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Receptor
PDB id Resolution Class Description Source Keywords
1Z03 1.8 Å EC: 1.14.13.61 2-OXOQUINOLINE 8-MONOOXYGENASE COMPONENT: ACTIVE SITE MODULA RIESKE-[2FE-2S] CENTER OXIDATION/REDUCTION PSEUDOMONAS PUTIDA MONOOXYGENASE RIESKE CENTER OXYGEN BINDING/ACTIVATION SUBBOUND COMPLEX OXIDOREDUCTASE
Ref.: 2-OXOQUINOLINE 8-MONOOXYGENASE OXYGENASE COMPONENT: 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 MODULA RIESKE-[2FE-2S] CENTER OXIDATION/REDUCTION PSEUDOMONAS PUTIDA MONOOXYGENASE RIESKE CENTER OXYGEN BINDING/ACTIVATION SUBBOUND COMPLEX OXIDOREDUCTASE
Ref.: 2-OXOQUINOLINE 8-MONOOXYGENASE OXYGENASE COMPONENT: 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 with APoc: 166
This union binding pocket(no: 1) in the query (biounit: 1z03.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKD CMP 1.25628
2 3ZJX BOG 1.38408
3 5X7Q GLC GLC GLC GLC 2.01794
4 5X7Q GLC GLC GLC GLC GLC 2.01794
5 2X5W K2B 2.04545
6 4K33 ACP 2.15385
7 1T27 PCW 2.21402
8 3K5I ADP 2.23325
9 3K5I AIR 2.23325
10 3RV5 DXC 2.24719
11 5JZJ AN2 2.3569
12 3WV6 GAL GLC 2.36486
13 3WV6 GAL BGC 2.36486
14 3W8X FTK 2.46637
15 5H9P TD2 2.53165
16 3SHR CMP 2.67559
17 5Y72 DST 2.68657
18 3WXL ADP 2.69058
19 1XPM CAA 2.77778
20 1XPM HMG 2.77778
21 1LN1 DLP 2.80374
22 3FW4 CAQ 2.80899
23 4MUV PCG 2.8169
24 1XPK CAA 2.83505
25 1XPK HMG 2.83505
26 3W5N RAM 2.9148
27 6D6L FY4 2.94118
28 6BYM HC3 2.95567
29 1ZHX HC3 2.96804
30 2Y6Q I7T 3.01508
31 3E7O 35F 3.05556
32 4A4X JUP 3.22581
33 3Q60 ATP 3.2345
34 4YLZ LAT NAG GAL 3.26797
35 5DQ8 FLF 3.33333
36 4BG4 ADP 3.37079
37 4D7E FAD 3.4965
38 6FYZ EBE 3.5443
39 1Z83 AP5 3.57143
40 1KJ8 ATP 3.58056
41 1SLT NDG GAL 3.73134
42 2D6M LBT 3.77358
43 5J75 6GQ 3.78788
44 1EGD FAD 3.78788
45 3PFG SAM 3.80228
46 3PFG TLO 3.80228
47 5GLT BGC GAL NAG GAL 3.87324
48 3OVR 5SP 3.94737
49 1R37 NAD 4.03458
50 4P8K 38C 4.03587
51 4P8K FAD 4.03587
52 2ZJ1 ARJ 4.03587
53 2ZJ1 NAD 4.03587
54 6FYL 3NG 4.13223
55 3RG9 WRA 4.16667
56 1PZO CBT 4.18251
57 1ZB6 DIN 4.23453
58 1ZB6 GST 4.23453
59 4IAW LIZ 4.25532
60 2GC0 PAN 4.25532
61 3NV3 GAL NAG MAN 4.34783
62 4OIC A8S 4.34783
63 1VBI NAD 4.36047
64 3VRV YSD 4.42804
65 6GW1 CHO 4.4586
66 1TQP ATP 4.60993
67 5W10 CMP 4.61538
68 2I6A 5I5 4.63768
69 2YG2 S1P 4.65116
70 2YG2 FLC 4.65116
71 1ULE GLA GAL NAG 4.66667
72 3RIY NAD 4.7619
73 4CNK FAD 4.85933
74 5TDU PCR 4.87013
75 5LXT ACP 4.8951
76 3VV1 GAL FUC 5
77 3WG3 A2G GAL NAG FUC 5.05618
