SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3eqq'

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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 6 HIS B 111
LEU B  37
TRP B  45
VAL B 135
None
1.32A 1ibgH-3eqqB:
undetectable
1ibgH-3eqqB:
20.45
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.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 8 ASP B  83
GLY A 231
GLY A 369
GLN A 374
None
0.84A 1jr1B-3eqqB:
undetectable
1jr1B-3eqqB:
16.09
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.
1L5Q_B_CFFB1864_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 TRP A 443
HIS A 433
MET A 437
None
1.16A 1l5qB-3eqqA:
undetectable
1l5qB-3eqqA:
19.12
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.
1MOG_A_RBFA200_1
(DODECIN)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
3 / 3 PHE B  46
TRP B  45
GLU B  33
None
1.06A 1mogA-3eqqB:
0.9
1mogA-3eqqB:
20.83
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.
1NSI_D_H4BD603_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 6 PHE B 164
GLU B  27
ARG B 157
ILE B 129
None
FE2  B 188 ( 4.7A)
None
None
1.11A 1nsiC-3eqqB:
undetectable
1nsiD-3eqqB:
undetectable
1nsiC-3eqqB:
17.86
1nsiD-3eqqB:
17.86
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.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.00A 1v55C-3eqqA:
undetectable
1v55N-3eqqA:
undetectable
1v55P-3eqqA:
undetectable
1v55C-3eqqA:
18.97
1v55N-3eqqA:
21.73
1v55P-3eqqA:
18.97
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.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
5 / 12 PHE B  46
LEU B  37
HIS B 111
ILE B  95
SER B 184
None
1.00A 2bxqA-3eqqB:
undetectable
2bxqA-3eqqB:
13.40
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 ARG A 364
GLY A 278
PRO A 279
None
0.69A 2hreD-3eqqA:
undetectable
2hreD-3eqqA:
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.
2J9D_A_ACTA1117_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 ASP A  38
ARG A 393
ARG A  34
None
1.00A 2j9dA-3eqqA:
undetectable
2j9dC-3eqqA:
undetectable
2j9dA-3eqqA:
13.33
2j9dC-3eqqA:
13.33
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.
2ROX_B_T44B128_1
(TRANSTHYRETIN)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 6 LYS A 293
GLU A 292
ALA A 294
THR A 190
None
0.93A 2roxB-3eqqA:
undetectable
2roxB-3eqqA:
14.82
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.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 11 ASP A 410
VAL A 412
PHE A 181
SER A 300
PHE A 265
None
1.47A 2y04A-3eqqA:
undetectable
2y04A-3eqqA:
20.86
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.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
0.93A 2y69C-3eqqA:
undetectable
2y69N-3eqqA:
undetectable
2y69P-3eqqA:
undetectable
2y69C-3eqqA:
18.97
2y69N-3eqqA:
21.73
2y69P-3eqqA:
18.97
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.08A 3ablA-3eqqA:
undetectable
3ablC-3eqqA:
undetectable
3ablP-3eqqA:
undetectable
3ablA-3eqqA:
21.73
3ablC-3eqqA:
18.97
3ablP-3eqqA:
18.97
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.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.00A 3ablC-3eqqA:
undetectable
3ablN-3eqqA:
undetectable
3ablP-3eqqA:
undetectable
3ablC-3eqqA:
18.97
3ablN-3eqqA:
21.73
3ablP-3eqqA:
18.97
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.00A 3abmA-3eqqA:
undetectable
3abmC-3eqqA:
undetectable
3abmP-3eqqA:
undetectable
3abmA-3eqqA:
21.73
3abmC-3eqqA:
18.97
3abmP-3eqqA:
18.97
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.03A 3asnC-3eqqA:
undetectable
3asnN-3eqqA:
