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
Ligand no: 1; Ligand: MRU; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 MRU 1 1
2 XBP 0.55814 0.871795
3 RUB 0.55814 0.871795
4 P6T 0.458333 0.825
5 2FP 0.458333 0.825
6 P6F 0.458333 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YVK; Ligand: MRU; 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: 2yvk.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found: 31
This union binding pocket(no: 2) in the query (biounit: 2yvk.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5J60 FAD 0.01886 0.40976 1.875
2 5EB4 FAD 0.03023 0.40075 2.13904
3 5TA6 79D 0.01284 0.40308 2.51397
4 1QO8 FAD 0.0298 0.40191 2.6738
5 1XAJ NAD 0.0239 0.40569 2.82486
6 1XAJ CRB 0.0239 0.40569 2.82486
7 2ZWA SAH 0.008743 0.40463 2.94118
8 1KBJ FMN 0.01175 0.40343 2.94118
9 5AR0 GB8 0.009665 0.40267 2.94118
10 1KBI PYR 0.01442 0.40077 2.94118
11 1FEC FAD 0.03142 0.40401 3.20856
12 2Q0L FAD 0.02605 0.40388 3.53698
13 3IA4 NDP 0.01203 0.40955 3.7037
14 3D3W NAP 0.01346 0.40961 4.09836
15 2BL9 CP6 0.02209 0.40263 4.20168
16 2BL9 NDP 0.02209 0.40263 4.20168
17 5F2K OCA 0.01409 0.40754 4.8913
18 5F2K SAH 0.01409 0.40754 4.8913
19 5F1X ATP 0.01404 0.40521 5.08021
20 2FVK DUC 0.01526 0.41141 5.34759
21 4C3Y ANB 0.01778 0.41615 5.61497
22 4C3Y FAD 0.01452 0.41615 5.61497
23 4M7V RAR 0.0227 0.40851 5.71429
24 3KJS NAP 0.002535 0.4382 5.88235
25 3KJS DQ1 0.004985 0.43748 5.88235
26 3RG9 WRA 0.008847 0.42358 7.08333
27 3RG9 NDP 0.008295 0.42282 7.08333
28 2J9D ADP 0.005159 0.41489 8.40336
29 1LOB MMA 0.01682 0.40315 8.83978
30 1BW9 PPY 0.005491 0.41391 8.98876
31 3LZW NAP 0.04829 0.40157 10.8434
Pocket No.: 3; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found: 16
This union binding pocket(no: 3) in the query (biounit: 2yvk.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ATL 0QI 0.01032 0.4014 2.9703
2 4DP3 NDP 0.02711 0.40557 3.125
3 4DP3 MMV 0.02711 0.40557 3.125
4 3HDY FAD 0.04538 0.40476 4.01069
5 3HDY GDU 0.04538 0.40476 4.01069
6 1V5F FAD 0.038 0.40986 4.81283
7 1RL4 BRR 0.02109 0.40251 6.38298
8 1N62 MCN 0.0229 0.40189 6.62651
9 4R6W SAH 0.01697 0.40375 7.75194
10 4R6W PC 0.04194 0.40073 7.75194
11 5BR7 FLC 0.03389 0.41121 8.28877
12 1AOE NDP 0.02807 0.40053 9.375
13 1AOE GW3 0.02807 0.40053 9.375
14 3NRR D16 0.03035 0.40475 11.4973
15 3NRR NAP 0.03151 0.40073 11.4973
16 1O8B ABF 0.01877 0.40079 13.242
Pocket No.: 4; Query (leader) PDB : 2YVK; Ligand: MRU; 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: 2yvk.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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