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Receptor
PDB id Resolution Class Description Source Keywords
5IJJ 1.95 Å NON-ENZYME: OTHER STRUCTURE OF THE SPX DOMAIN OF CHAETOMIUM THERMOPHILUM GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE 1 IN COMPLEX WITH IH EXAKISPHOSPHATE (INSP6) CHAETOMIUM THERMOPHILUM HELICAL BUNDLE ALPHA-HELICAL HAIRPIN INOSITOL PHOSPHATE BIPROTEIN-PROTEIN INTERACTION HYDROLASE INOSITOL POLYPHOSPHBINDING PROTEIN
Ref.: CONTROL OF EUKARYOTIC PHOSPHATE HOMEOSTASIS BY INOS POLYPHOSPHATE SENSOR DOMAINS. SCIENCE V. 352 986 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:502;
A:502;
B:503;
A:501;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
I6P A:500;
B:500;
B:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
660.035 C6 H18 O24 P6 C1(C(...
ACT A:503;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IJJ 1.95 Å NON-ENZYME: OTHER STRUCTURE OF THE SPX DOMAIN OF CHAETOMIUM THERMOPHILUM GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE 1 IN COMPLEX WITH IH EXAKISPHOSPHATE (INSP6) CHAETOMIUM THERMOPHILUM HELICAL BUNDLE ALPHA-HELICAL HAIRPIN INOSITOL PHOSPHATE BIPROTEIN-PROTEIN INTERACTION HYDROLASE INOSITOL POLYPHOSPHBINDING PROTEIN
Ref.: CONTROL OF EUKARYOTIC PHOSPHATE HOMEOSTASIS BY INOS POLYPHOSPHATE SENSOR DOMAINS. SCIENCE V. 352 986 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5IJJ - I6P C6 H18 O24 P6 C1(C(C(C(C....
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 5IJJ - I6P C6 H18 O24 P6 C1(C(C(C(C....
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 5IJJ - I6P C6 H18 O24 P6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I6P; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 IHP 1 1
2 I6P 1 1
3 5IP 0.652174 1
4 5MY 0.652174 1
5 IP5 0.652174 1
6 I5P 0.652174 1
7 I0P 0.608696 0.965517
8 I8P 0.6 0.965517
9 2YN 0.6 0.965517
10 I7P 0.6 0.965517
11 I4P 0.571429 1
12 5A2 0.555556 0.8
13 4WZ 0.555556 0.8
14 5A3 0.555556 0.8
15 2IP 0.545455 0.933333
16 4IP 0.538462 0.965517
17 ITP 0.52 0.933333
18 IP2 0.5 0.933333
19 I3S 0.481481 0.933333
20 I3P 0.481481 0.933333
21 I4D 0.48 0.9
22 0EJ 0.46875 0.823529
23 4WY 0.454545 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IJJ; Ligand: I6P; Similar sites found with APoc: 178
This union binding pocket(no: 1) in the query (biounit: 5ijj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5K53 STE None
2 4WG0 CHD None
3 4RC8 STE 1.04167
4 3ROE THM 1.04167
5 4ORR PE3 1.05263
6 5UGW GSH 1.14286
7 2BW7 APC 1.36986
8 2BW7 ECS 1.36986
9 1ZIN AP5 1.5625
10 5UY8 8UM 1.5625
11 1NF8 BOG 1.5625
12 5UY8 AMZ 1.5625
13 1IV2 CDP 1.97368
14 3TDC 0EU 2.08333
15 5NE5 KIF 2.08333
16 5KOR GDP 2.08333
17 2JBZ COA 2.0979
18 1OUK 084 2.60417
19 1QF9 C5P 2.60417
20 1QF9 ADP 2.60417
21 1QF9 ALF 2.60417
22 2Y31 SMQ 2.60417
23 2BUP ADP 2.60417
24 2BUP ATP 2.60417
25 2NPA MMB 2.60417
26 1GY8 NAD 2.60417
27 4DR9 BB2 2.60417
28 2YOO K2B 2.60417
29 4WGF HX2 2.60417
30 2HW2 RFP 2.7972
31 1UUY PPI 2.99401
32 2BCG GER 3.125
33 5WX3 COA 3.125
34 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.125
35 5C1M OLC 3.125
36 5IKH 6BW 3.125
37 2IZ1 ATR 3.125
38 1K7L 544 3.125
39 2IZ1 RES 3.125
40 5K13 6Q7 3.125
41 5D9J 0N8 3.20856
42 5NM7 GLY 3.64583
43 3FAL LO2 3.64583
44 5K52 OCD 3.64583
45 6GL8 F3Q 3.64583
46 2FV5 541 3.64583
47 1YP4 ADP 3.64583
