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Receptor
PDB id Resolution Class Description Source Keywords
1QV1 1.1 Å EC: 1.13.12.5 ATOMIC RESOLUTION STRUCTURE OF OBELIN FROM OBELIA LONGISSIMA OBELIA LONGISSIMA PHOTOPROTEIN OBELIN BIOLUMINESCENCE ATOMIC RESOLUTION CABINDING EF-HAND LUMINESCENT PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURE OF OBELIN: SOAKING WITH ENHANCES ELECTRON DENSITY OF THE SECOND OXYGEN ATOM SUBSTITUTED AT THE C2-POSITION OF COELENTERAZINE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 311 433 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:403;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CO A:401;
A:402;
Invalid;
Invalid;
none;
none;
submit data
58.933 Co [Co+2...
CZH A:201;
Valid;
none;
submit data
455.462 C26 H21 N3 O5 c1ccc...
GOL A:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:404;
Part of Protein;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QV1 1.1 Å EC: 1.13.12.5 ATOMIC RESOLUTION STRUCTURE OF OBELIN FROM OBELIA LONGISSIMA OBELIA LONGISSIMA PHOTOPROTEIN OBELIN BIOLUMINESCENCE ATOMIC RESOLUTION CABINDING EF-HAND LUMINESCENT PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURE OF OBELIN: SOAKING WITH ENHANCES ELECTRON DENSITY OF THE SECOND OXYGEN ATOM SUBSTITUTED AT THE C2-POSITION OF COELENTERAZINE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 311 433 2003
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
2 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
3 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
4 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
5 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
7 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
9 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 5ZAB - 9A3 C27 H20 F3 N3 O4 c1ccc(cc1)....
3 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
4 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
5 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
10 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
11 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
12 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
13 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
14 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
15 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
16 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 5ZAB - 9A3 C27 H20 F3 N3 O4 c1ccc(cc1)....
3 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
4 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
5 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
10 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
11 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
12 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
13 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
14 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
15 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
16 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CZH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CZH 1 1
2 9A3 0.846154 0.9375
3 CTZ 0.721519 0.885246
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QV1; Ligand: CZH; Similar sites found with APoc: 148
