Receptor
PDB id Resolution Class Description Source Keywords
1U26 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE 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:2166;
A:2167;
B:2165;
Valid;
Valid;
Valid;
none;
none;
none;
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660.535 C6 H12 O24 S6 C1(C(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U26 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE 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 1U26 - 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 1U26 - 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 1U26 - 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 : 1U26; Ligand: IHS; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 1u26.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1D1Q 4NP 0.0001078 0.5223 1.86335
2 1ZSQ PIB 0.0001439 0.49307 2.07715
3 4WOH 4NP 0.000003009 0.42883 2.40964
4 5KMS NAD 0.04234 0.41031 3.2641
5 5KQG 6VX 0.000803 0.45772 3.37079
6 4GE6 B26 0.0003619 0.41144 3.50318
7 3O2Q PRO THR SEP PRO SER TYR 0.009001 0.40601 3.73832
8 3LN9 FLC 0.004543 0.42678 4.31655
9 3F81 STT 0.000005991 0.59532 4.37158
10 4ISS TAR 0.0152 0.40407 4.45104
11 4KYQ FLC 0.00004945 0.47936 4.80769
12 3O5X JZG 0.0001429 0.4869 5.07246
13 4J51 N75 0.0001392 0.41896 5.82822
14 3W68 4PT 0.01801 0.40057 6.76692
15 3V0H I3P 0.000005387 0.57797 6.82493
16 1RYO OXL 0.01194 0.42198 7.03364
17 1PA9 CSN 0.00001387 0.5266 7.04225
18 2CJZ PTR 0.000005105 0.60503 8.85246
19 1UZ4 IFL 0.01463 0.41208 10.6825
20 2H04 4UN 0.000003187 0.56159 11.1821
21 1OHE ACE ALA SEP PRO 0.000002241 0.51367 11.276
22 2IMG MLT 0.0000007512 0.64269 13.9073
23 3RGQ 5P5 0.0003313 0.49382 15.3846
24 3QIN P1Y 0.01349 0.40083 19.3333
Pocket No.: 2; Query (leader) PDB : 1U26; Ligand: IHS; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 1u26.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TPR NAD 0.01532 0.41507 3.56083
2 4I54 1C1 0.02691 0.40168 4.1543
3 1LDN NAD 0.01869 0.41076 5.6962
4 4LFL TG6 0.01085 0.40191 5.81395
5 4RKK GLC GLC GLC GLC GLC GLC 0.009076 0.40368 7.83133
Pocket No.: 3; Query (leader) PDB : 1U26; 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: 1u26.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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