Receptor
PDB id Resolution Class Description Source Keywords
2X0K 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MODULAR FAD SYNTHETASE FROM CORYNEBACTERIUM AMMONIAGENES CORYNEBACTERIUM AMMONIAGENES RIBOFLAVIN KINASE NUCLEOTIDE-BINDING TRANSFERASE ATP-BINDMULTIFUNCTIONAL ENZYME NUCLEOTIDYLTRANSFERASE
Ref.: OLIGOMERIC STATE IN THE CRYSTAL STRUCTURE OF MODULA SYNTHETASE PROVIDES INSIGHTS INTO ITS SEQUENTIAL CA IN PROKARYOTES J.MOL.BIOL. V. 400 218 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPV A:1340;
B:2340;
Valid;
Valid;
none;
none;
submit data
177.975 H4 O7 P2 OP(=O...
SO4 A:1339;
B:2339;
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
2X0K 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MODULAR FAD SYNTHETASE FROM CORYNEBACTERIUM AMMONIAGENES CORYNEBACTERIUM AMMONIAGENES RIBOFLAVIN KINASE NUCLEOTIDE-BINDING TRANSFERASE ATP-BINDMULTIFUNCTIONAL ENZYME NUCLEOTIDYLTRANSFERASE
Ref.: OLIGOMERIC STATE IN THE CRYSTAL STRUCTURE OF MODULA SYNTHETASE PROVIDES INSIGHTS INTO ITS SEQUENTIAL CA IN PROKARYOTES J.MOL.BIOL. V. 400 218 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PPV; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PPV 1 1
2 PIS 0.642857 0.84
3 3PO 0.6 1
4 6YW 0.529412 1
5 9PI 0.529412 1
6 PPK 0.473684 0.7
7 POP 0.466667 0.909091
8 XPO 0.411765 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: PPV; Similar ligands found: 210
No: Ligand Similarity coefficient
1 2PN 0.9967
2 MDN 0.9931
3 LLQ 0.9603
4 FCN 0.9585
5 S0H 0.9580
6 MPD 0.9559
7 CP 0.9549
8 TB6 0.9547
9 SAT 0.9505
10 PAE 0.9483
11 G2H 0.9450
12 PCT 0.9440
13 OPE 0.9425
14 7VD 0.9391
15 1DQ 0.9385
16 1GP 0.9382
17 PGA 0.9373
18 GG6 0.9334
19 TFS 0.9333
20 PAF 0.9229
21 PSE 0.9226
22 DMV 0.9206
23 PAH 0.9202
24 0V5 0.9200
25 PEQ 0.9200
26 X1S 0.9196
27 SIN 0.9192
28 G3P 0.9190
29 G3H 0.9190
30 4MV 0.9190
31 PPR 0.9185
32 HX2 0.9182
33 MAE 0.9170
34 PEP 0.9159
35 3SL 0.9154
36 ACH 0.9144
37 A20 0.9141
38 MLT 0.9127
39 PRO 0.9121
40 ASP 0.9121
41 ODV 0.9111
42 MLI 0.9109
43 13P 0.9105
44 3PP 0.9101
45 DMG 0.9084
46 MLA 0.9084
47 ASN 0.9076
48 CHT 0.9071
49 ALO 0.9069
50 NMG 0.9063
51 1SH 0.9043
52 COI 0.9041
53 DCL 0.9039
54 FLA 0.9037
55 ITN 0.9035
56 HYP 0.9033
57 8X3 0.9032
58 IVA 0.9023
59 MLM 0.9022
60 AAE 0.9019
61 2HE 0.9011
62 TAU 0.9009
63 THE 0.9005
64 UY7 0.9004
65 LMR 0.9001
66 3HL 0.8995
67 I2M 0.8995
68 C5J 0.8994
69 2RH 0.8991
70 TLA 0.8982
71 VAL 0.8978
72 LEU 0.8974
73 UYA 0.8973
74 XLS 0.8965
75 SPV 0.8965
76 3HR 0.8954
77 JYD 0.8948
78 EFS 0.8947
79 FUM 0.8945
80 TFB 0.8943
81 PYC 0.8942
82 HZP 0.8941
83 3PY 0.8941
84 P22 0.8938
85 CRN 0.8937
86 TZC 0.8936
87 TEO 0.8930
88 H95 0.8929
89 CMS 0.8928
90 3Q7 0.8928
91 P7I 0.8921
92 FMS 0.8914
93 1DV 0.8910
94 P2D 0.8907
95 COM 0.8907
96 ICF 0.8903
97 9X6 0.8898
98 POA 0.8897
99 BAE 0.8897
100 HDA 0.8896
101 AHB 0.8892
102 JBN 0.8892
103 2AS 0.8884
104 911 0.8880
105 TAR 0.8879
106 DAS 0.8878
107 VAH 0.8877
108 BTL 0.8872
109 XUL 0.8868
110 XYL 0.8866
111 CIZ 0.8865
112 2PG 0.8864
113 RUU 0.8864
114 VX 0.8864
115 THR 0.8862
116 98J 0.8860
117 AC5 0.8859
118 OAA 0.8859
119 IZC 0.8856
120 GLU 0.8855
121 KPL 0.8852
122 2PC 0.8849
123 IHG 0.8844
124 SRT 0.8838
125 DPR 0.8837
126 SEP 0.8837
127 AKB 0.8834
128 ILE 0.8830
129 IPU 0.8823
130 HIO 0.8823
131 GLY ALA 0.8821
132 FOA 0.8815
133 PMB 0.8814
134 FJO 0.8810
135 IQ0 0.8810
136 ETM 0.8803
137 OSE 0.8799
138 SKG 0.8798
139 O7U 0.8797
140 273 0.8787
141 DTL 0.8782
142 RBL 0.8779
143 GP9 0.8778
144 3PG 0.8776
145 IOM 0.8776
146 M6W 0.8770
147 URP 0.8769
148 KIV 0.8769
149 MRY 0.8768
150 T2C 0.8766
151 GLN 0.8760
152 HV2 0.8756
153 EHM 0.8755
154 PRS 0.8749
155 PPF 0.8747
156 FAC 0.8740
157 HSM 0.8728
158 SMV 0.8727
159 265 0.8723
160 C21 0.8714
161 SSN 0.8714
162 GLL 0.8714
163 FSG 0.8713
164 BAM 0.8711
165 TP5 0.8710
166 HYA 0.8710
167 1DU 0.8699
168 ABU 0.8695
169 40E 0.8694
170 HSE 0.8687
171 PCA 0.8687
172 CNL 0.8683
173 LDU 0.8681
174 6PC 0.8677
175 LER 0.8676
176 LNO 0.8671
177 FB2 0.8670
178 SS2 0.8668
179 DSN 0.8662
180 9SB 0.8656
181 HIS 0.8644
182 PBE 0.8642
183 MUC 0.8638
184 SNE 0.8637
185 R1X 0.8635
186 2CO 0.8633
187 7N0 0.8625
188 BEN 0.8625
189 YCP 0.8625
190 M58 0.8625
191 NVA 0.8618
192 SER 0.8609
193 ORN 0.8606
194 RIP 0.8603
195 PZA 0.8601
196 BEZ 0.8592
197 NIO 0.8592
198 NCA 0.8578
199 AT3 0.8576
200 192 0.8576
201 MAK 0.8574
202 DBB 0.8556
203 1AC 0.8553
204 K6H 0.8551
205 WOT 0.8550
206 HY3 0.8542
207 MRZ 0.8541
208 VGL 0.8523
209 UNU 0.8517
210 284 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2X0K; Ligand: PPV; 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: 2x0k.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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