SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2jcb'

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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 HIS A  -1
HIS A   0
HIS A  -3
 None
 0.64A 1rkyA-2jcbA:
undetectable		 1rkyA-2jcbA:
11.66
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 HIS A  -1
HIS A   0
HIS A  -3
 None
 0.68A 2w0qA-2jcbA:
undetectable		 2w0qA-2jcbA:
13.95
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_C_CHDC153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 4 ILE A  12
THR A 181
LYS A 183
TYR A 129
 None
 1.02A 3elzC-2jcbA:
0.0		 3elzC-2jcbA:
21.46
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.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 HIS A  -1
HIS A   0
HIS A  -3
 None
 0.74A 3hiiA-2jcbA:
undetectable		 3hiiA-2jcbA:
12.70
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.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 HIS A  -1
HIS A   0
HIS A  -3
 None
 0.72A 3hiiB-2jcbA:
undetectable		 3hiiB-2jcbA:
12.70
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.
3NAI_A_URFA521_1
(RNA DEPENDENT RNA
POLYMERASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 5 ARG A   2
ASP A 144
ASP A 173
ARG A   9
 ADP  A1190 (-2.8A)
MG  A1192 ( 2.5A)
MG  A1192 ( 3.0A)
ADP  A1190 (-3.8A)
 1.35A 3naiA-2jcbA:
undetectable		 3naiA-2jcbA:
18.16
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.
3NAI_C_URFC521_1
(RNA DEPENDENT RNA
POLYMERASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 5 ARG A   2
ASP A 144
ASP A 173
ARG A   9
 ADP  A1190 (-2.8A)
MG  A1192 ( 2.5A)
MG  A1192 ( 3.0A)
ADP  A1190 (-3.8A)
 1.34A 3naiC-2jcbA:
undetectable		 3naiC-2jcbA:
18.16
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.
4A79_A_P1BA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  35
ILE A  47
ILE A  62
TYR A 143
TYR A 146
 None
None
None
PO4  A1191 (-4.7A)
None
 1.44A 4a79A-2jcbA:
undetectable		 4a79A-2jcbA:
17.27
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.
4A79_B_P1BB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A  35
ILE A  47
ILE A  62
TYR A 143
TYR A 146
 None
None
None
PO4  A1191 (-4.7A)
None
 1.43A 4a79B-2jcbA:
undetectable		 4a79B-2jcbA:
17.27
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 LEU A  35
ILE A  47
ILE A  62
TYR A 143
TYR A 146
 None
None
None
PO4  A1191 (-4.7A)
None
 1.49A 4a7aA-2jcbA:
undetectable		 4a7aA-2jcbA:
17.27
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 ARG A   2
ASP A 173
ARG A 135
ILE A 136
 ADP  A1190 (-2.8A)
MG  A1192 ( 3.0A)
PO4  A1191 (-3.1A)
ADP  A1190 ( 4.6A)
 1.36A 5a06A-2jcbA:
3.0		 5a06A-2jcbA:
19.08
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.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 LYS A  -4
HIS A   0
HIS A  -3
 None
 0.94A 5oexA-2jcbA:
undetectable		 5oexA-2jcbA:
16.89
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.
5OEX_A_CUA603_0
(THIOCYANATE
DEHYDROGENASE)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 4 LYS A  -4
HIS A   0
HIS A  -1
HIS A  -3
 None
 1.15A 5oexA-2jcbA:
0.0		 5oexA-2jcbA:
16.89
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		 2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 PRO A  61
ILE A  63
ILE A  62
THR A  50
ILE A  49
 None
 1.14A 6hlpA-2jcbA:
undetectable		 6hlpA-2jcbA:
16.98