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Receptor
PDB id Resolution Class Description Source Keywords
3WFD 2.3 Å EC: 1.7.2.5 REDUCED AND ACETALDOXIME-BOUND CYTOCHROME C-DEPENDENT NITRIC REDUCTASE (CNOR) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITF RAGMENT MUS MUSCULUS METAL-BINDING MEMBRANE PROTEIN IMMUNE SYSTEM-OXIDOREDUCTAS
Ref.: STRUCTURES OF REDUCED AND LIGAND-BOUND NITRIC OXIDE REDUCTASE PROVIDE INSIGHTS INTO FUNCTIONAL DIFFEREN RESPIRATORY ENZYMES PROTEINS 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEC C:201;
 Part of Protein;
 none;
 submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
FE B:803;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+3...
10M B:805;
B:807;
 Invalid;
Invalid;
 none;
none;
 submit data
498.628 C22 H42 O10 S CCCCC...
HEM B:802;
B:801;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
AXO B:804;
 Valid;
 none;
 submit data
59.067 C2 H5 N O C/C=N...
CA B:806;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WFD 2.3 Å EC: 1.7.2.5 REDUCED AND ACETALDOXIME-BOUND CYTOCHROME C-DEPENDENT NITRIC REDUCTASE (CNOR) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITF RAGMENT MUS MUSCULUS METAL-BINDING MEMBRANE PROTEIN IMMUNE SYSTEM-OXIDOREDUCTAS
Ref.: STRUCTURES OF REDUCED AND LIGAND-BOUND NITRIC OXIDE REDUCTASE PROVIDE INSIGHTS INTO FUNCTIONAL DIFFEREN RESPIRATORY ENZYMES PROTEINS 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WFD - AXO C2 H5 N O C/C=N/O
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 3WFD - AXO C2 H5 N O C/C=N/O
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
4 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
5 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
6 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
7 3WFD - AXO C2 H5 N O C/C=N/O
8 4XVU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
11 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AXO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AXO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WFD; Ligand: AXO; Similar sites found with APoc: 204
This union binding pocket(no: 1) in the query (biounit: 3wfd.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1O6Z NAD 3.28639
2 5LU5 M7P 3.5533
3 1UUO FMN 3.55556
4 1UUO ORO 3.55556
5 1UUO BRF 3.55556
6 2OBD PCW 3.55556
7 4XRZ SI6 3.55556
8 3RLB VIB 3.64583
9 3QKD HI0 3.87097
10 3P9T TCL 4.10959
11 5N9T 8QQ 4.20168
12 4DSG UDP 4.22535
13 4DSG FAD 4.22535
14 4CW5 FMN 4.44444
15 5FOI MY8 4.44444
16 4H07 IPH 4.54545
17 1D6H COA 4.69484
18 2HI4 BHF 4.69484
19 1SNN 5RP 4.69484
20 5CSD ACD 4.79452
21 2RH1 CLR 4.79452
22 6C1R EFD 4.79452
23 3QCP FAD 4.79452
24 3MMR ABH 4.79452
25 3G4G D71 4.88889
26 5ULJ 0WD 4.88889
27 2CDN ADP 4.97512
28 5KBZ 3B2 5.03979
29 1ZGA HMK 5.04202
30 3W54 RNB 5.16717
31 4QWT ACD 5.33333
32 6GK6 MYR 5.3528
33 3D72 FAD 5.36913
34 5UBG PRT 5.47945
35 2VHW NAI 5.47945
36 2UXI G50 5.47945
37 6H21 UD1 5.47945
38 1W2Y DUN 5.47945
39 3A06 NDP 5.47945
40 1E8G FCR 5.47945
41 4IGH ORO 5.6338
42 4IGH FMN 5.6338
43 4IGH 1EA 5.6338
44 5FH7 5XL 5.64516
45 4UYE 9F9 5.9322
46 2Q8G AZX 6.10329
47 3E8T UQ8 6.10329
48 4O1Z MXM 6.16438
49 3GF4 U5P 6.16438
50 3QWI CUE 6.16438
51 1B4N GUA 6.16438
52 4WP9 ZDA 6.22222
53 6B5Q PPI CZS 2KY MLY 1XY 6.22222
54 3LL9 ADP 6.3197
55 3LN0 52B 6.57277
