
 None
 0.87A 2rkgA-3kw3A:
undetectable		 2rkgA-3kw3A:
15.32
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.
2RKG_B_AB1B501_2
(PROTEASE RETROPEPSIN)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 GLY A 299
ILE A 283
VAL A 336
ILE A 339
ILE A 319
 None
 0.88A 2rkgB-3kw3A:
undetectable		 2rkgB-3kw3A:
15.32
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.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 GLY A  66
CYH A  67
LEU A  81
LEU A 231
TYR A 232
 None
 1.32A 3cs8A-3kw3A:
undetectable		 3cs8A-3kw3A:
22.57
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 THR A 282
ALA A 281
SER A 296
GLY A 312
SER A 318
 None
 1.18A 3mg02-3kw3A:
undetectable
3mg0V-3kw3A:
undetectable		 3mg02-3kw3A:
21.65
3mg0V-3kw3A:
21.37
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.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 11 THR A 282
ALA A 281
SER A 296
GLY A 312
SER A 318
 None
 1.17A 3mg0N-3kw3A:
undetectable		 3mg0N-3kw3A:
21.65
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.
4M48_A_21BA704_1
(TRANSPORTER)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		4 / 8 PHE A 215
VAL A 225
TYR A 221
GLY A 213
 None
 0.92A 4m48A-3kw3A:
undetectable		 4m48A-3kw3A:
21.21
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.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		4 / 7 LEU A 345
LEU A  53
ILE A  26
ASP A  22
 None
 0.79A 4rmjA-3kw3A:
undetectable		 4rmjA-3kw3A:
20.84
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.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		4 / 7 THR A  69
ALA A  92
LEU A 113
LEU A 114
 None
 0.73A 4ubsA-3kw3A:
undetectable		 4ubsA-3kw3A:
22.87
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		3 / 3 ASN A 178
SER A 186
SER A 185
 None
 0.63A 5gsnA-3kw3A:
1.1		 5gsnA-3kw3A:
22.03
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 ALA A 252
ILE A 339
GLY A 299
LEU A 308
ILE A 283
 None
 1.05A 5m24A-3kw3A:
undetectable		 5m24A-3kw3A:
21.98
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.
5T8H_B_478B401_2
(PROTEASE)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 GLY A 299
ILE A 283
VAL A 336
ILE A 339
ILE A 319
 None
 0.82A 5t8hB-3kw3A:
undetectable		 5t8hB-3kw3A:
14.21
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.
6A7P_A_9SCA601_0
(SERUM ALBUMIN)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 12 LEU A 173
LEU A  85
CYH A 204
LEU A 224
ARG A 226
 None
None
None
None
LLP  A  47 ( 3.9A)
 1.16A 6a7pA-3kw3A:
undetectable		 6a7pA-3kw3A:
20.23
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.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 3kw3 ALANINE RACEMASE
(Bartonella
henselae) 		5 / 11 LEU A 157
GLY A 148
PHE A 164
ILE A 169
ILE A 172
 None
 1.07A 6gp2B-3kw3A:
undetectable		 6gp2B-3kw3A:
11.70