Receptor
PDB id Resolution Class Description Source Keywords
2XDQ 2.4 Å EC: 1.18.-.- DARK OPERATIVE PROTOCHLOROPHYLLIDE OXIDOREDUCTASE (CHLN-CHLB THERMOSYNECHOCOCCUS ELONGATUS OXIDOREDUCTASE DPOR (BACTERIO)CHLOROPHYLL BIOSYNTHESIS PHOTOSYNTHESIS NITROGENASE-LIKE
Ref.: CRYSTAL STRUCTURE OF THE NITROGENASE-LIKE DARK OPER PROTOCHLOROPHYLLIDE OXIDOREDUCTASE CATALYTIC COMPLE (CHLN/CHLB)2. J.BIOL.CHEM. V. 285 27336 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGX A:1463;
Valid;
none;
submit data
73.097 C2 H7 N3 [H]/N...
SF4 A:602;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
SO4 B:1503;
B:1504;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XDQ 2.4 Å EC: 1.18.-.- DARK OPERATIVE PROTOCHLOROPHYLLIDE OXIDOREDUCTASE (CHLN-CHLB THERMOSYNECHOCOCCUS ELONGATUS OXIDOREDUCTASE DPOR (BACTERIO)CHLOROPHYLL BIOSYNTHESIS PHOTOSYNTHESIS NITROGENASE-LIKE
Ref.: CRYSTAL STRUCTURE OF THE NITROGENASE-LIKE DARK OPER PROTOCHLOROPHYLLIDE OXIDOREDUCTASE CATALYTIC COMPLE (CHLN/CHLB)2. J.BIOL.CHEM. V. 285 27336 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XDQ - MGX C2 H7 N3 [H]/N=C(/N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XDQ - MGX C2 H7 N3 [H]/N=C(/N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XDQ - MGX C2 H7 N3 [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MGX; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MGX 1 1
2 EGD 0.470588 0.681818
3 NMU 0.466667 0.619048
4 GAI 0.416667 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: MGX; Similar ligands found: 226
No: Ligand Similarity coefficient
1 HAE 1.0000
2 F3V 1.0000
3 GLY 1.0000
4 GOA 1.0000
5 FAH 1.0000
6 NIE 1.0000
7 PPI 1.0000
8 HVB 1.0000
9 GLV 1.0000
10 AKR 1.0000
11 AGU 1.0000
12 NHY 1.0000
13 ALA 0.9987
14 F50 0.9978
15 61G 0.9972
16 1BP 0.9938
17 ATO 0.9933
18 TSZ 0.9910
19 R3W 0.9876
20 2A1 0.9840
21 TCV 0.9816
22 CP2 0.9704
23 BRP 0.9689
24 GOL 0.9679
25 BXA 0.9670
26 3MT 0.9580
27 ACT 0.9569
28 DAL 0.9558
29 5MP 0.9558
30 PYM 0.9557
31 LAC 0.9554
32 PXO 0.9548
33 2A3 0.9545
34 MEU 0.9543
35 2MZ 0.9539
36 4MZ 0.9537
37 MR3 0.9535
38 2OP 0.9533
39 NIS 0.9533
40 PYR 0.9532
41 1MZ 0.9530
42 ACM 0.9529
43 HOW 0.9529
44 3TR 0.9520
45 OXL 0.9516
46 2AI 0.9515
47 OXM 0.9506
48 MZY 0.9504
49 5KX 0.9503
50 SEY 0.9496
51 BUA 0.9493
52 AXO 0.9483
53 OXD 0.9481
54 AMT 0.9478
55 JZ6 0.9475
56 ABA 0.9465
57 HGY 0.9463
58 MMU 0.9460
59 CYS 0.9460
60 BYZ 0.9434
61 ES3 0.9423
62 BUO 0.9423
63 3GR 0.9419
64 5Y9 0.9409
65 GBL 0.9404
66 BAQ 0.9390
67 PYZ 0.9373
68 AF3 0.9370
69 2HA 0.9352
70 3ZS 0.9346
71 GXV 0.9337
72 NAK 0.9311
73 ATQ 0.9290
74 SAR 0.9280
75 3OH 0.9273
76 BAL 0.9270
