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Receptor
PDB id Resolution Class Description Source Keywords
4JD0 1.8 Å EC: 2.-.-.- STRUCTURE OF THE INOSITOL-1-PHOSPHATE CTP TRANSFERASE FROM T MARITIMA. THERMOTOGA MARITIMA ALPHA/BETA MOTIF OF SUGAR NUCLEOTIDYLTRANSFERASE TRANSFERAS
Ref.: STRUCTURE OF THE INOSITOL-1-PHOSPHATE CYTIDYLYLTRAN FROM THERMOTOGA MARITIMA. ACTA CRYSTALLOGR.,SECT.D V. 69 1808 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:309;
A:311;
A:303;
A:312;
A:307;
A:310;
A:308;
A:315;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
22.99 Na [Na+]
PO4 A:306;
A:305;
A:304;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
GOL A:314;
A:313;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
CL A:302;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
1KH A:301;
 Valid;
 none;
 submit data
276.074 C5 H13 As O8 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JD0 1.8 Å EC: 2.-.-.- STRUCTURE OF THE INOSITOL-1-PHOSPHATE CTP TRANSFERASE FROM T MARITIMA. THERMOTOGA MARITIMA ALPHA/BETA MOTIF OF SUGAR NUCLEOTIDYLTRANSFERASE TRANSFERAS
Ref.: STRUCTURE OF THE INOSITOL-1-PHOSPHATE CYTIDYLYLTRAN FROM THERMOTOGA MARITIMA. ACTA CRYSTALLOGR.,SECT.D V. 69 1808 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4JD0 - 1KH C5 H13 As O8 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4JD0 - 1KH C5 H13 As O8 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4JD0 - 1KH C5 H13 As O8 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1KH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1KH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JD0; Ligand: 1KH; Similar sites found with APoc: 86
This union binding pocket(no: 1) in the query (biounit: 4jd0.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1BGQ RDC 0.888889
2 3TN7 NJP 1.19522
3 2GZM DGL 1.19522
4 5XK9 DMA 1.2931
5 5XK9 GST 1.2931
6 1T0I FMN 2.09424
7 1HSL HIS 2.10084
8 1VJ7 GPX 2.39044
9 4CE5 PDG 2.7027
10 5DH3 5BS 2.78884
11 1UA4 GLC 2.78884
12 1UA4 BGC 2.78884
13 6EYT UDP 2.78884
14 2YQS UD1 3.18725
15 2VQD AP2 3.23276
16 2D7I UDP 3.33333
17 5BUK FAD 3.58566
18 3DUV KDO 3.58566
19 5K0A FAD 3.58566
20 4BXK 1IU 3.58566
21 5CMK GLU 3.58566
22 1ZAP A70 3.58566
23 2WK9 PLP 3.58566
24 5DDW 5B6 3.58566
25 1V47 ADX 3.58566
26 1ATL 0QI 3.9604
27 1W8S FBP 3.98406
28 5D2R 56W 3.98406
29 1KJ8 GAR 3.98406
30 1KJ8 ATP 3.98406
31 1Q5H DUD 4.08163
32 3QVP FAD 4.28816
33 2VVT I24 4.38247
34 2XTZ GSP 4.38247
35 2VVT DGL 4.38247
36 3K8D KDO 4.38247
37 1JV1 UD1 4.78088
38 2GKS ADP 4.78088
39 5EYK 5U5 4.78088
40 1EU8 TRE 5.17928
41 4MAF ADX 5.17928
42 3Q2H QHF 5.17928
43 5O5Y GLC 5.17928
44 3WDM ADN 5.17928
45 3TWO NDP 5.57769
46 5AB7 MLC 5.57769
47 4NON GDP 5.9761
48 5K4W THR 5.9761
49 3LU1 UD2 5.9761
50 1YP4 ADQ 6.3745
51 5VLQ ANP 6.77291
52 1I36 NAP 6.77291
53 3CX8 GSP 6.89655
54 4R3U 3HC 6.96203
55 4R3U 3KK 6.96203
56 2FFU UDP 7.17131
57 5NDF UDP 7.17131
58 5NDF LU2 7.17131
59 1TAD ALF 7.56972
60 1TAD GDP 7.56972
61 6E2O S0L 7.96813
62 4IPE ANP 7.96813
63 4BHN BH9 7.96813
64 1ZUW DGL 8.36653
65 4U44 3D9 9.16335
66 1M9H NAD 9.16335
67 2PA4 UPG 9.56175
68 5W5R PYR 9.56175
69 2FHK MFN 9.56175
70 3PP0 03Q 9.56175
71 2DWU DGL 10.5072
72 3JUK UPG 10.757
73 1OJ7 NZQ 11.5538
74 2OL1 UMP 11.5646
75 2ISJ FMN 11.7391
76 1YBH FAD 12.3506
77 1WYV PLP AOA 13.1474
78 5Z0A NAG 15.1394
79 1M7Y PPG 16.3347
80 5Y6Q FAD 17.284
81 1CS4 GSP 17.7778
82 2X65 M1P 18.3267
83 1HV9 UD1 20.3187
84 1IIM TTP 21.5139
85 1H5T DAU 37.4502
86 1H5R G1P 37.4502
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