SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ifa'

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.
1E6W_C_ESTC302_1
(SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 4 ALA A 112
GLN A  98
TYR A  96
LEU A 307
 None
 1.33A 1e6wC-4ifaA:
undetectable		 1e6wC-4ifaA:
21.18
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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 VAL A 116
TYR A  89
GLY A 113
TYR A 187
 CL  A 404 ( 3.9A)
None
None
None
 1.03A 1lweA-4ifaA:
undetectable		 1lweA-4ifaA:
20.32
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 TYR A 174
THR A 192
SER A 301
VAL A 304
 None
None
CL  A 401 (-3.7A)
None
 1.14A 1tv8A-4ifaA:
undetectable		 1tv8A-4ifaA:
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 8 TYR A 174
THR A 192
SER A 301
VAL A 304
 None
None
CL  A 401 (-3.7A)
None
 1.12A 2fb2A-4ifaA:
undetectable		 2fb2A-4ifaA:
20.36
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.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 TYR A 174
THR A 192
SER A 301
VAL A 304
 None
None
CL  A 401 (-3.7A)
None
 1.06A 2fb2B-4ifaA:
undetectable		 2fb2B-4ifaA:
20.36
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 GLN A 172
TYR A 110
TYR A 337
ILE A 229
 None
 1.26A 2ph9A-4ifaA:
undetectable
2ph9B-4ifaA:
undetectable		 2ph9A-4ifaA:
18.57
2ph9B-4ifaA:
18.57
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 TYR A 174
TYR A 110
TYR A 337
ILE A 229
 None
 0.87A 2ph9A-4ifaA:
undetectable
2ph9B-4ifaA:
undetectable		 2ph9A-4ifaA:
18.57
2ph9B-4ifaA:
18.57
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.
2XZ5_B_ACHB1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 VAL A 185
TYR A  96
TYR A 110
ILE A 123
 None
 1.29A 2xz5B-4ifaA:
undetectable
2xz5E-4ifaA:
undetectable		 2xz5B-4ifaA:
19.82
2xz5E-4ifaA:
19.82
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.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 8 ILE A 123
VAL A 185
TYR A  96
TYR A 110
 None
 1.26A 2xz5A-4ifaA:
undetectable
2xz5C-4ifaA:
undetectable		 2xz5A-4ifaA:
19.82
2xz5C-4ifaA:
19.82
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.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 8 ILE A 123
VAL A 185
TYR A  96
TYR A 110
 None
 1.26A 2xz5C-4ifaA:
undetectable
2xz5D-4ifaA:
undetectable		 2xz5C-4ifaA:
19.82
2xz5D-4ifaA:
19.82
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.
2XZ5_E_ACHE1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 ILE A 123
VAL A 185
TYR A  96
TYR A 110
 None
 1.27A 2xz5D-4ifaA:
undetectable
2xz5E-4ifaA:
undetectable		 2xz5D-4ifaA:
19.82
2xz5E-4ifaA:
19.82
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		5 / 11 MET A  59
PHE A  99
GLY A 100
PRO A  74
GLY A  72
 None
 1.47A 3v3nA-4ifaA:
undetectable		 3v3nA-4ifaA:
24.08
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.
4A6N_B_T1CB392_1
(TETX2 PROTEIN)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		5 / 11 MET A  59
PHE A  99
GLY A 100
PRO A  74
GLY A  72
 None
 1.29A 4a6nB-4ifaA:
undetectable		 4a6nB-4ifaA:
26.37
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.
4A6N_C_T1CC392_1
(TETX2 PROTEIN)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		5 / 11 MET A  59
PHE A  99
GLY A 100
PRO A  74
GLY A  72
 None
 1.30A 4a6nC-4ifaA:
undetectable		 4a6nC-4ifaA:
26.37
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 8 LEU A 328
SER A 259
VAL A 304
GLY A 303
 None
 1.00A 4klrB-4ifaA:
undetectable		 4klrB-4ifaA:
23.83
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 5 GLN A 250
THR A 338
LEU A 278
LEU A 282
 None
 1.06A 4lvcB-4ifaA:
undetectable		 4lvcB-4ifaA:
20.89
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.
4PCU_B_SAMB603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		5 / 9 LEU A 245
PHE A 341
VAL A 330
THR A 338
ILE A 296
 None
 1.46A 4pcuA-4ifaA:
undetectable
4pcuB-4ifaA:
undetectable		 4pcuA-4ifaA:
22.04
4pcuB-4ifaA:
22.04
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 6 VAL A 130
VAL A 185
ARG A 239
ILE A 235
 None
None
TRS  A 406 (-3.1A)
None
 0.80A 5jw1B-4ifaA:
undetectable		 5jw1B-4ifaA:
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.
5VVD_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		4 / 7 TRP A  87
TRP A  86
GLU A  85
VAL A 101
 None
 1.17A 5vvdA-4ifaA:
undetectable
5vvdB-4ifaA:
undetectable		 5vvdA-4ifaA:
20.75
5vvdB-4ifaA:
20.75
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN
(Bacillus
anthracis) 		5 / 12 LEU A 328
GLY A 327
PHE A 325
ALA A 252
VAL A 254
 None
 1.13A 5x66F-4ifaA:
undetectable		 5x66F-4ifaA:
22.16