This union binding pocket(no: 1) in the query (biounit: 1qv1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1UO4 PIH None
3 4WG0 CHD None
4 5TVI MYR None
5 1OW4 2AN None
6 3WUR O4B None
7 2VWA PTY None
8 3ROE THM 1.02564
9 5VGS 9A7 1.27389
10 5VGS 9A4 1.27389
11 2GBB CIT 1.53846
12 3B6O TMP 1.53846
13 5OCM 9RH 1.53846
14 5CX8 TG6 2.05128
15 1YHM AHD 2.05128
16 1J1R ADE 2.05128
17 1ZDT PEF 2.05128
18 2JAP J01 2.05128
19 4MGA 27L 2.5641
20 6CB2 OLC 2.5641
21 5DX3 EST 2.5641
22 5DXG EST 2.5641
23 5WGQ EST 2.5641
24 5HYR EST 2.5641
25 2QA8 GEN 2.5641
26 5WGD EST 2.5641
27 4MG9 27K 2.5641
28 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 2.5641
29 5DXE EST 2.5641
30 5E70 RCD 2.5641
31 4TUZ 36J 2.5641
32 3UUD EST 2.5641
33 5DCH 1YO 2.60417
34 3RLB VIB 2.60417
35 3KP6 SAL 2.64901
36 2GWH PCI 3.07692
37 4MRP GSH 3.07692
38 4R29 SAM 3.07692
39 2QX0 APC 3.14465
40 2V57 PRL 3.15789
41 3D78 NBB 3.36134
42 1M2Z BOG 3.58974
43 3HZL 6PC 3.58974
44 1M2Z DEX 3.58974
45 4OAR 2S0 3.58974
46 3SQP 3J8 3.58974
47 5KDX GAL TNR 3.58974
48 4V3I ASP LEU THR ARG PRO 3.58974
49 1S5O 152 3.58974
50 4AZC NGW 3.58974
51 4V2O CLQ 3.65854
52 3PMD 11A 3.92157
53 4H9T HL4 4.10256
54 2OZ5 7XY 4.10256
55 6GSG RCO 4.10256
56 3RS8 ALA TRP LEU PHE GLU ALA 4.10256
57 4HE2 AMP 4.10256
58 5KD8 TNR 4.10256
59 3AQT RCO 4.10256
60 5IXK 6EW 4.10256
61 5WIU AQD 4.10256
62 2C3Q GTX 4.10256
63 1SJD NPG 4.10256
64 5NTP 98E 4.10256
65 1J78 VDY 4.61538
66 1J78 OLA 4.61538
67 3DTU DXC 4.61538
68 4XNV BUR 4.61538
69 3ZQE DXC 4.61538
70 4DO1 ANN 4.61538
71 2UW1 GVM 4.61538
72 5AZC PGT 4.61538
73 3NJQ NJQ 4.66321
74 4HBM 0Y7 5
75 5C9J DAO 5.05051
76 4RQL SNE 5.12821
77 1YYE 196 5.12821
78 5EW0 3C7 5.12821
79 5GOP FRU 5.12821
80 5DQW ADP 5.12821
81 4J26 EST 5.64103
82 4J24 EST 5.64103
83 1U3R 338 5.64103
84 5A4W QCT 5.64103
85 6MVU K4V 6.15385
86 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 6.15385
87 5C1M OLC 6.4
88 5CHR 4NC 6.56934
89 1R6N 434 6.66667
90 2VRQ XYP XYP AHR 6.66667
91 1BWO LPC 6.66667
92 4F06 PHB 6.66667
93 3KDJ A8S 6.66667
94 1RV1 IMZ 7.05882
95 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 7.17949
96 3KJD 78P 7.17949
97 1PZL MYR 7.17949
98 4P6X HCY 7.17949
99 5A67 3PO 7.54717
100 1Q7E MET 8.20513
101 1M1B SPV 8.20513
102 5LX9 OLB 8.20513
103 5V4R MGT 8.64198
104 1NC4 DOF 8.71795
105 5OSW DIU 9.23077
106 5OSW CIT 9.23077
107 2X00 GYN 9.23077
108 1VLH PNS 9.24856
109 4QO5 NAG 9.74359
110 3H0A 9RA 9.74359
111 3LDW ZOL 9.74359
112 5OCA 9QZ 9.74359
113 4WGF HX2 10.2564
114 4YSX E23 10.2564
115 5GQX GLC GLC GLC GLC 10.2564
116 4MPO AMP 10.4575
117 5LWY OLB 10.9244
118 3GN8 DEX 11.2821
119 5UFS 1TA 11.2821
120 5EPA AKG 11.2821
121 4F4S EFO 11.8421
122 3RY9 1CA 12.3077
123 5X80 SAL 12.5
124 5W97 CHD 12.766
125 5ZCO CHD 12.766
126 5Z84 CHD 12.766
127 4URX FK1 12.8205
128 3AI3 SOE 12.8205
129 6BVM EBV 12.8205
130 6BVK EAV 12.8205
131 6BVJ EAS 12.8205
132 5MZI FYK 12.8205
133 4V1F BQ1 13.9535
134 2D5X L35 15.0685
135 2W3L DRO 15.2778
136 3E70 GDP 15.3846
137 5M37 9SZ 16.4103
138 4RW3 TDA 16.9231
139 3B8I OXL 17.9487
140 5W7B MYR 18.4397
141 4OB6 S2T 19.4872
142 4EKQ NPO 20.3209
143 6BR8 6OU 20.5128
144 6BR8 PGV 20.5128
145 5Y02 HBX 20.5607
146 5Y02 MXN 20.5607
147 3BJC WAN 25.1282
148 1RDT L79 34.7826
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