undetectable
3asnP-3eqqA:
undetectable
3asnC-3eqqA:
18.97
3asnN-3eqqA:
21.73
3asnP-3eqqA:
18.97
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.01A 3asoA-3eqqA:
undetectable
3asoC-3eqqA:
undetectable
3asoP-3eqqA:
undetectable
3asoA-3eqqA:
21.73
3asoC-3eqqA:
18.97
3asoP-3eqqA:
18.97
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.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.03A 3asoC-3eqqA:
undetectable
3asoN-3eqqA:
undetectable
3asoP-3eqqA:
undetectable
3asoC-3eqqA:
18.97
3asoN-3eqqA:
21.73
3asoP-3eqqA:
18.97
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 5 VAL A  81
VAL A  82
THR A 156
THR A  71
None
1.16A 3bjwA-3eqqA:
undetectable
3bjwA-3eqqA:
12.99
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.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 5 VAL A  81
VAL A  82
THR A 156
THR A  71
None
1.09A 3bjwG-3eqqA:
undetectable
3bjwG-3eqqA:
12.99
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 5 VAL A  81
VAL A  82
THR A 156
THR A  71
None
1.09A 3bjwC-3eqqA:
undetectable
3bjwC-3eqqA:
12.99
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida;
Pseudomonas
putida)
5 / 11 ALA B 180
GLY A 377
ILE B 178
LEU B 183
ALA A 368
None
0.96A 3dcmX-3eqqB:
undetectable
3dcmX-3eqqB:
21.36
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
3 / 3 TYR B  55
ASP B 153
HIS B 111
None
0.74A 3e23A-3eqqB:
undetectable
3e23A-3eqqB:
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 TYR A  36
LEU A  41
LEU A  23
ASP A  32
None
0.97A 3lm8A-3eqqA:
undetectable
3lm8C-3eqqA:
undetectable
3lm8A-3eqqA:
20.75
3lm8C-3eqqA:
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.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  32
TYR A  36
LEU A  41
LEU A  23
None
0.85A 3lm8B-3eqqA:
undetectable
3lm8D-3eqqA:
undetectable
3lm8B-3eqqA:
20.75
3lm8D-3eqqA:
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.
3OKX_B_SAMB201_0
(YAEB-LIKE PROTEIN
RPA0152)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 LYS A  15
ARG A  48
LYS A 210
None
1.46A 3okxA-3eqqA:
undetectable
3okxA-3eqqA:
17.11
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.95A 3wg7A-3eqqA:
undetectable
3wg7C-3eqqA:
undetectable
3wg7P-3eqqA:
undetectable
3wg7A-3eqqA:
21.73
3wg7C-3eqqA:
18.97
3wg7P-3eqqA:
18.97
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.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
0.98A 3wg7C-3eqqA:
undetectable
3wg7N-3eqqA:
undetectable
3wg7P-3eqqA:
undetectable
3wg7C-3eqqA:
18.97
3wg7N-3eqqA:
21.73
3wg7P-3eqqA:
18.97
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.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.97A 3x2qA-3eqqA:
undetectable
3x2qC-3eqqA:
undetectable
3x2qP-3eqqA:
undetectable
3x2qA-3eqqA:
21.73
3x2qC-3eqqA:
18.97
3x2qP-3eqqA:
18.97
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.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.00A 3x2qC-3eqqA:
undetectable
3x2qN-3eqqA:
undetectable
3x2qP-3eqqA:
undetectable
3x2qC-3eqqA:
18.97
3x2qN-3eqqA:
21.73
3x2qP-3eqqA:
18.97
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 12 GLN A  84
ALA A 126
ASN A 128
ILE A 103
VAL A  80
None
1.25A 4azsA-3eqqA:
undetectable
4azsA-3eqqA:
21.17
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.
4CX7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 8 PHE B 164
GLU B  27
ARG B 157
ILE B 129
None
FE2  B 188 ( 4.7A)
None
None
1.16A 4cx7A-3eqqB:
undetectable
4cx7B-3eqqB:
undetectable
4cx7A-3eqqB:
17.86
4cx7B-3eqqB:
17.86
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.
