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 313 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 277 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 212 families.
1 4JD0 - 1KH C5 H13 As O8 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1KH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1KH 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1KH; Similar ligands found: 54
No: Ligand Similarity coefficient
1 EVA 0.9013
2 GCB 0.8994
3 LKA 0.8984
4 BGC 0.8976
5 GCU 0.8964
6 OA3 0.8906
7 GCS 0.8879
8 BDP 0.8876
9 BNT 0.8873
10 GLC 0.8864
11 G3F 0.8856
12 LAO 0.8842
13 SHG 0.8837
14 4ME 0.8835
15 LGC 0.8818
16 GCW 0.8809
17 5WY 0.8803
18 8S0 0.8763
19 42C 0.8755
20 JTH 0.8754
21 5RP 0.8742
22 PPK 0.8741
23 3RI 0.8733
24 GAL 0.8733
25 8GK 0.8714
26 2H5 0.8698
27 M0Q 0.8697
28 GCO 0.8682
29 GLA 0.8666
30 3C2 0.8662
31 G2F 0.8644
32 SOR 0.8642
33 NOJ 0.8635
34 GTR 0.8630
35 GCV 0.8627
36 1Z8 0.8624
37 7ZE 0.8620
38 VK3 0.8618
39 DBJ 0.8606
40 3C1 0.8600
41 2ZQ 0.8594
42 2FG 0.8587
43 SXS 0.8583
44 KBG 0.8575
45 3MG 0.8569
46 EXO 0.8561
47 MBG 0.8561
48 PA1 0.8558
49 M5N 0.8553
50 CTS 0.8545
51 PRZ 0.8542
52 HNQ 0.8540
53 AIN 0.8537
54 BMA 0.8534
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4jd0.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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