Receptor
PDB id Resolution Class Description Source Keywords
4N4M 2.1 Å EC: 1.7.3.4 KUENENIA STUTTGARTIENSIS HYDROXYLAMINE OXIDOREDUCTASE SOAKED HYDRAZINE CANDIDATUS KUENENIA STUTTGARTIENSIS C-TYPE CYTOCHROME OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF BIOLOGICAL NO GENERATION BY OCT OXIDOREDUCTASES. J.BIOL.CHEM. V. 289 1228 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:620;
A:617;
A:615;
A:613;
A:618;
A:619;
A:614;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
EDO A:611;
A:606;
A:607;
A:608;
A:610;
A:605;
A:609;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PO4 A:603;
A:602;
A:601;
A:604;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
PHZ A:612;
 Valid;
 none;
 submit data
108.141 C6 H8 N2 c1ccc...
HEC A:616;
 Part of Protein;
 none;
 submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N4J 1.8 Å EC: 1.7.3.4 KUENENIA STUTTGARTIENSIS HYDROXYLAMINE OXIDOREDUCTASE CANDIDATUS KUENENIA STUTTGARTIENSIS C-TYPE CYTOCHROME OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF BIOLOGICAL NO GENERATION BY OCT OXIDOREDUCTASES. J.BIOL.CHEM. V. 289 1228 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N4L - HG1 C18 H35 N O7 C1CCC(CC1)....
2 4N4M - PHZ C6 H8 N2 c1ccc(cc1)....
3 4N4J - HG1 C18 H35 N O7 C1CCC(CC1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N4L - HG1 C18 H35 N O7 C1CCC(CC1)....
2 4N4M - PHZ C6 H8 N2 c1ccc(cc1)....
3 4N4J - HG1 C18 H35 N O7 C1CCC(CC1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N4L - HG1 C18 H35 N O7 C1CCC(CC1)....
2 4N4M - PHZ C6 H8 N2 c1ccc(cc1)....
3 4N4J - HG1 C18 H35 N O7 C1CCC(CC1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PHZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PHZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PHZ; Similar ligands found: 226
No: Ligand Similarity coefficient
1 BNZ 1.0000
2 B20 1.0000
3 0PY 1.0000
4 P1R 1.0000
5 3ZS 0.9765
6 A2Q 0.9687
7 7EX 0.9672
8 3TR 0.9647
9 IMD 0.9644
10 V1L 0.9644
11 OXM 0.9634
12 OXL 0.9632
13 CYH 0.9621
14 PZO 0.9618
15 BAQ 0.9615
16 HUH 0.9615
17 AMT 0.9601
18 LGA 0.9600
19 IPH 0.9597
20 HSL 0.9594
21 PYR 0.9575
22 CXL 0.9570
23 9PO 0.9569
24 WOT 0.9558
25 3AP 0.9557
26 1CB 0.9554
27 2AP 0.9553
28 HVK 0.9553
29 4AP 0.9544
30 2OP 0.9537
31 MBN 0.9536
32 LAC 0.9536
33 GBL 0.9533
34 HRZ 0.9532
35 OXD 0.9529
36 HOW 0.9527
37 2AI 0.9524
38 HGY 0.9517
39 4MZ 0.9501
40 2IM 0.9499
41 6SP 0.9496
42 1MZ 0.9493
43 MB3 0.9493
44 TRI 0.9489
45 3MT 0.9483
46 KSW 0.9471
47 MR3 0.9463
48 DAL 0.9455
49 8CL 0.9443
50 4AX 0.9440
51 HAI 0.9437
52 HHN 0.9436
53 ALA 0.9432
54 2MZ 0.9431
55 NIS 0.9430
56 HGW 0.9429
57 5MP 0.9428
58 DTI 0.9425
59 MMZ 0.9424
60 BUO 0.9418
61 GXE 0.9416
62 TTO 0.9415
63 PIH 0.9415
64 L60 0.9410
65 DMI 0.9401
66 93B 0.9384
67 3ZQ 0.9368
68 MZY 0.9358
69 GOL 0.9356
70 DGY 0.9353
71 NAK 0.9348
72 5KX 0.9343
73 ATQ 0.9332
74 PYM 0.9330
75 JZ6 0.9325
76 HYN 0.9324
77 40O 0.9308
78 ES3 0.9299
79 BYZ 0.9291
80 ALF 0.9279
81 3OH 0.9257
82 PYZ 0.9251
