Receptor
PDB id Resolution Class Description Source Keywords
1X8D 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI YIIL PROTEIN CONTAINING L- RHAMNOSE ESCHERICHIA COLI MUTAROTASE L-RHAMNOSE BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE MONOSACCHARIDE SPECIFICITY OF ESCHERICHIA COLI RHAMNOSE MUTAROTASE J.MOL.BIOL. V. 349 153 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RNS A:1105;
B:1106;
C:1107;
D:1108;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 6.16 mM
164.156 C6 H12 O5 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X8D 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI YIIL PROTEIN CONTAINING L- RHAMNOSE ESCHERICHIA COLI MUTAROTASE L-RHAMNOSE BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE MONOSACCHARIDE SPECIFICITY OF ESCHERICHIA COLI RHAMNOSE MUTAROTASE J.MOL.BIOL. V. 349 153 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1X8D Kd = 6.16 mM RNS C6 H12 O5 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 1068 families.
1 1X8D Kd = 6.16 mM RNS C6 H12 O5 C[C@@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QLX - RM4 C6 H12 O5 C[C@H]1[C@....
2 1X8D Kd = 6.16 mM RNS C6 H12 O5 C[C@@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RNS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RNS 1 1
2 REL 0.466667 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1X8D; Ligand: RNS; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1x8d.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MDC PLM 0.0205 0.41099 None
2 1Q23 FUA 0.01599 0.40963 None
3 5GIC DLC 0.04276 0.40373 None
4 3ZJQ NCA 0.005835 0.42428 1.92308
5 4PSB GA3 0.04115 0.40703 1.92308
6 1RE9 DSO 0.03553 0.40297 2.88462
7 3GNP SOG 0.01926 0.40223 2.88462
8 4QJP V1F 0.02523 0.41027 3.84615
9 2BIF BOG 0.02389 0.40726 4.80769
10 4GA6 AMP 0.0192 0.40478 4.80769
11 4XDA RIB 0.03209 0.41172 4.85437
12 4XDA ADP 0.03209 0.41172 4.85437
13 5TWO 7MV 0.00798 0.43038 5.76923
14 3G9E RO7 0.02034 0.42476 5.76923
15 3FUR Z12 0.04825 0.41312 5.76923
16 3B1M KRC 0.01853 0.41236 5.76923
17 1JCM 137 0.02414 0.40152 5.76923
18 2AQX ATP 0.02534 0.40407 7.69231
19 5IKH 6BW 0.0134 0.43229 8.65385
20 3SUT OAN 0.005423 0.42544 9.61539
21 2CER PGI 0.026 0.41557 12.5
22 3LN0 52B 0.04298 0.41143 12.5
23 3HF3 FMN 0.02912 0.40268 12.5
24 1SR7 MOF 0.03546 0.40798 13.4615
25 3EBL GA4 0.02946 0.40176 16.3462
26 3GYT DL4 0.0272 0.40525 22.1154
27 1LRI CLR 0.01116 0.42612 24.4898
28 2DYR PGV 0.03376 0.41445 25
29 2QUN FUD 0.01204 0.41464 30.7692
Pocket No.: 2; Query (leader) PDB : 1X8D; Ligand: RNS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1x8d.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1X8D; Ligand: RNS; Similar sites found: 17
This union binding pocket(no: 3) in the query (biounit: 1x8d.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FBN 5WF 0.02016 0.42337 None
2 3KDU NKS 0.04116 0.41806 None
3 1VYF OLA 0.01957 0.41254 None
4 3FEI CTM 0.02041 0.41159 None
5 5CXI 5TW 0.01514 0.40788 None
6 5BVS EIC 0.02052 0.4012 None
7 1FDQ HXA 0.02389 0.40945 1.92308
8 3KMZ EQO 0.02483 0.40997 2.63158
9 1WUR 8DG 0.02938 0.4018 3.84615
10 4EAY CS2 0.01498 0.41008 5.76923
11 3BXO UPP 0.01163 0.41367 6.73077
12 3RDE OYP 0.01854 0.41222 6.73077
13 4KWD JF2 0.03302 0.40204 6.73077
14 1LOX RS7 0.02119 0.40049 6.73077
15 5ML3 DL3 0.01873 0.42828 8.65385
16 5K7K 6RJ 0.02067 0.41417 10.5769
17 2AEL SAZ 0.01385 0.41368 24.0385
Pocket No.: 4; Query (leader) PDB : 1X8D; Ligand: RNS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1x8d.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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