56 3OKI OKI 6.84932
57 5DKK FMN 6.89655
58 4Z3X MTE 7.04225
59 4Z3X 4KX 7.04225
60 1TMX HGX 7.04225
61 2HFU MEV 7.22892
62 4WRI OKA 7.29167
63 5N18 8HZ 7.33945
64 3HF3 FMN 7.44986
65 4P6X HCY 7.51174
66 3RY9 1CA 7.51174
67 5W8Q BU4 7.53425
68 3VRV YSD 7.53425
69 2IVN ANP 7.53425
70 2Y7P SAL 7.53425
71 5F5N NAD 7.53425
72 2UUU FAD 7.53425
73 2UUU PL3 7.53425
74 4NVQ SAH 7.53425
75 4NVQ 2OD 7.53425
76 4YRY FAD 7.55556
77 5K53 STE 7.63359
78 2HFN FMN 7.84314
79 1YJQ NAP 7.92079
80 2BYC FMN 8.0292
81 3UVD MB3 8.06452
82 2AIB ERG 8.16327
83 4WUJ FMN 8.16327
84 2VC9 NOK 8.21918
85 3MHA Z69 8.21918
86 5GLN XYS 8.21918
87 5GLN XYP XYP XYP 8.21918
88 1FP2 HMO 8.21918
89 3A51 VDY 8.21918
90 6BXO SAH 8.4507
91 5LOF 70R 8.8172
92 1FP1 HCC 8.87097
93 1GNI OLA 8.90411
94 2ZCQ B65 8.90411
95 2WXD E18 8.90411
96 3AHO 3A2 8.90411
97 5W7B MYR 8.90411
98 4KCF AKM 8.90411
99 4OAR 2S0 8.90411
100 3WCA FPS 9.0411
101 3F5K CE5 9.58904
102 3MDV CL6 9.58904
103 2GTE VA 9.67742
104 2IYG FMN 9.67742
105 5VN0 NAI 9.67742
106 2JFZ 003 9.77778
107 2JFZ DGL 9.77778
108 2C0U FAD NBT 9.77778
109 5F1R 42O 9.77778
110 4YC9 4C1 9.78261
111 1X0P FAD 9.79021
112 5IXK 6EW 9.85915
113 1YRX FMN 9.91736
114 5MBC FMN 10.2222
115 2AG8 NAP 10.274
116 4RDZ MYR 10.274
117 4H6U ACO 10.274
118 4B7S QLE 10.274
119 3T6E UQ9 10.274
120 3WVS RRM 10.3286
121 1T0S BML 10.4651
122 3OGN 3OG 10.4839
123 1XVB BHL 10.5882
124 5OCS FMN 10.6667
125 5DNL 5DL 10.6667
126 3RMK BML 10.7981
127 5TDU PCR 10.7981
128 4JD3 PLM 10.7981
129 4JD3 COA 10.7981
130 5IBE 69M 10.9589
131 5B4B LP5 10.9589
132 4XDZ NDP 10.9589
133 3KPX CZH 11.1111
134 3QMK SGN IDS SGN IDS 11.215
135 1LRI CLR 11.2245
136 3ZLR X0B 11.3924
137 1OW4 2AN 11.6279
138 5ECP ATP 11.6438
139 5ECP JAA 11.6438
140 5ECP MET 11.6438
141 1NBU PH2 11.7647
142 3EUF BAU 12.2066
143 5N7O 69Y 12.2172
144 5V3Y 5V8 12.2378
145 5IKR ID8 12.3288
146 4RC8 STE 12.3288
147 5K52 OCD 12.3288
148 5CUQ NSC 12.3596
149 2UYT ADP 12.4444
150 2UYT LRH 12.4444
151 2GJ3 FAD 12.5
152 1YUC EPH 12.549
153 5LGD PLM 12.8492
154 3GWZ SAH 13.0137
155 3GXO SAH 13.0137
156 4KVL PLM 13.0137
157 1M13 HYF 13.6986
158 1P3D ANP 13.6986
159 4BNU 9KQ 13.6986
160 4G6I RS3 13.6986
161 3EM0 CHD 13.7681
162 4HIA FMN 14.2045
163 4ZAL 4LR 14.3836
164 4ZAL FNR 14.3836
165 2XFH CL6 14.3836
166 5YAK FMN 14.7727
167 4WPF 3SN 15.0235
168 5APK 76E 15.0235
169 3CLH NAD 15.0685
170 4XT8 TMQ 15.0685
171 4XT8 NAP 15.0685
172 6ESN BWE 15.493
173 5NTW 98N 15.493
174 4MNS 2AX 15.7534
175 1P1M MET 15.7534
176 5N1Z 8GQ 17.0732
177 3RS8 ALA TRP LEU PHE GLU ALA 17.3333
178 5W7U GY8 17.8082
179 1Z8O DEB 17.8404
180 4XUB 43D 17.9487
181 2QQD AG2 18.8679
182 2QQC AG2 18.8679
183 1N13 AG2 19.2308
184 2E3N 6CM 19.863
185 4GBD MCF 20
186 1N5S ADL 21.4286
187 4RPL FAD 25.3425
188 4RPL 3UC 25.3425
189 1F0X FAD 25.3425
190 2HFP NSI 28.5714
191 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 29.4118
192 2DYR TGL 29.7872
193 2DYS PGV 29.7872
194 5ZCO PGV 29.7872
195 2DYR PGV 29.7872
196 5Z84 PGV 29.7872
197 2DYS TGL 29.7872
198 5Z84 TGL 29.7872
199 5ZCO TGL 29.7872
200 5U98 1KX 37.3737
201 5LX9 OLB 39.4366
202 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 46.5517
203 3HUJ AGH 47.4178
204 3RUG DB6 47.4178
205 5UNJ RJW 50
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