78 6A63 LAT 5.07246
79 3WUD GLC GAL 5.14706
80 2XCG XCG 5.15695
81 5JAX 6J7 5.18518
82 5HZ5 65X 5.22388
83 3JRS A8S 5.28846
84 5ENQ 5QE 5.32544
85 3KDJ A8S 5.44554
86 1RHC F42 ACN 5.45455
87 3I8T LBT 5.4878
88 4QAC KK3 5.52995
89 4WVW SLT 5.55556
90 4K55 H6P 5.64516
91 4ZEV M6P 5.74324
92 5NLD LBT 5.7554
93 1Y0G 8PP 5.75916
94 4AZP A9M 5.7971
95 5H9Q TD2 5.80645
96 5T7I LAT NAG GAL 5.80645
97 4KU7 PCG 5.88235
98 1A78 TDG 5.97015
99 4FHD EEM 5.97826
100 4FHD 0TT 5.97826
101 2BMR 3NT 6.05381
102 5IXH OTP 6.21118
103 4OFG PCG 6.25
104 3OJI PYV 6.34921
105 4RFR RHN 6.40394
106 5HA0 LTD 6.41026
107 2VQ5 HBA 6.46766
108 5JO1 6LM 6.48649
109 5ML3 DL3 6.71141
110 2GJ5 VD3 6.79012
111 4DVR 0LY 6.84932
112 4QCK ASD 6.99482
113 3FON VAL ASN ASP ILE PHE GLU ALA ILE 7
114 4XIZ LPP 7.05882
115 5EO8 TFU 7.07396
116 4F7E 0SH 7.14286
117 5AEW BNL 7.17489
118 4V24 GYR 7.27763
119 3WLE NAD 7.33138
120 3RUG DB6 7.35294
121 1MJJ HAL 7.76256
122 3QP6 HL6 7.92453
123 3MTX PGT 7.94702
124 2WA4 069 8.02292
125 4ZU4 4TG 8.10811
126 3SLS 77D 8.22368
127 4RYV ZEA 8.3871
128 1QY1 PRZ 8.62069
129 2YJ0 420 8.69565
130 3AIH BMA MAN MAN 9.67742
131 3QP8 HL0 9.78261
132 4MLO PAM 9.78261
133 1UJ2 C5P 9.92064
134 1I7E IBS 10.1887
135 5LXB 7A9 10.3306
136 1H74 ADP 10.473
137 5TVM PUT 10.5882
138 4ZJS 4P0 10.8696
139 3AD8 PYC 10.8911
140 3AD8 FAD 10.8911
141 3STK PLM 11.3636
142 1TW4 CHD 12
143 3E85 BSU 12.0253
144 5L6G XYP 12.3318
145 4Y24 TD2 12.3377
146 6D5E GNP 12.5749
147 1NVV GNP 12.6506
148 2HKA C3S 13.0769
149 5LJB RTL 14.0741
150 1KQW RTL 14.1791
151 5UR6 8KM 14.3646
152 3IPQ 965 14.4876
153 4WVO 3UZ 14.9171
154 5HZX 2GE 16.4773
155 2QL9 CIT 16.4948
156 4TW7 37K 18.75
157 2ZMF CMP 19.5767
158 2FTB OLA 20
159 6EHH 2GE 22.1591
160 1LFO OLA 22.6562
161 3GL0 HXX 22.9226
162 3KFF XBT 23.4568
163 3KFF ZBT 23.4568
164 1GT4 UNA 24.5283
165 2QO4 CHD 24.6032
166 5N0L ILE 26.4151
Pocket No.: 2; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 1z03.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2OBD 2OB 1.34529
2 3VYW SAM 1.94805
3 4B7X NAP 2.08333
4 1S7G NAD 2.37154
5 6MPT C30 2.44755
6 1M7Y PPG 2.52874
7 4B2Z P5S 2.69058
8 5NEA 8V8 2.69231
9 5ODY 9SK 2.89855
10 1ST0 GTG 2.96736
11 3M3E GAL A2G NPO 3.10559
12 1S3G AP5 3.22581
13 5O0B 9FE 3.7037
14 2VVM PRO 3.81166
15 3SAO DBH 4.375
16 4NG2 OHN 4.42478
17 2X32 OTP 4.46927
18 3FC4 EDO 5.38117
19 1ZIN AP5 5.99078
20 1IND EOT 6.19469
21 2YAK OSV 6.31579
22 3ZXE PGZ 6.76692
23 4BX7 B4F 7.03125