4CX7_C_H4BC600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 8 ARG B 157
ILE B 129
PHE B 164
GLU B  27
None
None
None
FE2  B 188 ( 4.7A)
1.19A 4cx7C-3eqqB:
undetectable
4cx7D-3eqqB:
undetectable
4cx7C-3eqqB:
17.86
4cx7D-3eqqB:
17.86
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.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 7 PHE B 164
GLU B  27
ARG B 157
ILE B 129
None
FE2  B 188 ( 4.7A)
None
None
1.17A 4cx7C-3eqqB:
undetectable
4cx7D-3eqqB:
undetectable
4cx7C-3eqqB:
17.86
4cx7D-3eqqB:
17.86
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASN A 419
ILE A 417
ASN A 409
ASP A 408
None
1.12A 4d33A-3eqqA:
undetectable
4d33A-3eqqA:
21.24
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 ASN A 419
ILE A 417
ASN A 409
ASP A 408
None
1.13A 4d33B-3eqqA:
undetectable
4d33B-3eqqA:
21.24
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.
4D39_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASN A 419
ILE A 417
ASN A 409
ASP A 408
None
1.10A 4d39A-3eqqA:
undetectable
4d39A-3eqqA:
21.24
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 7 VAL A 371
PHE B  46
GLY B  90
PHE B 186
None
1.02A 4ejjB-3eqqA:
undetectable
4ejjB-3eqqA:
22.42
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.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 PHE A 315
VAL A  49
GLU A  45
None
0.76A 4fvqA-3eqqA:
undetectable
4fvqA-3eqqA:
19.19
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
5 / 12 ILE B 129
PHE B  81
LEU B 183
TYR B  55
HIS B 111
None
1.08A 4j03A-3eqqB:
undetectable
4j03A-3eqqB:
15.29
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.
4LL3_A_017A202_2
(PROTEASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 9 ARG A  83
ALA A 108
ASP A 107
GLY A 199
ILE A  70
None
1.17A 4ll3B-3eqqA:
undetectable
4ll3B-3eqqA:
14.42
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.
4QWP_A_GCSA301_1
(CHITOSANASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 TYR A 254
GLY A 415
PRO A 414
None
0.70A 4qwpA-3eqqA:
undetectable
4qwpA-3eqqA:
21.16
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.
4QWP_B_GCSB305_1
(CHITOSANASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 GLY A 334
PRO A 335
GLN A 384
None
0.53A 4qwpB-3eqqA:
undetectable
4qwpB-3eqqA:
21.16
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.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
4 / 7 VAL A 340
TRP A 341
TRP A 203
HIS B  80
None
1.46A 5ad9A-3eqqA:
undetectable
5ad9B-3eqqA:
undetectable
5ad9A-3eqqA:
21.78
5ad9B-3eqqA:
21.78
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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.96A 5b1aA-3eqqA:
undetectable
5b1aC-3eqqA:
undetectable
5b1aP-3eqqA:
undetectable
5b1aA-3eqqA:
21.73
5b1aC-3eqqA:
18.97
5b1aP-3eqqA:
18.97
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.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.08A 5b1bA-3eqqA:
undetectable
5b1bC-3eqqA:
undetectable
5b1bP-3eqqA:
undetectable
5b1bA-3eqqA:
21.73
5b1bC-3eqqA:
18.97
5b1bP-3eqqA:
18.97
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.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.97A 5b3sA-3eqqA:
undetectable
5b3sC-3eqqA:
undetectable
5b3sP-3eqqA:
undetectable
5b3sA-3eqqA:
21.73
5b3sC-3eqqA:
18.97
5b3sP-3eqqA:
18.97
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.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida)
3 / 3 LEU B 172
PHE B 133
ILE B 173
None
0.66A 5dzk1-3eqqB:
undetectable
5dzkF-3eqqB:
undetectable
5dzkM-3eqqB:
undetectable
5dzk1-3eqqB:
5.41
5dzkF-3eqqB:
23.32
5dzkM-3eqqB:
22.33
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 LEU A 307
TYR A 413
SER A 300
None
0.90A 5iktA-3eqqA:
undetectable
5iktA-3eqqA:
21.49
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.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.02A 5iy5C-3eqqA:
undetectable
5iy5N-3eqqA:
undetectable
5iy5P-3eqqA:
undetectable
5iy5C-3eqqA:
18.79
5iy5N-3eqqA:
21.73
5iy5P-3eqqA:
18.79
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 GLU A  45
PRO A 332
GLY A 334
PRO A 335
None
1.01A 5kgpA-3eqqA:
undetectable
5kgpA-3eqqA:
21.29
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 GLU A  45
PRO A 332
GLY A 334
PRO A 335
None
1.01A 5kgpB-3eqqA:
undetectable
5kgpB-3eqqA:
21.29
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.
