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 1256 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 1068 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 922 families.
1 2X0K - PPV H4 O7 P2 OP(=O)(O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPV; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PPV 1 1
2 PIS 0.642857 0.84
3 3PO 0.6 1
4 PPK 0.473684 0.7
5 POP 0.466667 0.909091
6 XPO 0.411765 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 2x0k.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BXG NAD 0.01685 0.41582 1.18343
2 4DXJ IPE 0.02413 0.40811 2.07101
3 3NC9 TR3 0.02716 0.40186 3.19489
4 5DEX 5E0 0.03664 0.41539 3.42466
5 1WUU GLA 0.01141 0.41623 3.84615
6 3GGU 017 0.04629 0.40214 4.0404
7 4NAT ADP 0.0004138 0.53375 4.375
8 4NAT 2W5 0.0001246 0.53375 4.375
9 1TDF FAD 0.0473 0.41373 4.74684
10 1YUM NCN 0.003365 0.4492 16.1157
Pocket No.: 2; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found: 154
This union binding pocket(no: 3) in the query (biounit: 2x0k.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.01116 0.41934 None
2 1UO5 PIH 0.03341 0.40314 None
3 2AEB ABH 0.002061 0.45398 1.24224
4 1HEX NAD 0.01784 0.40519 1.47929
5 4N02 FNR 0.00005631 0.54561 1.77515
6 1O9U ADZ 0.002434 0.44289 1.77515
7 3VCA PRO 0.0006623 0.43298 1.77515
8 4G10 GSH 0.004529 0.41404 1.88679
9 1XHL NDP 0.0203 0.40753 2.0202
10 1OMZ UD2 0.002379 0.46159 2.04778
11 1NU4 MLA 0.003004 0.4581 2.06186
12 1SAZ ACP 0.007643 0.45771 2.07101
13 1ZFJ IMP 0.04595 0.42611 2.07101
14 2PTZ PAH 0.00529 0.41124 2.08333
15 1JN2 SFP 0.007087 0.46537 2.1097
16 2C4I BTN 0.004778 0.41307 2.21402
17 3VHZ L2P GLC MAN SGA 0.004938 0.46255 2.29008
18 3VHZ SOG 0.02695 0.42392 2.29008
19 4TSK NDP 0.0002444 0.51907 2.36686
20 3L6R MLI 0.005167 0.41269 2.36686
21 1M1B SPV 0.004962 0.40117 2.37288
22 1A5Z OXM 0.001376 0.44574 2.50784
23 2BZ1 TAU 0.004039 0.45138 2.55102
24 1QH9 LAC 0.002313 0.42093 2.58621
25 3CL7 HYN 0.001189 0.45213 2.5974
26 4AF5 CIT 0.002171 0.42208 2.63158
27 1Z42 HBA 0.0005533 0.50455 2.66272
28 3B9Z CO2 0.0001735 0.46794 2.66272
29 4PO2 ASN ARG LEU LEU LEU THR GLY 0.006822 0.41602 2.66272
30 4LNL PLG 0.003543 0.41621 2.7027
31 2XI7 XI7 0.0002845 0.51156 2.71739
32 4DQ2 BTX 0.003598 0.43727 2.7439
33 1NML CIT 0.0006268 0.42848 2.76074
34 2H6B 3C4 0.007515 0.44659 2.8
35 3MBG FAD 0.01062 0.41235 2.8777
36 2DWU DGL 0.0007268 0.41641 2.89855
37 1JA9 NDP 0.001068 0.49587 2.91971
