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 236 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 211 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 166 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: 55
This union binding pocket(no: 1) in the query (biounit: 4jd0.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BGQ RDC 0.02353 0.4131 0.888889
2 3TN7 NJP 0.03158 0.41259 1.19522
3 2GZM DGL 0.01317 0.40608 1.19522
4 1T0I FMN 0.01569 0.41146 2.09424
5 1VJ7 GPX 0.007454 0.40385 2.39044
6 4CE5 PDG 0.03433 0.40376 2.7027
7 5DH3 5BS 0.008546 0.42662 2.78884
8 1UA4 BGC 0.01153 0.40671 2.78884
9 1UA4 GLC 0.01153 0.40671 2.78884
10 2VQD AP2 0.01735 0.41189 3.23276
11 2D7I UDP 0.01358 0.40782 3.33333
12 5BUK FAD 0.01597 0.44017 3.58566
13 3DUV KDO 0.005905 0.41834 3.58566
14 5CMK GLU 0.02722 0.40716 3.58566
15 1ZAP A70 0.03854 0.40428 3.58566
16 2WK9 PLP 0.04149 0.40425 3.58566
17 1V47 ADX 0.02801 0.40015 3.58566
18 1ATL 0QI 0.03 0.40339 3.9604
19 1W8S FBP 0.004398 0.43537 3.98406
20 1Q5H DUD 0.01265 0.41548 4.08163
21 3QVP FAD 0.01815 0.43675 4.28816
22 2VVT I24 0.03387 0.40762 4.38247
23 2XTZ GSP 0.03127 0.40418 4.38247
24 2VVT DGL 0.01702 0.40254 4.38247
25 3K8D KDO 0.01337 0.40049 4.38247
26 1JV1 UD1 0.0071 0.44397 4.78088
27 2GKS ADP 0.02964 0.40209 4.78088
28 5EYK 5U5 0.03965 0.40011 4.78088
29 1EU8 TRE 0.004349 0.44788 5.17928
30 4MAF ADX 0.01474 0.41169 5.17928
31 3Q2H QHF 0.01773 0.41011 5.17928
32 5UOX 8GY 0.01545 0.41532 5.57769
33 3TWO NDP 0.03632 0.4117 5.57769
34 1YP4 ADQ 0.009742 0.43176 6.3745
35 1I36 NAP 0.03184 0.40358 6.77291
36 3CX8 GSP 0.0415 0.40153 6.89655
37 2FFU UDP 0.008404 0.42412 7.17131
38 1TAD GDP 0.01462 0.427 7.56972
39 1TAD ALF 0.01462 0.427 7.56972
40 4BHN BH9 0.01434 0.41564 7.96813
41 1ZUW DGL 0.01226 0.40532 8.36653
42 4U44 3D9 0.0119 0.41669 9.16335
43 2PA4 UPG 0.005946 0.44891 9.56175
44 2DWU DGL 0.01512 0.40054 10.5072
45 3JUK UPG 0.001966 0.47 10.757
46 1AZT GSP 0.03382 0.40635 11.1554
47 1OJ7 NZQ 0.04005 0.41147 11.5538
48 2ISJ FMN 0.0295 0.40344 11.7391
49 1YBH FAD 0.04147 0.41313 12.3506
50 1WYV PLP AOA 0.0196 0.40315 13.1474
51 4G87 UD1 0.0001894 0.52839 13.5458
52 2X65 M1P 0.005709 0.41825 18.3267
53 1HV9 UD1 0.008859 0.43729 20.3187
54 1IIM TTP 0.0008078 0.5054 21.5139
55 1H5R G1P 0.0003258 0.48981 37.4502
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