5OG9_B_TESB502_1
(-)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 12 VAL A  79
LEU A  93
LEU A  46
ALA A 152
LEU A  55
None
1.13A 5og9B-3eqqA:
undetectable
5og9B-3eqqA:
23.43
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.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida;
Pseudomonas
putida)
3 / 3 HIS A 228
SER A 230
LYS B  94
None
1.29A 5os7A-3eqqA:
undetectable
5os7A-3eqqA:
18.90
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.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
3 / 3 GLY A 304
LEU A 298
HIS A 185
None
0.69A 5u63A-3eqqA:
undetectable
5u63A-3eqqA:
21.35
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.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.93A 5w97A-3eqqA:
undetectable
5w97C-3eqqA:
undetectable
5w97c-3eqqA:
undetectable
5w97A-3eqqA:
21.73
5w97C-3eqqA:
18.97
5w97c-3eqqA:
18.97
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
0.96A 5w97C-3eqqA:
undetectable
5w97a-3eqqA:
undetectable
5w97c-3eqqA:
undetectable
5w97C-3eqqA:
18.97
5w97a-3eqqA:
21.73
5w97c-3eqqA:
18.97
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.93A 5wauA-3eqqA:
undetectable
5wauC-3eqqA:
undetectable
5wauc-3eqqA:
undetectable
5wauA-3eqqA:
21.73
5wauC-3eqqA:
18.97
5wauc-3eqqA:
18.97
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.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
0.98A 5wauC-3eqqA:
undetectable
5waua-3eqqA:
undetectable
5wauc-3eqqA:
undetectable
5wauC-3eqqA:
18.97
5waua-3eqqA:
21.73
5wauc-3eqqA:
18.97
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.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.04A 5x19A-3eqqA:
undetectable
5x19C-3eqqA:
undetectable
5x19P-3eqqA:
undetectable
5x19A-3eqqA:
21.73
5x19C-3eqqA:
18.97
5x19P-3eqqA:
18.97
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.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.10A 5x1bA-3eqqA:
undetectable
5x1bC-3eqqA:
undetectable
5x1bP-3eqqA:
undetectable
5x1bA-3eqqA:
21.73
5x1bC-3eqqA:
18.97
5x1bP-3eqqA:
18.97
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.04A 5x1fA-3eqqA:
undetectable
5x1fC-3eqqA:
undetectable
5x1fP-3eqqA:
undetectable
5x1fA-3eqqA:
21.73
5x1fC-3eqqA:
18.97
5x1fP-3eqqA:
18.97
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.97A 5xdqA-3eqqA:
undetectable
5xdqC-3eqqA:
undetectable
5xdqP-3eqqA:
undetectable
5xdqA-3eqqA:
21.73
5xdqC-3eqqA:
18.97
5xdqP-3eqqA:
18.97
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.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
0.99A 5xdqC-3eqqA:
undetectable
5xdqN-3eqqA:
undetectable
5xdqP-3eqqA:
undetectable
5xdqC-3eqqA:
18.97
5xdqN-3eqqA:
21.73
5xdqP-3eqqA:
18.97
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.02A 5xdxC-3eqqA:
undetectable
5xdxN-3eqqA:
undetectable
5xdxP-3eqqA:
undetectable
5xdxC-3eqqA:
18.79
5xdxN-3eqqA:
21.73
5xdxP-3eqqA:
18.79
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 11 ALA A 350
VAL A 309
ILE A 324
ASN A 325
THR A 326
None
0.98A 5y80A-3eqqA:
undetectable
5y80A-3eqqA:
10.67
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.95A 5z84A-3eqqA:
undetectable
5z84C-3eqqA:
undetectable
5z84P-3eqqA:
undetectable
5z84A-3eqqA:
21.73
5z84C-3eqqA:
18.97
5z84P-3eqqA:
18.97
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.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.00A 5z84C-3eqqA:
undetectable
5z84N-3eqqA:
undetectable
5z84P-3eqqA:
undetectable
5z84C-3eqqA:
18.97
5z84N-3eqqA:
