Receptor
PDB id Resolution Class Description Source Keywords
1Z03 1.8 Å EC: 1.14.13.61 2-OXOQUINOLINE 8-MONOOXYGENASE COMPONENT: ACTIVE SITE MODULATION BY RIESKE-[2FE-2S] CENTER OXIDATION/REDUCTION PSEUDOMONAS PUTIDA MONOOXYGENASE RIESKE CENTER OXYGEN BINDING/ACTIVATION SUBSTRATE BOUND COMPLEX OXIDOREDUCTASE
Ref.: 2-OXOQUINOLINE 8-MONOOXYGENASE OXYGENASE COMPONENT: ACTIVE SITE MODULATION BY RIESKE-[2FE-2S] CENTER OXIDATION/REDUCTION STRUCTURE V. 13 817 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:501;
B:501;
C:501;
D:501;
E:501;
F:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
FES A:500;
B:500;
C:500;
D:500;
E:500;
F:500;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
OCH A:4600;
B:4601;
C:4602;
D:4603;
E:4604;
F:4605;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
145.158 C9 H7 N O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z03 1.8 Å EC: 1.14.13.61 2-OXOQUINOLINE 8-MONOOXYGENASE COMPONENT: ACTIVE SITE MODULATION BY RIESKE-[2FE-2S] CENTER OXIDATION/REDUCTION PSEUDOMONAS PUTIDA MONOOXYGENASE RIESKE CENTER OXYGEN BINDING/ACTIVATION SUBSTRATE BOUND COMPLEX OXIDOREDUCTASE
Ref.: 2-OXOQUINOLINE 8-MONOOXYGENASE OXYGENASE COMPONENT: ACTIVE SITE MODULATION BY RIESKE-[2FE-2S] CENTER OXIDATION/REDUCTION STRUCTURE V. 13 817 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1Z03 - OCH C9 H7 N O c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1Z03 - OCH C9 H7 N O c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1Z03 - OCH C9 H7 N O c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OCH; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OCH 1 1
2 0TU 0.404255 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: 106
This union binding pocket(no: 1) in the query (biounit: 1z03.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZJX BOG 0.01463 0.4004 1.38408
2 2X5W K2B 0.03743 0.40051 2.04545
3 4K33 ACP 0.01676 0.40945 2.15385
4 1T27 PCW 0.01477 0.43875 2.21402
5 3K5I ADP 0.02027 0.40695 2.23325
6 3K5I AIR 0.03689 0.40695 2.23325
7 3RI1 3RH 0.0354 0.40437 2.23642
8 3RV5 DXC 0.01045 0.41517 2.24719
9 5JZJ AN2 0.01868 0.40326 2.3569
10 3W8X FTK 0.01425 0.40496 2.46637
11 5H9P TD2 0.009886 0.40525 2.53165
12 1XPM CAA 0.03274 0.40492 2.77778
13 1XPM HMG 0.03625 0.40382 2.77778
14 1LN1 DLP 0.02059 0.42177 2.80374
15 3FW4 CAQ 0.01885 0.41628 2.80899
16 4MUV PCG 0.01493 0.40819 2.8169
17 1XPK CAA 0.03194 0.40138 2.83505
18 1XPK HMG 0.04325 0.40091 2.83505
19 1ZHX HC3 0.02137 0.41341 2.96804
20 2Y6Q I7T 0.03199 0.42424 3.01508
21 3E7O 35F 0.02587 0.41411 3.05556
22 4A4X JUP 0.03621 0.40128 3.22581
23 3Q60 ATP 0.01295 0.41131 3.2345
24 4YLZ LAT NAG GAL 0.007522 0.402 3.26797
25 5DQ8 FLF 0.01617 0.41686 3.33333
26 4BG4 ADP 0.01768 0.40825 3.37079
27 1Z83 AP5 0.02984 0.41305 3.57143
28 5J75 6GQ 0.01153 0.41386 3.78788
29 5GLT BGC GAL NAG GAL 0.001009 0.40602 3.87324
30 3OVR 5SP 0.02808 0.40283 3.94737
31 1R37 NAD 0.03912 0.40877 4.03458
32 3RG9 WRA 0.03078 0.4184 4.16667
33 1PZO CBT 0.0299 0.41909 4.18251
34 1ZB6 GST 0.0124 0.42993 4.23453
35 1ZB6 DIN 0.01171 0.42993 4.23453
36 4IAW LIZ 0.004988 0.42516 4.25532
37 2GC0 PAN 0.0204 0.40324 4.25532
38 2BNJ XYP XYP AHR FER 0.02063 0.41422 4.29043
39 4OIC A8S 0.01788 0.40423 4.34783
40 1VBI NAD 0.03709 0.40568 4.36047
41 3VRV YSD 0.02146 0.43397 4.42804
42 1TQP ATP 0.03365 0.40019 4.60993
43 5W10 CMP 0.005036 0.43608 4.61538
44 2I6A 5I5 0.02348 0.40194 4.63768
45 2YG2 S1P 0.01482 0.41728 4.65116
46 2YG2 FLC 0.01914 0.41593 4.65116
47 2FHJ H4Z 0.01359 0.41589 4.72973
