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Receptor
PDB id Resolution Class Description Source Keywords
1FHX 2.5 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL 1,3,4,5-TETRAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1001;
B:1002;
Valid;
Valid;
none;
none;
Kd = 0.027 uM
500.075 C6 H16 O18 P4 [C@H]...
SO4 B:2001;
B:2002;
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
1FHX 2.5 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL 1,3,4,5-TETRAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 1FHX Kd = 0.027 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1FHX Kd = 0.027 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 4KAX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 1FHX Kd = 0.027 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 4KAX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3S 0.724138 0.966667
3 I3P 0.724138 0.966667
4 5MY 0.714286 0.965517
5 5IP 0.714286 0.965517
6 IP5 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FHX; Ligand: 4IP; Similar sites found with APoc: 87
This union binding pocket(no: 1) in the query (biounit: 1fhx.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3OYW TDG None
2 3BJK CIT None
3 2FTB OLA None
4 1SLT NDG GAL None
5 2EB5 OXL None
6 5KK4 44E None
7 4M8X KGQ None
8 1PDZ PGA 2.32558
9 4QYS PLP SEP 3.10078
10 5XKT GNP 3.10078
11 4WUJ FMN 3.87597
12 3BOS CDP 3.87597
13 2D3M COA 3.87597
14 6HOY TSN 3.87597
15 6G9I CXX 4.65116
16 5XH2 NPO 4.65116
17 2GJP MAL 4.65116
18 2PTR 2SA 4.65116
19 6E0D XXX 4.65116
20 2ZMF CMP 4.65116
21 4R38 RBF 4.65116
22 5BSR AMP 4.65116
23 3OZV FAD 4.65116
24 1GPM AMP 4.65116
25 5N5S NAP 4.65116
26 2CYE COA 4.65116
27 2W5P CL8 4.65116
28 5C5H 4YB 4.65116
29 5YRG BGC GLC 5.42636
30 5YRJ BGC GLC 5.42636
31 2Z49 AMG 5.42636
32 5YRF GLC GLC 5.42636
33 2Z48 NGA 5.42636
34 4HI0 GDP 5.42636
35 5GVL PLG 5.42636
36 5GVL GI8 5.42636
37 5YSS NAD 5.42636
38 5YJS SAL 5.42636
39 3FIU POP 5.42636
40 5YRL GLC GLC 5.42636
41 2CUN 3PG 5.42636
42 5EOU ATP 6.20155
43 4DQL FAD 6.20155
44 4DQL NAP 6.20155
45 1A78 TDG 6.20155
46 5MQ6 NDP 6.20155
47 5YSQ INS 6.20155
48 3ABI NAD 6.97674
49 1VA6 ADP 6.97674
50 1VA6 P2S 6.97674
51 2QLU ADE 7.75194
52 2Q2V NAD 7.75194
53 3ZV6 NAD 7.75194
54 4RHE FMN 7.75194
55 5TH5 MET 7.75194
56 5AB7 MLC 7.75194
57 4LH7 1X8 8.52713
58 2OFV 242 8.52713
59 2NZ5 226 8.52713
60 3HMO STU 9.30233
61 5WGR PM7 10.0775
62 3KYG 5GP 5GP 10.0775
63 2RDE C2E 10.0775
64 5XK9 GST 10.8527
65 1W1G 4PT 11.6279
66 3SJK LYS PRO VAL LEU ARG THR ALA 11.6279
67 2YAK OSV 11.6279
68 2ZXI FAD 11.6279
69 3WUD GLC GAL 11.6279
70 4BVA T3 12.4031
71 5D3X 4IP 12.4031
72 4CQK PIO 12.766
73 5YAK YOF 13.1783
74 5HIP 61O 13.1783
75 1UA4 BGC 13.9535
76 1UA4 GLC 13.9535
77 6GMR F4K 15.5039
78 2ZUX RAM 17.0543
79 5C79 PBU 17.8295
80 2WLG SOP 17.8295
81 5C9P FUC 19.3798
82 4CS9 AMP 19.3798
83 3LJU IP9 21.7054
84 5UKL SIX 30.2326
85 1B55 4IP 35.6589
86 3AJ4 SEP 39.2857
87 1UNQ 4IP 44
Pocket No.: 2; Query (leader) PDB : 1FHX; Ligand: 4IP; Similar sites found with APoc: 133
This union binding pocket(no: 2) in the query (biounit: 1fhx.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5OFI 9TQ None
