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Receptor
PDB id Resolution Class Description Source Keywords
5OJY 1.85 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CO-COMPLEX STRUCTURE OF REGULATOR PROTEIN 2 (PAMR2) WITH PAM FROM STREPTOMYCES ALBONIGER STREPTOMYCES ALBONIGER TRANSCRIPTION REGULATOR TETR FAMILY TRANSCRIPTION REGULATORSTREPTOMYCES ALBONIGER REGULATOR PROTEIN 2 PAMAMYCIN BIOSTRANSCRIPTION
Ref.: DESIGN, DEVELOPMENT AND APPLICATION OF WHOLE-CELL B ANTIBIOTIC-SPECIFIC BIOSENSOR. METAB. ENG. V. 47 263 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:303;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
GOL A:301;
A:302;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
9XB A:304;
Valid;
none;
submit data
607.861 C35 H61 N O7 CCC[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OJY 1.85 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CO-COMPLEX STRUCTURE OF REGULATOR PROTEIN 2 (PAMR2) WITH PAM FROM STREPTOMYCES ALBONIGER STREPTOMYCES ALBONIGER TRANSCRIPTION REGULATOR TETR FAMILY TRANSCRIPTION REGULATORSTREPTOMYCES ALBONIGER REGULATOR PROTEIN 2 PAMAMYCIN BIOSTRANSCRIPTION
Ref.: DESIGN, DEVELOPMENT AND APPLICATION OF WHOLE-CELL B ANTIBIOTIC-SPECIFIC BIOSENSOR. METAB. ENG. V. 47 263 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5OJY - 9XB C35 H61 N O7 CCC[C@H]1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5OJY - 9XB C35 H61 N O7 CCC[C@H]1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5OJY - 9XB C35 H61 N O7 CCC[C@H]1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Ligand no: 2; Ligand: 9XB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9XB 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OJY; Ligand: 9XB; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 5ojy.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 4RJD TFP None
3 5CHR 4NC None
4 1SBR VIB 2.5
5 1ZPD CIT 2.75591
6 3M3E GAL A2G NPO 3.10559
7 2UW1 GVM 3.14961
8 1W3R PYR 3.24074
9 4O4Z N2O 3.8961
10 5IM3 DTP 3.93701
11 5OLK DTP 3.93701
12 1ZED PNP 5.90551
13 5LX9 OLB 6.69291
14 5LWY OLB 6.72269
15 1DTL BEP 6.8323
16 6CB2 OLC 7.08661
17 5N26 CPT 7.69231
18 4NV1 TYD 10.2881
19 2BHW NEX 12.069
20 4I90 CHT 12.9921
21 5AZC PGT 12.9921
22 4OGQ 7PH 13.9665
23 5C1M CLR 14.4
24 5Z84 CHD 15.2941
25 5ZCO CHD 15.2941
26 5W97 CHD 15.2941
27 43CA NPO 15.3846
28 5W7B MYR 15.6028
29 3AQT RCO 26.9388
Pocket No.: 2; Query (leader) PDB : 5OJY; Ligand: 9XB; 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: 5ojy.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5OJY; Ligand: CIT; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 5ojy.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4X9M FAD 2.3622
2 1RYI GOA 2.3622
3 1RYI FAD 2.3622
4 4RPL FAD 2.75591
5 5MST AMP 2.75591
6 2ZAT NAP 2.75591
7 5EPO NAP 2.75591
8 1NJF AGS 2.8
9 1M5B BN1 3.14961
10 6FDF SAH 3.54331
11 4YUW S4M 3.54331
12 4MCC 21X 3.65854
13 2QTR NXX 3.7037
14 6FCH PRP 3.93258
15 3GF4 UPG 3.93701
16 4RKS MEV 4.33071
17 2WD7 VGD 5.11811
18 2GKS ADP 5.11811
19 3B7G ANP 5.21739
20 2H29 DND 5.29101
21 5ZFI 9C9 5.35714
22 1TKB N1T 5.51181
23 1ZL9 GSH 5.7971
24 5FAH 5VT 5.80357
25 6B2M COA 5.90551
26 5WM2 AMP 5.90551
27 5WM2 SAL 5.90551
28 5BSH PRO 6.29921
29 1N9G NAP 6.29921
30 2JLD AG1 6.29921
31 4WAS NAP 6.29921
32 4WAS COO 6.29921
33 1SJN DUP 7.05882
34 4YEE 4CQ 8.88889
35 5M1T C2E 9.96441
36 5KHD C2E 12.0879
37 4WXJ GLU 13.7795
38 5U6V 7WY 14.5455
Pocket No.: 4; Query (leader) PDB : 5OJY; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5ojy.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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