Receptor
PDB id Resolution Class Description Source Keywords
4OHB 2.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF MILB E103A IN COMPLEX WITH 5- HYDROXYMETHYLCYTIDINE 5'-MONOPHOSPHATE (HMCMP) FROM STREPTOR IMOFACIENS STREPTOMYCES RIMOFACIENS HYDROLASE PROTEIN-HMCMP COMPLEX
Ref.: STRUCTURE OF THE N-GLYCOSIDASE MILB IN COMPLEX WITH HYDROXYMETHYL CMP REVEALS ITS ARG23 SPECIFICALLY RE THE SUBSTRATE AND CONTROLS ITS ENTRY NUCLEIC ACIDS RES. V. 42 8115 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5HM A:201;
Valid;
none;
submit data
353.223 C10 H16 N3 O9 P C1=C(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OHB 2.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF MILB E103A IN COMPLEX WITH 5- HYDROXYMETHYLCYTIDINE 5'-MONOPHOSPHATE (HMCMP) FROM STREPTOR IMOFACIENS STREPTOMYCES RIMOFACIENS HYDROLASE PROTEIN-HMCMP COMPLEX
Ref.: STRUCTURE OF THE N-GLYCOSIDASE MILB IN COMPLEX WITH HYDROXYMETHYL CMP REVEALS ITS ARG23 SPECIFICALLY RE THE SUBSTRATE AND CONTROLS ITS ENTRY NUCLEIC ACIDS RES. V. 42 8115 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 4OHB - 5HM C10 H16 N3 O9 P C1=C(C(=NC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 4OHB - 5HM C10 H16 N3 O9 P C1=C(C(=NC....
2 4JEM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 families.
1 4OHB - 5HM C10 H16 N3 O9 P C1=C(C(=NC....
2 4JEM - C5P C9 H14 N3 O8 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5HM; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 5HM 1 1
2 TKW 0.681159 0.958333
3 C5P 0.575342 0.944444
4 C 0.575342 0.944444
5 CAR 0.575342 0.944444
6 16B 0.519481 0.881579
7 5FU 0.480519 0.855263
8 CDP 0.47561 0.958333
9 CNU 0.469136 0.917808
10 5BU 0.468354 0.855263
11 ICR 0.468354 0.84
12 U5P 0.467532 0.888889
13 U 0.467532 0.888889
14 F01 0.465753 0.815789
15 CTP 0.458824 0.958333
16 HF4 0.458824 0.958333
17 7XL 0.454545 0.932432
18 2TM 0.448276 0.92
19 JW5 0.432099 0.90411
20 C2G 0.423913 0.945205
21 0RC 0.422222 0.907895
22 NUP 0.419753 0.931507
23 UP6 0.4125 0.84
24 C5G 0.412371 0.932432
25 C C C C 0.40625 0.905405
26 5AE 0.405405 0.794521
27 BMQ 0.405063 0.837838
28 8OP 0.404494 0.810127
29 CDM 0.402062 0.884615
30 H2U 0.4 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OHB; Ligand: 5HM; 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: 4ohb.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OHB; Ligand: 5HM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ohb.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4OHB; Ligand: 5HM; 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: 4ohb.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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