38 1JA9 PYQ 0.002274 0.44606 2.91971
39 2EB5 OXL 0.001516 0.4286 2.99625
40 4B16 NAG 0.003675 0.44336 3.00752
41 9LDB OXM 0.003057 0.44733 3.01205
42 9LDT OXM 0.02214 0.40446 3.01205
43 3EJ0 11X 0.00126 0.42194 3.06122
44 1V5F FAD 0.002199 0.50773 3.25444
45 1V5F TPP 0.002199 0.50773 3.25444
46 1H16 PYR 0.003266 0.42871 3.25444
47 2ZJ3 G6P 0.003882 0.42292 3.25444
48 2BLE 5GP 0.001125 0.489 3.26975
49 4HGP KDO 0.02794 0.40446 3.33333
50 1LDM OXM 0.0007188 0.40736 3.34347
51 3CEV ARG 0.001053 0.41182 3.34448
52 2OHV NHL 0.001506 0.40325 3.40909
53 3CBG 4FE 0.001571 0.4617 3.44828
54 1XX4 BAM 0.002417 0.44303 3.44828
55 3ZPG 5GP 0.00267 0.44098 3.5503
56 3L24 GOA 0.008523 0.41706 3.5503
57 4GYW UDP 0.01506 0.41452 3.5503
58 4NES UDP 0.006545 0.40946 3.5503
59 4COQ SAN 0.005238 0.40607 3.5503
60 3WUD GLC GAL 0.00782 0.41149 3.67647
61 1Y0L HAN 0.02532 0.40154 3.7037
62 2YD6 FLC 0.001285 0.49872 3.77358
63 1Y1A GSH 0.006641 0.43968 3.82514
64 3F81 STT 0.006611 0.4223 3.82514
65 2V5K OXM 0.0002514 0.41581 3.83275
66 1MG1 MAL 0.001202 0.44836 3.84615
67 4HA6 PXM 0.002608 0.41243 3.84615
68 2Y6P CTP 0.0007619 0.40876 3.84615
69 4CCO OGA 0.002252 0.40755 3.84615
70 3UH0 TSB 0.01266 0.40604 3.84615
71 2PAR TMP 0.04424 0.40199 3.9801
72 3K3G MMU 0.00009332 0.4666 4.14201
73 1PEA ACM 0.005452 0.41861 4.14201
74 1UUY PPI 0.0001373 0.402 4.19162
75 2QIA U20 0.0003605 0.50795 4.19847
76 3S9K CIT 0.002905 0.47722 4.23729
77 1RRC ADP 0.001819 0.44065 4.31894
78 1A8S PPI 0.0004184 0.41192 4.3956
79 5D63 FUC GLA GLA 0.005233 0.40609 4.43686
80 1FIQ MTE 0.007179 0.42532 4.43787
81 1TV5 ORO 0.00005585 0.41363 4.43787
82 2YIV NBN 0.005266 0.41233 4.43787
83 1FIQ FAD 0.02343 0.40691 4.43787
84 1OFH ADP 0.00009093 0.50237 4.51613
85 1RY2 AMP 0.001117 0.45498 4.73373
86 3TKA CTN 0.005048 0.43983 4.73373
87 4G1V FAD 0.0194 0.40357 4.73373
88 1TDF NAP 0.006088 0.46027 4.74684
89 4BAS GNP 0.0053 0.419 5.02513
90 2PWY SAH 0.01254 0.40623 5.03876
91 4F2Q QUS 0.0004431 0.4007 5.03876
92 3NOJ PYR 0.00005955 0.47431 5.04202
93 1SBZ FMN 0.0008575 0.46908 5.07614
94 2Q1A 2KT 0.004305 0.40964 5.11945
95 1Z6K OAA 0.0009422 0.40027 5.11945
96 3H86 AP5 0.0001166 0.52505 5.20833
97 3C1O NAP 0.008791 0.41445 5.29595
98 43CA NPO 0.03237 0.40785 5.30973
99 2VJJ RAM GLC GAL NAG NAG GLC 0.0005329 0.49718 5.32544
100 1R37 NAD 0.009366 0.42496 5.32544
101 1P9P SAH 0.0002264 0.47941 5.36398
102 5YAS FAC 0.004683 0.40637 5.44747