83 5Y9 0.9250
84 DXX 0.9238
85 GOA 0.9237
86 GLV 0.9225
87 8LG 0.9223
88 L89 0.9214
89 76X 0.9213
90 CAQ 0.9203
91 SER 0.9182
92 4XX 0.9179
93 92Z 0.9176
94 FP2 0.9172
95 1AN 0.9169
96 93Q 0.9164
97 AKR 0.9155
98 2AF 0.9153
99 HBS 0.9150
100 938 0.9146
101 ALQ 0.9142
102 JZ0 0.9125
103 CEJ 0.9124
104 FAH 0.9121
105 DUC 0.9119
106 XIX 0.9113
107 OXE 0.9095
108 BEW 0.9093
109 DSN 0.9092
110 HPY 0.9073
111 2CH 0.9067
112 HUI 0.9054
113 24T 0.9052
114 URA 0.9049
115 HTS 0.9043
116 CYT 0.9040
117 LG3 0.9039
118 6X8 0.9033
119 26D 0.9029
120 PPI 0.9023
121 GLY 0.9023
122 RCO 0.9020
123 8GF 0.9017
124 2KT 0.9012
125 HAE 0.9009
126 CRS 0.8998
127 1AC 0.8988
128 NIE 0.8986
129 NHY 0.8982
130 HGQ 0.8978
131 LG5 0.8972
132 ECE 0.8969
133 F50 0.8967
134 TMT 0.8965
135 YAN 0.8963
136 TMZ 0.8963
137 TF4 0.8960
138 MZ0 0.8960
139 RP7 0.8952
140 61G 0.8947
141 3CH 0.8939
142 PCR 0.8938
143 E60 0.8936
144 25T 0.8935
145 4JU 0.8931
146 CIG 0.8930
147 BVF 0.8929
148 LG4 0.8928
149 25R 0.8919
150 AGU 0.8917
151 1DH 0.8908
152 HQE 0.8907
153 B3R 0.8903
154 R3W 0.8899
155 BAL 0.8896
156 ICC 0.8895
157 MGX 0.8895
158 HEW 0.8895
159 NMU 0.8888
160 285 0.8884
161 PXY 0.8883
162 DA1 0.8874
163 HHQ 0.8873
164 4JN 0.8872
165 F3V 0.8870
166 2MH 0.8865
167 BML 0.8864
168 FPN 0.8862
169 DMG 0.8862
170 4CH 0.8857
171 PLQ 0.8857
172 HVB 0.8854
173 IOL 0.8852
174 H3M 0.8851
175 284 0.8851
176 HIU 0.8846
177 M3T 0.8841
178 280 0.8839
179 4HS 0.8832
180 4H2 0.8817
181 NVI 0.8802
182 CYS 0.8794
183 4DX 0.8778
184 A3B 0.8769
185 KG7 0.8762
186 SYN 0.8758
187 282 0.8756
188 2A1 0.8754
189 3MC 0.8746
190 IDH 0.8744
191 C5J 0.8741
192 MLI 0.8738
193 MLA 0.8733
194 ETF 0.8727
195 3PY 0.8724
196 GXV 0.8718
197 FFP 0.8714
198 TAY 0.8713
199 3FA 0.8709
200 J1Z 0.8709
201 MBD 0.8704
202 TSZ 0.8702
203 PYG 0.8694
204 2C9 0.8682
205 TM4 0.8680
206 6MH 0.8677
207 FLM 0.8675
208 BVG 0.8673
209 BVC 0.8655
210 DUB 0.8654
211 2MY 0.8647
212 ATO 0.8637
213 2CM 0.8627
214 3CE 0.8621
215 J3K 0.8610
216 ABN 0.8607
217 MMU 0.8602
218 9CL 0.8586
219 1XX 0.8576
220 3MH 0.8574
221 URF 0.8562
222 XYS 0.8560
223 NBE 0.8555
224 27Y 0.8538
225 94N 0.8531
226 BR9 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4n4j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4n4j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4n4j.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4n4j.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4n4j.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4n4j.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4N4J; Ligand: HG1; 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: 4n4j.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4n4j.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4n4j.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4N4J; Ligand: HG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4n4j.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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