21.73
5z84P-3eqqA:
18.97
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.93A 5z85A-3eqqA:
undetectable
5z85C-3eqqA:
undetectable
5z85P-3eqqA:
undetectable
5z85A-3eqqA:
21.73
5z85C-3eqqA:
18.97
5z85P-3eqqA:
18.97
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.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.01A 5z85C-3eqqA:
undetectable
5z85N-3eqqA:
undetectable
5z85P-3eqqA:
undetectable
5z85C-3eqqA:
18.97
5z85N-3eqqA:
21.73
5z85P-3eqqA:
18.97
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.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.94A 5z86A-3eqqA:
undetectable
5z86C-3eqqA:
undetectable
5z86P-3eqqA:
undetectable
5z86A-3eqqA:
21.73
5z86C-3eqqA:
18.97
5z86P-3eqqA:
18.97
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.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.00A 5z86C-3eqqA:
undetectable
5z86N-3eqqA:
undetectable
5z86P-3eqqA:
undetectable
5z86C-3eqqA:
18.97
5z86N-3eqqA:
21.73
5z86P-3eqqA:
18.97
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.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.96A 5zcoA-3eqqA:
undetectable
5zcoC-3eqqA:
undetectable
5zcoP-3eqqA:
undetectable
5zcoA-3eqqA:
21.73
5zcoC-3eqqA:
18.97
5zcoP-3eqqA:
18.97
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.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
0.97A 5zcoC-3eqqA:
undetectable
5zcoN-3eqqA:
undetectable
5zcoP-3eqqA:
undetectable
5zcoC-3eqqA:
18.97
5zcoN-3eqqA:
21.73
5zcoP-3eqqA:
18.97
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.94A 5zcpA-3eqqA:
undetectable
5zcpC-3eqqA:
undetectable
5zcpP-3eqqA:
undetectable
5zcpA-3eqqA:
21.73
5zcpC-3eqqA:
18.97
5zcpP-3eqqA:
18.97
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.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.00A 5zcpC-3eqqA:
undetectable
5zcpN-3eqqA:
undetectable
5zcpP-3eqqA:
undetectable
5zcpC-3eqqA:
18.97
5zcpN-3eqqA:
21.73
5zcpP-3eqqA:
18.97
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
0.94A 5zcqA-3eqqA:
undetectable
5zcqC-3eqqA:
undetectable
5zcqP-3eqqA:
undetectable
5zcqA-3eqqA:
21.73
5zcqC-3eqqA:
18.97
5zcqP-3eqqA:
18.97
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 10 VAL A  82
ALA A 126
ASP A 124
PHE A 114
VAL A  80
None
1.44A 6aogA-3eqqA:
undetectable
6aogA-3eqqA:
10.91
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 10 VAL A  82
ALA A 126
ASP A 124
PHE A 114
VAL A  80
None
1.44A 6aogB-3eqqA:
undetectable
6aogB-3eqqA:
10.91
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.
6DH6_A_017A104_0
(PROTEASE)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
5 / 12 GLY A 369
ALA A 368
VAL A 340
ILE A 205
GLY A 377
None
0.98A 6dh6A-3eqqA:
undetectable
6dh6A-3eqqA:
13.27
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.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida;
Pseudomonas
putida)
3 / 3 HIS A 228
SER A 230
LYS B  94
None
1.29A 6gmdB-3eqqA:
undetectable
6gmdB-3eqqA:
18.90
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 8 LEU A  23
ASP A  38
THR A  37
TYR A  36
None
1.02A 6nknC-3eqqA:
undetectable
6nknN-3eqqA:
undetectable
6nknP-3eqqA:
undetectable
6nknC-3eqqA:
18.97
6nknN-3eqqA:
21.73
6nknP-3eqqA:
18.97
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida)
4 / 7 ASP A  38
THR A  37
TYR A  36
LEU A  23
None
1.07A 6nmfA-3eqqA:
undetectable
6nmfC-3eqqA:
undetectable
6nmfP-3eqqA:
undetectable
6nmfA-3eqqA:
21.73
6nmfC-3eqqA:
18.97
6nmfP-3eqqA:
18.97