2 1CLU DBG None
3 2J4K U5P None
4 3S43 478 None
5 1O44 852 None
6 6GG9 FMN 0.775194
7 3IS2 FAD 1.55039
8 3D72 FAD 1.55039
9 4EHU ANP 2.32558
10 3Q60 ATP 2.32558
11 4ZCW 4NG 2.32558
12 5CPR SAM 3.10078
13 4WQQ MAN 3.10078
14 3QLM PLM 3.22581
15 4HIA FMN 3.40909
16 5GXU FAD 3.87597
17 6HOY AR6 3.87597
18 1JJE BYS 3.87597
19 4QIJ 1HA 3.87597
20 5XWC 2IT 3.87597
21 5XWC 8GL 3.87597
22 5XWC NAP 3.87597
23 4X7R UDP 3.87597
24 4X7R 3YW 3.87597
25 1BXK NAD 3.87597
26 4M20 COA 3.93701
27 4IPH 1FJ 4.06504
28 2BOS GLA GAL GLC 4.41176
29 3OZV ECN 4.65116
30 3PE2 E1B 4.65116
31 3GZ8 APR 4.65116
32 4J1Q NDP 4.65116
33 1S7G APR 4.65116
34 2R75 01G 4.65116
35 1N0U SO1 4.65116
36 1EE0 CAA 4.65116
37 6GWR FEW 4.65116
38 2I8T GDD 4.65116
39 5XDT GDP 4.65116
40 4IXH IMP 4.65116
41 1S9A BEZ 4.65116
42 3BP1 GUN 4.65116
43 3ACL 3F1 4.72973
44 2XGT NSS 5.42636
45 1LSH PLD 5.42636
46 4INB 1F6 5.42636
47 5FLJ QUE 5.42636
48 3IHG VAK 5.42636
49 5HWV MBN 5.42636
50 3ZS9 ADP ALF 5.42636
51 4EES FMN 6.08696
52 2ZRU FMN 6.20155
53 5A5W GUO 6.20155
54 5W8Q BU4 6.20155
55 2CM4 RCL 6.20155
56 2V6G NAP 6.20155
57 5MR6 FAD 6.20155
58 4K49 HFQ 6.20155
59 3P7N FMN 6.20155
60 3L9W AMP 6.20155
61 5LUN ARG 6.20155
62 4M1U A2G MBG 6.20155
63 5LUN OGA 6.20155
64 4ZS4 ATP 6.20155
65 3V2U GLA 6.20155
66 4MOB COA 6.97674
67 3E1T FAD 6.97674
68 3G6K POP 6.97674
69 3G6K FAD 6.97674
70 4WB6 ATP 6.97674
71 4G1V FAD 6.97674
72 5LRT ADP 6.97674
73 2QCS ANP 6.97674
74 4I8P NAD 6.97674
75 2WSI FAD 6.97674
76 3LL5 IPE 7.75194
77 3LL5 ADP 7.75194
78 5GUD 2IT 7.75194
79 5GUD NDP 7.75194
80 2RKV COA 7.75194
81 2RKV ZBA 7.75194
82 3ETG NDP 7.75194
83 5DF1 NAP 7.75194
84 5DF1 58X 7.75194
85 2E5A LAQ 7.75194
86 5TC4 NAD 7.75194
87 1GQG DCD 7.75194
88 4Z0G 5GP 7.75194
89 1VRP ADP 7.75194
90 5UIU 8CG 8.52713
91 3B6R ADP 8.52713
92 3A5Z KAA 9.30233
93 5UL4 SAM 9.30233
94 4C5N ACP 9.30233
95 3O0G 3O0 9.30233
96 4XTR ADP 9.30233
97 6G3F FUM 9.30233
98 5BVA FAD 10.0775
99 2Q2Y ADP 10.0775
100 3GE7 AFQ 10.0775
101 5XK9 DMA 10.8527
102 3E9I XAH 10.8527
103 6GNO XDI 10.8527
104 1WUR 8DG 10.8527
105 4R1S NAP 10.8527
106 4USI ATP 10.8527
107 1BC5 ACE ASN TRP GLU THR PHE 10.8527
108 2V1O COA 10.8527
109 4A62 ANP 11.6279
110 3RYC GTP 11.6279
111 5ITZ GTP 11.6279
112 5EIB GTP 11.6279
113 4U0I 0LI 11.6279
114 2BOY BHO 11.6279
115 6CI9 NAP 12.4031
116 4ZUL UN1 13.1783
117 3TTI KBI 13.1783
118 2Z6D FMN 13.1783
119 5XVG 8FX 13.1783
120 2G30 ALA ALA PHE 13.9535
121 5A0R ACE GLU VAL ASN PRO 13.9535
122 2RC5 FAD 13.9535
123 4WNK 453 14.7287
124 1BGV GLU 14.7287
125 2QFY AKG 14.7287
126 3TN7 NJP 14.7287
127 2CNE DFJ 15.5039
128 6EL3 NAP 15.5039
129 5DEY 59T 16.2791
130 3BY9 SIN 16.2791
131 5O0J GLC 17.0543
132 3PVW QRX 24.8062
133 4NDO ATP 27.1318
Pocket No.: 3; Query (leader) PDB : 1FHX; Ligand: 4IP; 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: 1fhx.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FHX; Ligand: 4IP; 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: 1fhx.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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