Receptor
PDB id Resolution Class Description Source Keywords
6C9B 1.69 Å EC: 3.-.-.- THE STRUCTURE OF MPPP SOAKED WITH THE PRODUCTS 4HKA AND 2KA STREPTOMYCES WADAYAMENSIS DIMER PRODUCT 4HKA BINDING COMPLEX OXIDASE PLP ANTIBIOTIOXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: STREPTOMYCES WADAYAMENSIS MPPP IS A PLP-DEPENDENT O NOT AN OXYGENASE. BIOCHEMISTRY V. 57 3252 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL C:401;
A:401;
D:401;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
35.453 Cl [Cl-]
EGV B:401;
 Valid;
 none;
 submit data
189.169 C6 H11 N3 O4 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C9B 1.69 Å EC: 3.-.-.- THE STRUCTURE OF MPPP SOAKED WITH THE PRODUCTS 4HKA AND 2KA STREPTOMYCES WADAYAMENSIS DIMER PRODUCT 4HKA BINDING COMPLEX OXIDASE PLP ANTIBIOTIOXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: STREPTOMYCES WADAYAMENSIS MPPP IS A PLP-DEPENDENT O NOT AN OXYGENASE. BIOCHEMISTRY V. 57 3252 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5BK7 - EQJ C14 H22 N5 O7 P [H]/N=C(/N....
2 6C9B - EGV C6 H11 N3 O4 [H]/N=C(/N....
3 5DJ3 - 5DK C14 H22 N5 O7 P [H]/N=C(N)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5BK7 - EQJ C14 H22 N5 O7 P [H]/N=C(/N....
2 6C9B - EGV C6 H11 N3 O4 [H]/N=C(/N....
3 5DJ3 - 5DK C14 H22 N5 O7 P [H]/N=C(N)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5BK7 - EQJ C14 H22 N5 O7 P [H]/N=C(/N....
2 6C9B - EGV C6 H11 N3 O4 [H]/N=C(/N....
3 5DJ3 - 5DK C14 H22 N5 O7 P [H]/N=C(N)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EGV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EGV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EGV; Similar ligands found: 269
No: Ligand Similarity coefficient
1 DAR 0.9524
2 IAR 0.9523
3 ARG 0.9522
4 ILO 0.9510
5 CIR 0.9504
6 NMM 0.9461
7 E8U 0.9424
8 26P 0.9377
9 TYR 0.9327
10 HSA 0.9321
11 GVA 0.9313
12 GGB 0.9310
13 HAR 0.9293
14 4JK 0.9282
15 WT2 0.9281
16 KDG 0.9275
17 VUR 0.9243
18 J9Y 0.9241
19 NFZ 0.9237
20 XI7 0.9222
21 ENO 0.9209
22 ALA GLU 0.9206
23 JX7 0.9193
24 PA5 0.9169
25 ALA GLN 0.9168
26 GLR 0.9159
27 ENW 0.9147
28 GLY GLY GLY 0.9140
29 11C 0.9135
30 MGB 0.9126
31 KLS 0.9111
32 G14 0.9111
33 5RP 0.9110
34 TEG 0.9106
35 9J6 0.9100
36 2J3 0.9090
37 API 0.9086
38 YZM 0.9082
39 GGG 0.9078
40 HL4 0.9074
41 ZZA 0.9067
42 6HN 0.9066
43 CS2 0.9062
44 ODK 0.9061
45 EXY 0.9054
46 DA3 0.9050
47 S7D 0.9044
48 GRQ 0.9044
49 6C4 0.9035
50 DXG 0.9028
51 2OR 0.9025
52 D8Q 0.9024
53 RES 0.9015
54 LGT 0.9014
55 OJD 0.9013
56 3KJ 0.9012
57 7O4 0.9011
58 2FX 0.9007
59 DA2 0.9006
60 0OY 0.9002
61 DXP 0.8999
62 LZ5 0.8998
63 ENV 0.8994
64 OCA 0.8986
65 3GZ 0.8984
66 S6P 0.8983
67 4TB 0.8983
68 SOJ 0.8977
69 M6R 0.8975
70 64Z 0.8973
71 BZQ 0.8973
72 PRO GLY 0.8972
73 ZZU 0.8972
74 0QA 0.8972
75 G6Q 0.8968
76 KAP 0.8968
77 1PS 0.8967
78 AQQ 0.8964
79 MLZ 0.8964
80 MD6 0.8958
81 SB7 0.8956
82 OOG 0.8956
83 KPV 0.8955
84 BSA 0.8954
85 2NP 0.8948
86 MF3 0.8948
87 HLP 0.8944