48 3RIY NAD 0.04697 0.40013 4.7619
49 4CNK FAD 0.03223 0.41729 4.85933
50 3JRS A8S 0.01462 0.41062 5.28846
51 5ENQ 5QE 0.005149 0.44432 5.32544
52 3KDJ A8S 0.01309 0.41493 5.44554
53 1RHC F42 ACN 0.02734 0.41282 5.45455
54 4WVW SLT 0.001636 0.45449 5.55556
55 1Y0G 8PP 0.0458 0.41146 5.75916
56 4AZP A9M 0.03005 0.40278 5.7971
57 5H9Q TD2 0.002566 0.45128 5.80645
58 5T7I LAT NAG GAL 0.01409 0.40109 5.80645
59 4FHD EEM 0.01081 0.43561 5.97826
60 4FHD 0TT 0.01081 0.43561 5.97826
61 5IXH OTP 0.0391 0.41356 6.21118
62 3OJI PYV 0.01579 0.41253 6.34921
63 4RFR RHN 0.007692 0.42671 6.40394
64 2VQ5 HBA 0.001081 0.41793 6.46766
65 5JO1 6LM 0.01335 0.41629 6.48649
66 5ML3 DL3 0.03303 0.4148 6.71141
67 2GJ5 VD3 0.006313 0.45394 6.79012
68 4DVR 0LY 0.01774 0.4002 6.84932
69 4QCK ASD 0.01532 0.40556 6.99482
70 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.02936 0.40995 7
71 4XIZ LPP 0.01593 0.42776 7.05882
72 5AEW BNL 0.0009158 0.46141 7.17489
73 4V24 GYR 0.004702 0.44637 7.27763
74 3RUG DB6 0.02796 0.42512 7.35294
75 1O7N IND 0.0006234 0.46963 7.73196
76 1MJJ HAL 0.03519 0.40058 7.76256
77 3QP6 HL6 0.01322 0.40878 7.92453
78 3MTX PGT 0.03443 0.40857 7.94702
79 3SLS 77D 0.004433 0.43688 8.22368
80 2YJ0 420 0.034 0.42843 8.69565
81 4EIP FAD 0.03461 0.42075 9.41704
82 3QP8 HL0 0.01154 0.41384 9.78261
83 4MLO PAM 0.01057 0.41366 9.78261
84 1UJ2 C5P 0.02872 0.40662 9.92064
85 5LXB 7A9 0.002218 0.4159 10.3306
86 1H74 ADP 0.04364 0.40408 10.473
87 5TVM PUT 0.005885 0.40961 10.5882
88 3AD8 FAD 0.03294 0.4347 10.8911
89 3E85 BSU 0.03713 0.41389 12.0253
90 4Y24 TD2 0.007718 0.4158 12.3377
91 1NVV GNP 0.03393 0.40278 12.6506
92 2HKA C3S 0.01842 0.4091 13.0769
93 4MNS 2AX 0.04739 0.41459 13.2075
94 5LJB RTL 0.01778 0.40988 14.0741
95 1KQW RTL 0.008371 0.4229 14.1791
96 3IPQ 965 0.04688 0.40017 14.4876
97 2AMT 1AA 0.02185 0.4129 16.3522
98 2QL9 CIT 0.001983 0.40674 16.4948
99 4TW7 37K 0.02687 0.40815 18.75
100 2ZMF CMP 0.000829 0.47589 19.5767
101 2FTB OLA 0.03835 0.40924 20
102 1LFO OLA 0.01818 0.40764 22.6562
103 3GL0 HXX 0.00887 0.41521 22.9226
104 3KFF XBT 0.00387 0.42504 23.4568
105 3KFF ZBT 0.00387 0.42504 23.4568
106 1GT4 UNA 0.01678 0.40563 24.5283
Pocket No.: 2; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1z03.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1z03.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: 22
This union binding pocket(no: 4) in the query (biounit: 1z03.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UNB AKG 0.01756 0.42061 1.28617
2 1UNB PN1 0.01957 0.42061 1.28617
3 3VYW SAM 0.0251 0.4038 1.94805
4 2A1L PCW 0.002891 0.47866 2.22222
5 3AMN CBK 0.03387 0.40282 2.26415
6 3FHI ANP 0.03811 0.4001 2.85714
7 1ST0 GTG 0.01575 0.42916 2.96736
8 2RDQ AKG 0.01522 0.41506 3.125
9 1S3G AP5 0.01851 0.43055 3.22581
10 1UKZ ADP 0.04144 0.40531 3.94089
11 4B1V LAB 0.04943 0.40004 3.98936
12 4NG2 OHN 0.02336 0.40378 4.42478
13 1VA6 ADP 0.03843 0.40709 4.4843
14 1DZK PRZ 0.01959 0.40019 5.09554
15 4DS8 A8S 0.01973 0.40003 5.74163
16 2YAK OSV 0.03714 0.40447 6.31579
17 3W9R A8S 0.01772 0.40022 6.34921
18 4QYN RTL 0.01178 0.41727 7.5188
19 5G41 AP5 0.0188 0.43472 7.62332
20 4WO4 JLS 0.04336 0.41106 7.66423
21 2YMZ LAT 0.001189 0.45544 8.46154
22 3A6T 8OG 0.02042 0.4013 8.52713
Pocket No.: 5; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1z03.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1z03.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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