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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;
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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 2FP 0.458333 0.825
5 P6F 0.458333 0.825
6 P6T 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 with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 2yvk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3AB1 FAD 1.11111
2 2Q7V FAD 1.53846
3 4M3P HCS 1.60428
4 5U97 PIT 1.87166
5 5J60 FAD 1.875
6 2ZRU FMN 1.90217
7 2BQP GLC 2.13675
8 1GPM CIT 2.13904
9 5EB4 FAD 2.13904
10 3IID APR 2.36967
11 2G37 FAD 2.44648
12 2XVM SAH 2.51256
13 1OFS SUC 2.6738
14 1N7G GDR 2.6738
15 4GN8 ASO 2.67559
16 4ZRN NAD 2.88462
17 1KBJ FMN 2.94118
18 1KBI FMN 2.94118
19 1KBI PYR 2.94118
20 1ATL 0QI 2.9703
21 1RJD SAM 2.99401
22 4ASE AV9 3.11615
23 6GAR FAD 3.15186
24 3HQP FDP 3.20856
25 4U8P UDP 3.20856
26 1FEC FAD 3.20856
27 1KEW NAD 3.3241
28 1KEW TYD 3.3241
29 3GDN FAD 3.47594
30 3GDN HBX 3.47594
31 3IA4 NDP 3.7037
32 4KCT FDP 4.01069
33 3VCA PRO 4.01069
34 5TWB FAD 4.06977
35 2ZFU SAH 4.18605
36 3QDX CBS 4.1958
37 1PIG GLC GLC 4.27807
38 3Q9T FAY 4.27807
39 5F2K SAH 4.8913
40 5F2K OCA 4.8913
41 3LKF PC 5.01672
42 1M0S CIT 5.02283
43 1J3I NDP 5.18293
44 1XVB BHL BHL 5.29412
45 2FVK DUC 5.34759
46 1JW0 GUA 5.38462
47 4C3Y FAD 5.61497
48 6GKV SAH 5.69801
49 4M7V RAR 5.71429
50 3KJS NAP 5.88235
51 5AK0 8V1 5.88235
52 3ITJ FAD 6.21302
53 5HWK BEZ 6.25
54 3IAE D7K 6.41711
55 5EZ7 FAD 6.68449
56 3RG9 WRA 7.08333
57 3RG9 NDP 7.08333
58 4R6W PC 7.75194
59 4Z24 FAD 7.75401
60 1OC2 TDX 7.75862
61 1OC2 NAD 7.75862
62 2NU8 COA 8.68056
63 1LOB MMA 8.83978
64 5CIC 51R 8.84354
65 1BXG HCI 8.98876
66 1C1D PHE 9.01408
67 1AOE NDP 9.375
68 1AOE GW3 9.375
69 4QVB F42 10.2041
70 1LK7 DER 10.4803
71 5YFT RI2 45.679
Pocket No.: 2; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 2yvk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4H6Q FAD 2.40642
2 4H6Q TFB 2.40642
3 5TA6 79D 2.51397
4 1QO8 FAD 2.6738
5 3FC2 IBI 2.68657
6 1V84 GAL NDG 2.7668
7 1XAJ CRB 2.82486
8 1XAJ NAD 2.82486
9 2ZWA SAH 2.94118
10 5AR0 GB8 2.94118
11 5XH2 NPO 3.05344
12 2IHU TP9 3.4904
13 2Q0L FAD 3.53698
14 5N0J FAD 3.7037
15 3HDY GDU 4.01069
16 1H3F TYE 4.01069
17 3D3W NAP 4.09836
18 3QDY CBS 4.1958
19 3QDV NDG 4.1958
20 3QDU CBS CBS 4.1958
21 2BL9 NDP 4.20168
22 2BL9 CP6 4.20168
23 1TIW TFB 4.54545
24 1TIW FAD 4.54545
25 5EXW 7DT 5.08021
26 3ZZH NLG 5.21173
27 1UYY BGC BGC 5.34351
28 5JQ1 ZPF 5.51724
29 4C3Y ANB 5.61497
30 3KJS DQ1 5.88235
31 5GQX GLC GLC GLC GLC 5.88235
32 3HCH RSM 6.16438
33 4XDY HIO 7.39645
34 1OCU PIB 7.40741
35 2H7C SIA 7.48663
36 3TY3 GGG 7.9235
37 2J9D ADP 8.40336
38 4EIL NDP 8.82353
39 1BW9 PPY 8.98876
40 1C1X HFA 9.01408
41 3LZW NAP 10.8434
42 5WS9 OXL 11.4973
43 5K0A FAD 11.5152
44 3E3U NVC 14.7208
Pocket No.: 3; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 26
This union binding pocket(no: 3) in the query (biounit: 2yvk.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1JS8 MAN MAN BMA 1.60428
2 5W6Y TRP 1.89873
3 1GZF NIR 2.36967
4 3HYW DCQ 2.40642
5 3UDG TMP 2.99003
6 4DP3 MMV 3.125
7 3AKI AH8 3.20856
8 4U8P FDA 3.20856
9 1DRJ RIP 3.32103
10 3HDY FAD 4.01069
11 1JPA ANP 4.16667
12 1VMK GUN 4.54545
13 4O8A FAD 4.54545
14 1V5F TPP 4.81283
15 1V5F FAD 4.81283
16 5NM7 GLY 5.26316
17 1XVB BHL 5.29412
18 5OC1 FAD 5.88235
19 1RL4 BRR 6.38298
20 1N62 MCN 6.62651
21 4R6W SAH 7.75194
22 6FX2 FUC C4W NAG BMA MAN NAG GAL 9.30233
23 5T96 79J 9.35672
24 3NRR D16 11.4973
25 3NRR NAP 11.4973
26 1O8B ABF 13.242
Pocket No.: 4; Query (leader) PDB : 2YVK; Ligand: MRU; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 2yvk.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1TB3 FMN 2.55682
2 5DM1 5D7 2.62172
3 4ZCC FAD 2.67857
4 4NZ6 DGL 2.8754
5 1APZ ASP 3.08642
6 1F8G NAD 3.20856
7 1SB8 NAD 3.97727
8 1SB8 UD2 3.97727
9 1GPE FAD 4.27807
10 3V0H I3P 5.30973
11 2J5V PCA 5.44959
12 1ZGS XMM 5.88235
13 2UZH IPE 6.06061
14 1P4V GLY 6.44068
15 3VC1 SAH 7.05128
16 1XTP SAI 8.26772
17 2F5Z FAD 10.9375
18 2IOY RIP 13.7809
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