Receptor
PDB id Resolution Class Description Source Keywords
4R84 1.7 Å EC: 2.4.99.1 CRYSTAL STRUCTURE OF SIALYLTRANSFERASE FROM PHOTOBACTERIUM D WITH CMP-3F(A)NEU5AC BOUND PHOTOBACTERIUM DAMSELAE ROSSMANN FOLD GLYCOSYLTRANSFERASE GT-B STRUCTURAL GROUP TR
Ref.: CRYSTAL STRUCTURES OF SIALYLTRANSFERASE FROM PHOTOB DAMSELAE. FEBS LETT. V. 588 4720 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA C:502;
B:502;
A:502;
D:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CSF C:501;
D:501;
A:501;
B:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
632.442 C20 H30 F N4 O16 P CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R84 1.7 Å EC: 2.4.99.1 CRYSTAL STRUCTURE OF SIALYLTRANSFERASE FROM PHOTOBACTERIUM D WITH CMP-3F(A)NEU5AC BOUND PHOTOBACTERIUM DAMSELAE ROSSMANN FOLD GLYCOSYLTRANSFERASE GT-B STRUCTURAL GROUP TR
Ref.: CRYSTAL STRUCTURES OF SIALYLTRANSFERASE FROM PHOTOB DAMSELAE. FEBS LETT. V. 588 4720 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R84 - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 2Z4T - LBT C12 H22 O11 C([C@@H]1[....
2 4R84 - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2Z4T - LBT C12 H22 O11 C([C@@H]1[....
2 4R84 - CSF C20 H30 F N4 O16 P CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CSF; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 CSF 1 1
2 FN5 0.639344 1
3 C5P SIA 0.576923 0.923077
4 C2G 0.513043 0.909091
5 CDP 0.504587 0.871795
6 CTP 0.491071 0.871795
7 CDM 0.479339 0.876543
8 C5P 0.476636 0.858974
9 CAR 0.476636 0.858974
10 C 0.476636 0.858974
11 7XL 0.474138 0.897436
12 C5G 0.451613 0.922078
13 PMT 0.448529 0.835294
14 CXY 0.448 0.922078
15 CDC 0.447154 0.772727
16 CDP MG 0.434783 0.814815
17 1AA 0.421053 0.864198
18 GPC 0.410959 0.848837
19 C C 0.4 0.858974
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found: 44
This union binding pocket(no: 1) in the query (biounit: 4r84.bio4) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2UYQ SAM 0.02287 0.40121 1.29032
2 5KF6 NAD 0.002788 0.44436 1.39165
3 5KY9 GDP 0.002592 0.42663 1.40845
4 2WME NAP 0.0003441 0.44482 1.42857
5 3IWJ NAD 0.0007999 0.43667 1.78926
6 2EG5 SAH 0.007777 0.40495 1.88172
7 1DCP HBI 0.00383 0.43123 1.92308
8 1ZX5 LFR 0.01419 0.42699 2
9 4I9B NAD 0.000511 0.43159 2.58449
10 3SIX GDP 0.004946 0.41809 2.72727
11 5JFL NAD 0.001026 0.46071 3.18091
12 3LGS ADE 0.006474 0.4283 3.37079
13 3MBC NAP 0.02019 0.41271 3.37972
14 5KOK SAH 0.008138 0.40613 3.52645
15 3QPB URA 0.008445 0.4176 3.5461
16 1VMK GUN 0.01075 0.41673 3.61011
17 1C3X 8IG 0.01292 0.40435 3.7594
18 1SQL GUN 0.00765 0.42987 4.10959
19 4NS3 NAD 0.003337 0.40449 4.17495
20 1YXM ADE 0.01444 0.40762 4.29043
21 2YK7 CSF 0.00007031 0.4648 4.29448
22 1F06 2NP 0.01916 0.40668 4.6875
23 4DSU BZI 0.0182 0.40563 4.7619
24 4LH0 GLV 0.01095 0.42054 4.77137
25 5KY5 GDP 0.01083 0.40224 5
26 4M0R 644 0.03511 0.40136 5.01319
27 3LCV SAM 0.01243 0.40273 5.33808
28 2XG5 EC2 0.006832 0.42654 5.78035
29 2XG5 EC5 0.006832 0.42654 5.78035
30 2Z9I GLY ALA THR VAL 0.01028 0.41244 5.8642
31 3AB4 LYS 0.00581 0.42388 6.17577
32 5F7J ADE 0.01307 0.41323 6.5625
33 3BJE URA 0.01398 0.41201 7.16332
34 4OE4 NAD 0.002537 0.40909 7.35587
35 5KY4 GDP 0.007251 0.41462 7.5
36 4A0M NAD 0.002125 0.44864 7.8629
37 4YWV SSN 0.002193 0.44799 7.95699
38 1WHT BZS 0.01734 0.40481 8.49673
39 1XF1 CIT 0.01847 0.40565 8.74751
40 2JFV FLC 0.006587 0.42813 11.3402
41 2BJK NAD 0.001077 0.46661 11.7296
42 1I7M CG 0.0076 0.41364 19.403
43 1UPR 4IP 0.007727 0.44241 28.4553
44 2E1A MSE 0.01455 0.40431 36
Pocket No.: 2; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 4r84.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VAR AMP 0.01272 0.40295 2.23642
2 1RYD GLC 0.01784 0.40262 2.58398
3 4JCA CIT 0.0127 0.41911 4.19162
4 1GNY XYP XYP XYP XYP XYP 0.02694 0.40078 4.57516
5 4GLW NMN 0.007721 0.42637 4.59016
6 4W6Z 8ID 0.02523 0.40194 4.61095
7 1VBO MAN 0.0113 0.40325 14.094
Pocket No.: 3; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 4r84.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VSV XYS 0.02345 0.40027 5.5666
2 2B6N ALA PRO THR 0.01472 0.40204 7.55396
3 5N53 8NB 0.02461 0.40019 8.71795
4 5M6N 7H9 0.01977 0.40448 17.7966
Pocket No.: 4; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 4r84.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W0O SIA 0.02152 0.41017 2.7833
2 5UCD NAP 0.0001808 0.41296 4.59519
3 4CJN QNZ 0.009815 0.42002 4.77137
4 3KO0 TFP 0.01604 0.41714 4.9505
5 2F6U CIT 0.02047 0.40317 12.8205
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