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Receptor
PDB id Resolution Class Description Source Keywords
5C79 1.6 Å NON-ENZYME: OTHER PH DOMAIN OF ASAP1 IN COMPLEX WITH DIC4-PTDINS(4,5)P2 MUS MUSCULUS PH DOMAIN DIC4-PTDINS(4 5)P2 SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR COOPERATIVE BINDING OF ANIONIC PHOSPHOLIPIDS TO THE PH DOMAIN OF THE ARF GAP ASAP1 STRUCTURE V. 23 1977 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:501;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PBU B:502;
B:503;
A:800;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 7 uM
634.354 C17 H33 O19 P3 CCCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C79 1.6 Å NON-ENZYME: OTHER PH DOMAIN OF ASAP1 IN COMPLEX WITH DIC4-PTDINS(4,5)P2 MUS MUSCULUS PH DOMAIN DIC4-PTDINS(4 5)P2 SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR COOPERATIVE BINDING OF ANIONIC PHOSPHOLIPIDS TO THE PH DOMAIN OF THE ARF GAP ASAP1 STRUCTURE V. 23 1977 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5C79 Kd = 7 uM PBU C17 H33 O19 P3 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5C79 Kd = 7 uM PBU C17 H33 O19 P3 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5C79 Kd = 7 uM PBU C17 H33 O19 P3 CCCC(=O)OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PBU; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 PBU 1 1
2 DB4 0.84127 1
3 5P5 0.818182 1
4 PIB 0.818182 1
5 52N 0.753425 0.938776
6 PIO 0.753425 0.938776
7 PIF 0.644737 0.938776
8 IP9 0.641026 0.918367
9 PIZ 0.632911 0.918367
10 4PT 0.602564 0.9375
11 PII 0.576923 0.918367
12 3PI 0.571429 0.957447
13 B7N 0.517241 0.9
14 T7X 0.478723 0.9
15 IBS 0.450704 0.787234
16 PSF 0.444444 0.684211
17 44E 0.432432 0.795918
18 P5S 0.423529 0.684211
19 PD7 0.421053 0.795918
20 CN3 0.420455 0.76
21 44G 0.419753 0.764706
22 CN6 0.413793 0.76
23 6PH 0.410256 0.795918
24 LPP 0.410256 0.795918
25 F57 0.410256 0.795918
26 3PH 0.410256 0.795918
27 7PH 0.410256 0.795918
28 CD4 0.409639 0.76
29 7P9 0.405063 0.795918
30 8PE 0.404762 0.644068
31 PEF 0.404762 0.644068
32 PEH 0.404762 0.644068
33 PTY 0.404762 0.644068
34 PEV 0.404762 0.644068
35 PEE 0.4 0.633333
36 LHG 0.4 0.764706
37 9PE 0.4 0.644068
38 PGT 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5C79; Ligand: PBU; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 5c79.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4R5Z PMP None
2 4FC7 NAP 2.66667
3 4FC7 COA 2.66667
4 1M9H NAD 2.66667
5 5XQW 8EU 4
6 2IFW ACE PHE LYS PHE PSA LEU AAR 4.66667
7 1E1O LYS 4.66667
8 5WM2 SAL 4.66667
9 1B55 4IP 5.33333
10 3ZXR P3S 7.33333
11 3ZXR IQ1 7.33333
12 1MAI I3P 7.63359
13 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 9.18367
14 2CWH PYC 12.6667
15 2FB3 GTP 35.3333
16 1UNQ 4IP 40.8
Pocket No.: 2; Query (leader) PDB : 5C79; Ligand: PBU; Similar sites found with APoc: 138
This union binding pocket(no: 2) in the query (biounit: 5c79.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0B 9FE None