103 2NZ2 ASP 0.0001078 0.45718 5.6213
104 2BGM NAJ 0.001716 0.47869 5.7554
105 1SS4 CIT 0.005022 0.4708 5.88235
106 3IB9 BTN 0.001131 0.4454 5.91716
107 2IZ1 ATR 0.00281 0.41739 5.91716
108 1P9B HDA 0.00414 0.40434 5.91716
109 3PJU C2E 0.01536 0.40673 6.0241
110 1GAD NAD 0.01728 0.40448 6.06061
111 3I7S PYR 0.0051 0.41992 6.16438
112 4O8A 2OP 0.006372 0.42306 6.21302
113 1RYI GOA 0.0248 0.41294 6.21302
114 4W6Z ETF 0.0122 0.40269 6.21302
115 3VPD CIT 0.001891 0.4577 6.40569
116 3VPD BUA 0.02939 0.40477 6.40569
117 2XDQ MGX 0.0002175 0.49257 6.50888
118 2FWP ICR 0.0001712 0.50463 6.55738
119 2FWP CIT 0.002348 0.44822 6.55738
120 1SOW OXL 0.005121 0.42757 6.70732
121 1W55 C 0.006414 0.44512 6.80473
122 1B74 DGN 0.001845 0.43997 7.08661
123 3A8U PLP 0.002818 0.43589 7.10059
124 1Q3Q ANP 0.00001267 0.58037 7.69231
125 4JCA CIT 0.004814 0.43753 7.78443
126 1NPL MAN 0.003777 0.41202 8.25688
127 4USQ FAD 0.008988 0.42577 8.28402
128 3QDY CBS 0.004739 0.41433 8.39161
129 3QDV NDG 0.007278 0.4062 8.39161
130 3VKX T3 0.001617 0.44001 8.42912
131 1LTH FBP 0.001159 0.43348 8.46395
132 1NXJ GLV 0.0005312 0.42034 8.74317
133 2DKH FAD 0.02394 0.40541 8.87574
134 4TMK T5A 0.002896 0.49195 8.92019
135 1RYD GLC 0.003349 0.41421 9.1716
136 2Q8H TF4 0.01485 0.40557 9.1716
137 4LWM MHO 0.02028 0.40623 9.21659
138 4RJK PYR 0.001196 0.4485 9.46746
139 2VDJ HSE 0.002671 0.43268 9.63455
140 4OYA 1VE 0.001219 0.50688 10.0592
141 1ECM TSA 0.001994 0.40072 10.0917
142 1DXY COI 0.004039 0.43245 10.2102
143 2EFJ SAH 0.004672 0.41559 10.355
144 1QO0 BMD 0.0008771 0.43854 11.7347
145 1HQL GLA MBG 0.00703 0.40686 12.0623
146 1FWE HAE 0.0009286 0.41476 12.2642
147 3IHB TRS 0.0003316 0.49585 13.0178
148 1GVF PGH 0.002686 0.40432 13.2867
149 2F01 BTQ 0.02696 0.4257 13.3858
150 2F01 BTN 0.02696 0.4257 13.3858
151 2PNZ 5GP 0.0004474 0.42254 14.4404
152 2HVK TBA 0.002494 0.41956 16.9355
153 2VQ5 LDP 0.01084 0.41208 19.403
154 4Q3F TLA 0.004334 0.40952 19.6581
Pocket No.: 4; Query (leader) PDB : 2X0K; Ligand: PPV; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 2x0k.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FED BIX 0.02124 0.44069 2.66272
2 2RCU BUJ 0.04359 0.41585 4.14201
3 1FIQ SAL 0.04621 0.40319 4.43787
4 1DRY AAG 0.03527 0.42398 4.62963
5 1VG0 GDP 0.02034 0.41644 7.39645
6 1VG9 GDP 0.02311 0.40431 7.39645
7 1KQN NAD 0.004455 0.42408 11.828
8 3S43 478 0.01681 0.42358 15.1515
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