Receptor
PDB id Resolution Class Description Source Keywords
1U25 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE IN THE C2221 CRYSTAL F ORM SELENOMONAS RUMINANTIUM PTP P-LOOP PHYTASE HYDROLASE
Ref.: STRUCTURES OF SELENOMONAS RUMINANTIUM PHYTASE IN COMPLEX WITH PERSULFATED PHYTATE; DSP PHYTASE FOLD AND MECHANISM FOR SEQUENTIAL SUBSTRATE HYDROLYSIS STRUCTURE V. 12 2015 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHS A:2165;
A:2167;
C:2166;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
660.535 C6 H12 O24 S6 C1(C(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U25 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE IN THE C2221 CRYSTAL F ORM SELENOMONAS RUMINANTIUM PTP P-LOOP PHYTASE HYDROLASE
Ref.: STRUCTURES OF SELENOMONAS RUMINANTIUM PHYTASE IN COMPLEX WITH PERSULFATED PHYTATE; DSP PHYTASE FOLD AND MECHANISM FOR SEQUENTIAL SUBSTRATE HYDROLYSIS STRUCTURE V. 12 2015 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1U25 - IHS C6 H12 O24 S6 C1(C(C(C(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1U25 - IHS C6 H12 O24 S6 C1(C(C(C(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1U25 - IHS C6 H12 O24 S6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IHS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U25; Ligand: IHS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1u25.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1U25; Ligand: IHS; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 1u25.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GBB CIT 0.01937 0.40821 1.28205
2 1FEC FAD 0.0296 0.41582 1.48368
3 1E7S NAP 0.02716 0.40013 1.55763
4 5GG9 8GT 0.01765 0.40142 2.07715
5 1URX AAL GAL AAL GAL AAL GAL AAL 0.02049 0.40749 2.12766
6 5BO9 CSF 0.03514 0.41267 2.37389
7 5L4L NAP 0.01756 0.40846 2.37389
8 1F06 2NP 0.01201 0.43422 2.5
9 5NTW 98N 0.03056 0.40379 2.72374
10 1GZF NAD 0.03331 0.40732 2.8436
11 4ZOM 4Q3 0.03653 0.40564 3.11111
12 3E8T UQ8 0.01415 0.44124 3.18182
13 1XKD ICT 0.009319 0.40841 3.2641
14 1ZPD CIT 0.001266 0.44881 3.56083
15 4M0R 644 0.04118 0.41702 3.69393
16 3ETG GWD 0.01152 0.42367 3.85757
17 3VOT ADP 0.01331 0.40643 4.1543
18 1VG0 GER 0.03133 0.40508 4.45104
19 4NE2 SH2 0.04251 0.44913 4.79042
20 3ET3 ET1 0.04039 0.40266 4.79452
21 5DKK FMN 0.02049 0.41731 5.51724
22 3VRV YSD 0.04768 0.40746 5.53506
23 5CSD ACD 0.03112 0.41951 6.28931
24 5J1J ANP 0.01552 0.40461 6.66667
25 2PEZ DAT 0.01042 0.41813 7.26257
26 2PEZ GGZ 0.01042 0.41813 7.26257
27 4RKK GLC GLC GLC GLC GLC GLC 0.01218 0.40829 7.53012
28 5EYP LOC 0.03182 0.40806 7.69231
29 2F2L MLD 0.002598 0.4675 7.78443
30 5B0W 22B 0.04704 0.40722 7.90378
31 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01501 0.42038 8.15603
32 3G4G D71 0.04828 0.402 8.60534
33 4B5P ACO 0.03561 0.40731 10.5
34 3JRS A8S 0.01586 0.41601 10.5769
35 1BZL FAD 0.04398 0.42882 11.5727
36 1M7G ADP 0.01011 0.41792 11.8483
37 1M7G ADX 0.01591 0.41124 11.8483
Pocket No.: 3; Query (leader) PDB : 1U25; Ligand: IHS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1u25.bio3) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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