2 3KV8 FAH None
3 3SJK LYS PRO VAL LEU ARG THR ALA None
4 3BEO UD1 1.33333
5 2WOE AR6 2
6 2ZRU FMN 2
7 5KL0 G16 2
8 3P7G MAN 2.05479
9 2WAT COA 2.45902
10 1TMM APC 2.66667
11 1TMM HHR 2.66667
12 3UOY FAD 2.66667
13 3UOY NAP 2.66667
14 5FRD COA 2.66667
15 3QXY SAM 2.66667
16 4YT4 FE9 2.66667
17 5USZ SKE 2.66667
18 2DXU BT5 2.66667
19 4H1V GNP 2.71003
20 4XF6 ADP 3.33333
21 4XF6 INS 3.33333
22 4XF6 LIP 3.33333
23 2AL2 2PG 3.33333
24 2AL2 PEP 3.33333
25 1EBG PAH 3.33333
26 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 3.33333
27 5BO9 SIA GAL NGS 3.33333
28 4NFN 2KC 3.33333
29 2AQX ATP 3.33333
30 1WXI AMP 3.63636
31 1EXF GLY 4
32 2IHK CSF 4
33 4X9M FAD 4
34 3BZ3 YAM 4
35 1O9U ADZ 4
36 1DY4 SNP 4
37 1RC0 KT5 4
38 2FTB OLA 4
39 1SL6 GAL NDG FUC 4
40 1TLG GAL 4
41 3X01 AMP 4
42 4HZD COA 4
43 3TTC ADP 4
44 1AL8 DHP 4
45 1SQL GUN 4.10959
46 2GJ5 VD3 4.66667
47 5CFT 51G 4.66667
48 5CFT APC 4.66667
49 4DQ2 BTX 4.66667
50 5L13 6ZE 4.66667
51 2WQP WQP 4.66667
52 1JBU BEN 4.66667
53 2FXU ATP 4.66667
54 5Y2W PGA 4.66667
55 5FFF NAP 4.66667
56 3B9O FMN 4.66667
57 4M0R 644 4.74934
58 4U31 MVP 4.83162
59 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 4.91803
60 2V2V V12 5.33333
61 4ZCW 4NG 5.33333
62 2VUT NAD 5.33333
63 2RAB NAD 5.33333
64 8CAT NDP 5.33333
65 5DEY 59T 5.33333
66 2RAB FAD 5.33333
67 4B7H NDP 5.33333
68 3UR0 SVR 5.33333
69 4Z87 GDP 5.33333
70 4POJ 2VP 5.33333
71 4M8E 29V 5.33333
72 2OFV 242 5.33333
73 1VLH PNS 5.33333
74 4JGP PYR 5.33333
75 3WV1 WHH 5.84795
76 2WME NAP 6
77 2WOX NDP 6
78 2Z49 AMG 6
79 4COL DTP 6
80 1QB7 ADE 6
81 1PZM 5GP 6
82 2Z48 NGA 6
83 1K4M CIT 6.57277
84 2WTX UDP 6.66667
85 2WTX VDO 6.66667
86 4F97 VDO 6.66667
87 4YDQ ANP 6.66667
88 4YDQ HFG 6.66667
89 2J7T 274 6.66667
90 2OFW ADX 6.66667
91 1GAR U89 7.33333
92 1SL4 MAN MAN MAN MAN 7.33333
93 5KBZ 3B2 7.33333
94 6DVH FMN 7.33333
95 4WQQ MAN 8
96 4IE6 UN9 8
97 2Q6B HR2 8
98 5AX9 4KT 8
99 4PU5 ANP 8
100 1P19 IMP 8
101 4A3R CIT 8.66667
102 1U59 STU 8.66667
103 4RHY 3QG 8.66667
104 1OPK P16 8.66667
105 4ZAH T5K 8.66667
106 4XJC TTP 9.33333
107 3ACC 5GP 9.33333
108 5J5Z FAD 9.33333
109 4JOB TLA 9.33333
110 2DFV NAD 10
111 1NJF ADP 10
112 3T0W DIW 10.5691
113 1YQS BSA 10.6667
114 1ST0 GTG 10.6667
115 5L4L NAP 10.6667
116 6BSX E7S 11.236
117 2PTZ PAH 11.3333
118 1RM0 D6P 11.3333
119 4INI AMP 11.5385
120 1N0U SO1 12
121 6FCX FAD 12
122 4O67 1SY 12
123 3QFA FAD 13.3333
124 5AVF TAU 13.3333
125 2H04 4UN 13.3333
126 6ER9 NAP 14
127 5FM0 WAQ 14
128 4N02 FNR 14.6667
129 5LNQ CAA 17.3333
130 1NME 159 17.3913
131 1FHX 4IP 17.8295
132 1U29 I3P 17.8295
133 1T90 NAD 18
134 2E5V FAD 19.3333
135 1HGX 5GP 21.3333
136 5UCD NAP 23.3333
137 1FAO 4IP 31.746
138 1UPR 4IP 33.3333
Pocket No.: 3; Query (leader) PDB : 5C79; Ligand: PBU; 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: 5c79.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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