Receptor
PDB id Resolution Class Description Source Keywords
2YVK 2.4 Å EC: 5.3.1.23 CRYSTAL STRUCTURE OF 5-METHYLTHIORIBOSE 1-PHOSPHATE ISOMERASE PRODUCT COMPLEX FROM BACILLUS SUBTILIS BACILLUS SUBTILIS ISOMERASE METHIONINE SALVAGE PATHWAY CRYSTAL STRUCTURE
Ref.: CRYSTAL STRUCTURE OF 5-METHYLTHIORIBOSE 1-PHOSPHATE ISOMERASE PRODUCT COMPLEX FROM BACILLUS SUBTILIS: IMPLICATIONS FOR CATALYTIC MECHANISM PROTEIN SCI. V. 17 126 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRU A:501;
B:502;
C:503;
D:504;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
260.202 C6 H13 O7 P S CSC[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YVK 2.4 Å EC: 5.3.1.23 CRYSTAL STRUCTURE OF 5-METHYLTHIORIBOSE 1-PHOSPHATE ISOMERASE PRODUCT COMPLEX FROM BACILLUS SUBTILIS BACILLUS SUBTILIS ISOMERASE METHIONINE SALVAGE PATHWAY CRYSTAL STRUCTURE
Ref.: CRYSTAL STRUCTURE OF 5-METHYLTHIORIBOSE 1-PHOSPHATE ISOMERASE PRODUCT COMPLEX FROM BACILLUS SUBTILIS: IMPLICATIONS FOR CATALYTIC MECHANISM PROTEIN SCI. V. 17 126 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2YVK - MRU C6 H13 O7 P S CSC[C@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2YVK - MRU C6 H13 O7 P S CSC[C@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2YVK - MRU C6 H13 O7 P S CSC[C@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MRU; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 MRU 1 1
2 RUB 0.55814 0.871795
3 XBP 0.55814 0.871795
4 P6F 0.458333 0.825
5 P6T 0.458333 0.825
6 2FP 0.458333 0.825
Similar Ligands (3D)
Ligand no: 1; Ligand: MRU; Similar ligands found: 32
No: Ligand Similarity coefficient
1 DX5 0.9132
2 1AE 0.9079
3 RES 0.9070
4 A5P 0.9055
5 F6R 0.9048
6 5SP 0.9033
7 5RP 0.9001
8 DEZ 0.8995
9 R5P 0.8921
10 R52 0.8921
11 M1C 0.8911
12 S6P 0.8862
13 TX4 0.8860
14 PAN 0.8848
15 DXP 0.8822
16 E4P 0.8811
17 F6P 0.8802
18 9J6 0.8798
19 G6Q 0.8782
20 I22 0.8761
21 4TP 0.8728
22 LXP 0.8699
23 AGP 0.8691
24 EP1 0.8687
25 TZP 0.8675
26 STX 0.8652
27 5NR 0.8619
28 60L 0.8583
29 DG2 0.8575
30 9C2 0.8573
31 3VR 0.8525
32 6PG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 2yvk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5YFT RI2 45.679
2 5YFT RI2 45.679
3 5YFT RI2 45.679
Pocket No.: 2; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 2yvk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5YFT RI2 45.679
2 5YFT RI2 45.679
3 5YFT RI2 45.679
Pocket No.: 3; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 2yvk.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5YFT RI2 45.679
2 5YFT RI2 45.679
3 5YFT RI2 45.679
Pocket No.: 4; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 2yvk.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5YFT RI2 45.679
2 5YFT RI2 45.679
3 5YFT RI2 45.679
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