77 BU4 0.9267
78 ALQ 0.9263
79 6SP 0.9263
80 CRD 0.9251
81 AOA 0.9241
82 HBR 0.9237
83 1CB 0.9230
84 BMD 0.9227
85 EDO 0.9222
86 QPT 0.9221
87 9A4 0.9220
88 NOE 0.9212
89 ALF 0.9212
90 ETF 0.9210
91 D2P 0.9201
92 OSM 0.9183
93 KCS 0.9183
94 TRI 0.9183
95 PZO 0.9172
96 IPA 0.9170
97 SLP 0.9165
98 HBS 0.9161
99 CNH 0.9153
100 VSO 0.9153
101 TAN 0.9151
102 BEF 0.9150
103 78T 0.9140
104 IMD 0.9138
105 2PO 0.9130
106 HYN 0.9125
107 XIX 0.9121
108 HUH 0.9117
109 TF4 0.9111
110 DXX 0.9110
111 MTG 0.9103
112 DCE 0.9100
113 MZ0 0.9086
114 J3K 0.9079
115 3BB 0.9048
116 ITU 0.9045
117 2KT 0.9037
118 HSW 0.9020
119 DSN 0.9019
120 BRJ 0.9017
121 HIU 0.9015
122 NVI 0.9013
123 TB0 0.9011
124 SER 0.9008
125 24T 0.9005
126 BUB 0.8994
127 1AC 0.8989
128 3CL 0.8980
129 25T 0.8977
130 0PY 0.8975
131 DGY 0.8974
132 P1R 0.8971
133 MMZ 0.8960
134 B20 0.8960
135 MCH 0.8952
136 MSF 0.8950
137 A2Q 0.8944
138 CHT 0.8935
139 KG7 0.8934
140 9PO 0.8930
141 VN4 0.8928
142 7EX 0.8927
143 MTD 0.8919
144 BNZ 0.8919
145 3AP 0.8916
146 CEJ 0.8916
147 HRZ 0.8912
148 MBN 0.8909
149 DMG 0.8908
150 2AP 0.8903
151 HVK 0.8903
152 E60 0.8898
153 HV2 0.8897
154 PHZ 0.8895
155 IPH 0.8891
156 WOT 0.8890
157 4AP 0.8889
158 LGA 0.8888
159 XAP 0.8886
160 DSS 0.8883
161 3BR 0.8882
162 MB3 0.8880
163 DTI 0.8873
164 MLI 0.8868
165 HSL 0.8863
166 1DH 0.8853
167 HUI 0.8840
168 BUQ 0.8839
169 3PY 0.8837
170 03S 0.8836
171 8CL 0.8834
172 HHN 0.8828
173 4AX 0.8824
174 KSW 0.8823
175 CXL 0.8817
176 PIH 0.8815
177 DMI 0.8811
178 BVG 0.8811
179 BVC 0.8810
180 BXO 0.8808
181 GXE 0.8806
182 FW5 0.8788
183 CYH 0.8786
184 MMQ 0.8781
185 TMO 0.8781
186 03W 0.8780
187 A3B 0.8780
188 L60 0.8770
189 C5J 0.8766
190 MLA 0.8764
191 DCY 0.8757
192 ISU 0.8757
193 DE2 0.8751
194 13D 0.8745
195 DBB 0.8742
196 SMB 0.8741
197 8FH 0.8740
198 TTO 0.8737
199 HVQ 0.8732
200 HGW 0.8732
201 FPO 0.8727
202 2EZ 0.8720
203 93B 0.8720
204 2RA 0.8716
205 9A7 0.8713
206 PUT 0.8699
207 PRI 0.8696
208 39J 0.8696
209 XPO 0.8686
210 FJO 0.8684
211 0CL 0.8681
212 2IM 0.8673
213 TAY 0.8670
214 2HP 0.8665
215 HAI 0.8654
216 ETM 0.8638
217 1SP 0.8637
218 3HR 0.8634
219 BTL 0.8618
220 PPF 0.8617
221 ETX 0.8613
222 C2N 0.8595
223 THR 0.8581
224 IVA 0.8553
225 AAE 0.8547
226 P2D 0.8539
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XDQ; Ligand: MGX; 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: 2xdq.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XDQ; Ligand: MGX; 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: 2xdq.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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