88 11X 0.8942
89 ASF 0.8938
90 NPI 0.8937
91 6MW 0.8932
92 4YZ 0.8931
93 5TO 0.8931
94 6FG 0.8931
95 9VQ 0.8930
96 MLY 0.8923
97 M1T 0.8921
98 5DL 0.8916
99 NBB 0.8916
100 PML 0.8904
101 D1G 0.8902
102 DHH 0.8892
103 MKN 0.8891
104 GHQ 0.8888
105 LPA 0.8886
106 2MR 0.8883
107 SSC 0.8883
108 ALE 0.8883
109 4ZD 0.8882
110 NNH 0.8880
111 R52 0.8877
112 FIX 0.8875
113 DMA 0.8875
114 0L1 0.8872
115 DX5 0.8872
116 P93 0.8869
117 6C9 0.8869
118 5PV 0.8868
119 A5P 0.8867
120 5LD 0.8866
121 1N5 0.8864
122 GCO 0.8864
123 PBN 0.8864
124 I2E 0.8858
125 8SZ 0.8857
126 A51 0.8854
127 EQW 0.8850
128 MTL 0.8849
129 D2G 0.8848
130 848 0.8846
131 LVD 0.8844
132 7UC 0.8840
133 7BC 0.8838
134 3VW 0.8836
135 1HR 0.8829
136 36M 0.8823
137 HRG 0.8823
138 HL6 0.8818
139 NK5 0.8817
140 TX4 0.8817
141 7MW 0.8814
142 4BX 0.8814
143 3H2 0.8814
144 DI9 0.8814
145 4DI 0.8813
146 DER 0.8813
147 6C5 0.8801
148 PAN 0.8801
149 8YH 0.8799
150 0OM 0.8799
151 O45 0.8798
152 2JJ 0.8797
153 GAE 0.8796
154 B41 0.8795
155 EYJ 0.8794
156 LYS 0.8792
157 M5B 0.8792
158 5C1 0.8792
159 IPE 0.8790
160 MMS 0.8789
161 BZM 0.8788
162 S0F 0.8783
163 TMG 0.8779
164 3XH 0.8776
165 0ON 0.8776
166 KYN 0.8772
167 22F 0.8772
168 DEZ 0.8771
169 DZA 0.8770
170 EYV 0.8762
171 JF5 0.8760
172 011 0.8760
173 J4K 0.8760
174 27K 0.8759
175 BGT 0.8759
176 FUD 0.8758
177 TZP 0.8757
178 N9J 0.8757
179 REL 0.8756
180 58X 0.8756
181 6L6 0.8753
182 DED 0.8752
183 1L5 0.8751
184 4FP 0.8750
185 YTZ 0.8748
186 P4F 0.8746
187 HS7 0.8743
188 RA7 0.8743
189 HJH 0.8743
190 SZ7 0.8738
191 HNM 0.8733
192 D3G 0.8729
193 HX8 0.8727
194 LPB 0.8727
195 492 0.8727
196 3YP 0.8720
197 LX1 0.8719
198 EQA 0.8718
199 N9M 0.8717
200 GVQ 0.8717
201 Q04 0.8717
202 0NX 0.8716
203 ALY 0.8714
204 2FM 0.8711
205 HJD 0.8710
206 SOR 0.8708
207 HPO 0.8705
208 YE6 0.8703
209 HPL 0.8702
210 N8C 0.8701
211 PMV 0.8698
212 AHL 0.8693
213 37E 0.8690
214 TZM 0.8687
215 ATX 0.8687
216 CUW 0.8685
217 QUS 0.8685
218 SB9 0.8682
219 DIR 0.8678
220 H48 0.8674
221 5KJ 0.8670
222 6N4 0.8670
223 GLO 0.8670
224 IBP 0.8669
225 3VQ 0.8668
226 6ZX 0.8668
227 3IP 0.8666
228 5SP 0.8665
229 NOT 0.8664
230 HNE 0.8663
231 OA1 0.8659
232 Z70 0.8658
233 LL2 0.8657
234 3QO 0.8655
235 DY8 0.8653
236 SX2 0.8649
237 VIO 0.8644
238 DNN 0.8643
239 6FR 0.8642
240 RGP 0.8642
241 FHV 0.8642
242 DLT 0.8637
243 D5X 0.8636
244 JGY 0.8635
245 DG6 0.8634
246 TPM 0.8631
247 LXP 0.8624
248 4VY 0.8615
249 BL0 0.8611
250 0OO 0.8611
251 0CG 0.8607
252 19N 0.8604
253 Q06 0.8604
254 E9S 0.8603
255 KMH 0.8601
256 FZ3 0.8597
257 MJW 0.8589
258 SPD 0.8589
259 7XA 0.8579
260 S8G 0.8577
261 QBM 0.8569
262 4A5 0.8568
263 HJ7 0.8548
264 60L 0.8545
265 ZEZ 0.8544
266 7C3 0.8540
267 PSJ 0.8527
268 3VR 0.8523
269 FWD 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C9B; Ligand: EGV; 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: 6c9b.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
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