24 3OCP CMP 7.91367
25 3A6T 8OG 8.52713
26 2AMT 1AA 16.3522
27 5EZU MYR 16.8539
Pocket No.: 3; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 1z03.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1UNB PN1 1.28617
2 1UNB AKG 1.28617
3 2OBD PCW 1.34529
4 3PUR 2HG 1.56951
5 3AMN CBK 2.26415
6 3AMN CBI 2.26415
7 5HV0 AKG 2.30415
8 4QWT ACD 2.9148
9 4I53 1C1 3.91061
10 3SAO NKN 4.375
11 5OCG 9R5 4.7619
12 1C1L GAL BGC 5.10949
13 6FA4 GNP 5.20231
14 5DMZ ADP 5.20548
15 4DS8 A8S 5.74163
16 5XEG AKG 6.49351
17 3THR C2F 7.50853
18 4WO4 JLS 7.66423
19 3EW2 BTN 8.14815
20 2YMZ LAT 8.46154
21 4YGF AZM 8.97436
22 1IS3 LAT 9.62963
23 5MN0 A8S 11.0048
24 4MNS 2AX 13.2075
25 3WUC GLC GAL 16.7883
Pocket No.: 4; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 15
This union binding pocket(no: 4) in the query (biounit: 1z03.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2A1L PCW 2.22222
2 5L2R MLA 2.24215
3 5NFB 8VT 2.27273
4 6AM8 PLT 2.52525
5 3FHI ANP 2.85714
6 2RDQ AKG 3.125
7 3PG7 PTY 3.125
8 1UKZ ADP 3.94089
9 4B1V LAB 3.98936
10 1VA6 ADP 4.4843
11 1DZK PRZ 5.09554
12 3W9R A8S 6.34921
13 4QYN RTL 7.5188
14 5G41 AP5 7.62332
15 2GTF P1R 9.44444
Pocket No.: 5; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 1z03.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3FB4 AP5 2.77778
2 2X34 UQ8 4.41989
3 6D5V GNP 12.5749
4 6D59 GNP 12.5749
5 6D56 GNP 12.5749
6 6D55 GNP 12.5749
Pocket No.: 6; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 1z03.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3OND NAD 3.58744
2 3OND ADN 3.58744
3 3MBG FAD 4.31655
4 4G7A AZM 5.64516
5 3GZ8 APR 11.7284
Pocket No.: 7; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 6
This union binding pocket(no: 10) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5A5W GUO 1.58103
2 3OKI OKI 2.57511
3 1AKY AP5 2.72727
4 5YU3 PRO 3.19767
5 5YU3 NAD 3.19767
6 4X8O AP5 6.54206
Pocket No.: 11; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 2
This union binding pocket(no: 11) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5MY8 RXZ 1.82768
2 5NIU 8YZ 8.59375
Pocket No.: 12; Query (leader) PDB : 1Z03; Ligand: OCH; Similar sites found with APoc: 4
This union binding pocket(no: 12) in the query (biounit: 1z03.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4DX5 MIY 5.32544
2 1EWJ BLM 5.55556
3 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 7.07071
4 4C2V YJA 15.7895
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