48 1PGP 6PG 3.64583
49 5OYH T99 3.64583
50 3EHH ADP 3.64583
51 4V2O CLQ 3.65854
52 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.76569
53 5G3N X28 3.93701
54 5AZC PGT 4.16667
55 4HBM 0Y7 4.16667
56 3BEJ MUF 4.16667
57 3M31 FAD 4.16667
58 2EVL GAL SPH EIC 4.16667
59 1UPF URF 4.16667
60 1Z83 AP5 4.16667
61 5J6A P46 4.16667
62 2GWH PCI 4.16667
63 3QM1 ZYC 4.16667
64 3OKI OKI 4.16667
65 1RC0 KT5 4.16667
66 3N17 NAG NAG 4.16667
67 2VBQ BSJ 4.24242
68 1JGS SAL 4.34783
69 3E70 GDP 4.6875
70 4OIV XX9 4.6875
71 4UCC ZKW 4.6875
72 3WCA FPS 4.6875
73 4B7H NDP 4.6875
74 4WT2 3UD 4.7619
75 3E2M E2M 4.86486
76 5LOF 70R 5.20833
77 2X5W K2B 5.20833
78 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 5.20833
79 3HCN CHD 5.20833
80 1L8N GCW 5.20833
81 1VHT BA3 5.20833
82 6CAY ERG 5.32544
83 2UZH CDP 5.45455
84 3EHG ATP 5.46875
85 4MKF AP5 5.52995
86 5W7B MYR 5.72917
87 1OWB NAD 5.72917
88 4B4D FAD 5.72917
89 6BYM HC3 5.72917
90 1M4I PAP 6.07735
91 1M4I COA 6.07735
92 1M4I KAN 6.07735
93 1M2Z BOG 6.25
94 1R6N 434 6.25
95 2D3M COA 6.25
96 5LX9 OLB 6.25
97 6C1R EFD 6.25
98 5B4B LP5 6.25
99 2BIF BOG 6.25
100 3FWN ATR 6.25
101 3FWN 6PG 6.25
102 1RQJ RIS 6.25
103 1X0P FAD 6.29371
104 1YBU APC 6.52174
105 5W8Q BU4 6.77083
106 5N5U 7N8 6.77083
107 5N5U AMP 6.77083
108 5LGA 6VH 6.77083
109 1T0S BML 6.97674
110 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 7.07071
111 3QKD HI0 7.18232
112 1IZC PYR 7.29167
113 4M4Q 21A 7.29167
114 4IO2 GLU 7.29167
115 3SIX GDP 7.29167
116 4RW3 TDA 7.8125
117 4RW3 PLM 7.8125
118 4LY9 1YY 7.8125
119 4LY9 S6P 7.8125
120 3GBR PRP 7.8125
121 1TV5 N8E 7.8125
122 2QJY SMA 7.8125
123 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 8.33333
124 2ZKJ ADP 8.33333
125 3LDW ZOL 8.33333
126 2C2A ADP 8.33333
127 3E7O 35F 8.33333
128 4URX FK1 8.64865
129 5NKB 8ZT 8.85417
130 3PNL ADP 9.375
131 1UBY DMA 9.375
132 6EQ8 BQZ 9.375
133 2H7C COA 9.375
134 1L6O SER LEU LYS LEU MET THR THR VAL 9.47368
135 5OCA 9QZ 9.52381
136 2HFP NSI 9.89583
137 2P4Y C03 9.89583
138 4H6U ACO 9.89583
139 4BFW ZVW 9.89583
140 1P72 ADP 10.4167
141 1EE0 CAA 10.4167
142 4J75 TYM 10.4167
143 1RJD SAM 10.9375
144 3KFC 61X 10.9375
145 2O5L MNR 11.1111
146 3KP6 SAL 11.2583
147 2QQC AG2 11.3208
148 2QQD AG2 11.3208
149 1MT1 AG2 11.5385
150 1N13 AG2 11.5385
151 1J78 OLA 11.9792
152 4B5P ACO 12.5
153 2ZCQ B65 12.5
154 4URL XAM 12.5
155 5NWI TYR PHE SER SEP ASN 13.0208
156 3AWJ COA 13.0208
157 4OGQ 1O2 13.4078
158 2A06 SMA 13.6364
159 4KVL PLM 14.5833
160 6H21 UD1 14.5833
161 1W96 S1A 14.5833
162 5G57 6M5 18.75
163 5ZCO CHD 20.1835
164 2DYS TGL 20.1835
165 5Z84 TGL 20.1835
166 5ZCO TGL 20.1835
167 2DYR TGL 20.1835
168 5Z84 PSC 20.1835
169 5ZCO PSC 20.1835
170 5Z84 CHD 20.1835
171 3CXH SMA 20.5479
172 3CX5 SMA 20.5479
173 4A7W GTP 20.8333
174 4KWD JF2 20.8333
175 5EY0 GTP 23.9583
176 5M36 9SZ 26.3158
177 5LJ0 6XX 30.7692
178 1UO5 PIH 47.0588
Pocket No.: 2; Query (leader) PDB : 5IJJ; Ligand: I6P; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5ijj.bio2) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 5D9X GSH 10.4167
Pocket No.: 3; Query (leader) PDB : 5IJJ; Ligand: I6P; 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: 5ijj.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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