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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...
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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 237 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 187 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: 20
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 HF4 0.491071 0.871795
8 CDM 0.479339 0.876543
9 C 0.476636 0.858974
10 CAR 0.476636 0.858974
11 C5P 0.476636 0.858974
12 7XL 0.474138 0.897436
13 C5G 0.451613 0.922078
14 PMT 0.448529 0.835294
15 CXY 0.448 0.922078
16 CDC 0.447154 0.772727
17 1AA 0.421053 0.864198
18 GPC 0.410959 0.848837
19 C C C C 0.401575 0.871795
20 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 with APoc: 121
This union binding pocket(no: 1) in the query (biounit: 4r84.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6MVU K4V 0.795229
2 4I3V NAD 0.819672
3 2UYQ SAM 1.29032
4 5L13 6ZE 1.39165
5 3RHJ NAP 1.39165
6 5KF6 NAD 1.39165
7 5KY9 GDP 1.40845
8 5KXQ GDP 1.41243
9 2WME NAP 1.42857
10 2WOX NDP 1.43149
11 1F9V ADP 1.44092
12 3VZ3 NAP 1.53173
13 3VZ3 SSN 1.53173
14 3ZV6 NAD 1.77936
15 4ZUL UN1 1.78926
16 3IWJ NAD 1.78926
17 5L2M 6ZY 1.79641
18 1HXD BTN 1.86916
19 2EG5 SAH 1.88172
20 1DCP HBI 1.92308
21 2EXX NAP 1.96078
22 2Y5D NAP 1.98807
23 1T9D FAD 1.98807
24 1T9D P25 1.98807
25 1T9D PYD 1.98807
26 1EZ0 NAP 1.98807
27 1U1I NAD 1.98807
28 5O2N FLC 1.98807
29 1O0S NAI 1.98807
30 1ZX5 LFR 2
31 5DBV COA 2.02247
32 1YQZ FAD 2.28311
33 1DIG NAP 2.28758
34 1DIG L37 2.28758
35 3HAZ NAD 2.38569
36 6E0D XXX 2.55319
37 4I9B NAD 2.58449
38 3SIX GDP 2.72727
39 1O9J NAD 2.79441
40 1T90 NAD 2.88066
41 3JZ4 NAP 3.1185
42 2DFV NAD 3.17003
43 5JFL NAD 3.18091
44 3LGS ADE 3.37079
45 4I8P NAD 3.37972
46 5XHA FRU 3.37972
47 3MBC NAP 3.37972
48 5KOK SAH 3.52645
49 3QPB URA 3.5461
50 6FK3 PPI 3.57853
51 3KLL MAL 3.57853
52 4WOE ADP 3.57853
53 1VMK GUN 3.61011
54 5IUW NAD 3.62173
55 5IUW IAC 3.62173
56 1C3X 8IG 3.7594
57 1SQL GUN 4.10959
58 5N5S NAP 4.17495
59 4NS3 NAD 4.17495
60 1YXM ADE 4.29043
61 2YK7 CSF 4.29448
62 4PXL NAD 4.37376
63 2XVM SAH 4.52261
64 1UP7 NAD 4.55635
65 5UCD NAP 4.59519
66 1F06 NDP 4.6875
67 1F06 2NP 4.6875
68 5IFK HPA 4.77137
69 4LH0 GLV 4.77137
70 1KY8 NAP 4.79042
71 3KO0 TFP 4.9505
72 2XOC ADP 4.98084
73 5KY5 GDP 5
74 6C8R EQV 5.01319
75 6C8R SAH 5.01319
76 4M0R 644 5.01319
77 2D3Y DU 5.02283
78 3LCV SAM 5.33808
79 2QE0 NAP 5.47368
80 3EFV NAD 5.62771
81 2XG5 EC5 5.78035
82 2XG5 EC2 5.78035
83 2Z9I GLY ALA THR VAL 5.8642
84 2HIM ASN 5.86592
85 6B5G NAD 5.88235
86 6B5G CQY 5.88235
87 3AB4 LYS 6.17577
88 4PZ2 NAD 6.36183
89 3H8V ATP 6.50685
90 5F7J ADE 6.5625
91 4YJK URA 7.14286
92 3BJE URA 7.16332
93 4JLS 3ZE 7.23684
94 5V6F MAN BMA MAN 7.24638
95 1H8P PC 7.33945
96 4OE4 NAD 7.35587
97 5WHU SIA 7.38255
98 5KY4 GDP 7.5
99 2IMP NAI 7.51566
100 4CJX NAP 7.52351
101 5OFW 9TW 7.62332
102 4A0M NAD 7.8629
103 4YEF 4CQ 7.86517
104 4YWV SSN 7.95699
105 1WHT BZS 8.49673
106 5N53 8NB 8.71795
107 1XF1 CIT 8.74751
108 5UAV NDP 9.00621
109 2GAG NAD 9.09091
110 1DKU AP2 9.14826
111 5GWX SAM 11.2676
112 5GWX SAR 11.2676
113 2JFV FLC 11.3402
114 2BJK NAD 11.7296
115 1Z0N BCD 14.5833
116 2GL0 ADN 16.1677
117 3GE7 AFQ 17.0984
118 3ROE THM 17.7358
119 1I7M CG 19.403
120 1UPR 4IP 28.4553
121 2E1A MSE 36
Pocket No.: 2; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 4r84.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5UXH GFB 2.18688
2 2VAR AMP 2.23642
3 4IY7 0JO 2.267
4 2JK0 ASP 2.46154
5 1RYD GLC 2.58398
6 4BVA T3 2.68657
7 1PGP 6PG 2.6971
8 4JCA CIT 4.19162
9 5XWV 8H6 4.23387
10 3DJF BC3 4.37376
11 1GNY XYP XYP XYP XYP XYP 4.57516
12 4GLW NMN 4.59016
13 4W6Z 8ID 4.61095
14 5JWC FAD 5.16899
15 2P4S DIH 5.63003
16 4POW OP1 7.54717
17 1VBO MAN 14.094
18 5A9A UTP 16.4609
19 5NC1 NAG 18.5654
Pocket No.: 3; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 4r84.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1RRV TYD 2.16346
2 5SWI BMA 4.37376
3 3VSV XYS 5.5666
4 3RUG DB6 6.06061
5 2B6N ALA PRO THR 7.55396
6 5M6N 7H9 17.7966
Pocket No.: 4; Query (leader) PDB : 4R84; Ligand: CSF; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 4r84.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1RLZ NAD 2.16802
2 2B7N NTM 2.1978
3 5XXH E0D 2.25564
4 1W0O SIA 2.7833
5 3QTP 2PG 2.94785
6 5DNC ASN 2.98211
7 4GID 0GH 3.09278
8 4JJF N2I 3.77907
9 1M5B BN1 4.18251
10 4CJN QNZ 4.77137
11 4XFM THE 6.16302
12 2F6U CIT 12.8205
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