-->
Receptor
PDB id Resolution Class Description Source Keywords
5BO9 2.3 Å EC: 2.4.99.0 STRUCTURE OF HUMAN SIALYLTRANSFERASE ST8SIAIII IN COMPLEX WI 3FNEU5AC AND SIA-6S-LACNAC HOMO SAPIENS SIALYLTRANSFERASE TERNARY COMPLEX DONOR ACCEPTOR TRANSFE
Ref.: STRUCTURE OF HUMAN ST8SIAIII SIALYLTRANSFERASE PROV INSIGHT INTO CELL-SURFACE POLYSIALYLATION. NAT.STRUCT.MOL.BIOL. V. 22 627 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA GAL NGS A:409;
B:407;
Valid;
Valid;
none;
none;
Kd = 250 uM
752.653 n/a S(=O)...
NAG NAG B:401;
A:407;
A:402;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG B:406;
B:405;
A:401;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CSF B:410;
A:412;
Valid;
Valid;
none;
none;
submit data
632.442 C20 H30 F N4 O16 P CC(=O...
NAG NAG FUC A:404;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BO9 2.3 Å EC: 2.4.99.0 STRUCTURE OF HUMAN SIALYLTRANSFERASE ST8SIAIII IN COMPLEX WI 3FNEU5AC AND SIA-6S-LACNAC HOMO SAPIENS SIALYLTRANSFERASE TERNARY COMPLEX DONOR ACCEPTOR TRANSFE
Ref.: STRUCTURE OF HUMAN ST8SIAIII SIALYLTRANSFERASE PROV INSIGHT INTO CELL-SURFACE POLYSIALYLATION. NAT.STRUCT.MOL.BIOL. V. 22 627 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5BO6 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
2 5BO7 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 5BO9 Kd = 250 uM SIA GAL NGS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5BO6 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
2 5BO7 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 5BO9 Kd = 250 uM SIA GAL NGS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5BO6 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
2 5BO7 - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
3 5BO9 Kd = 250 uM SIA GAL NGS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL NGS; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL NGS 1 1
2 NAG SIA GAL 0.821782 0.787879
3 NAG GAL NGC 0.752294 0.761194
4 SIA GLA NGS FUC 0.745763 1
5 SIA GAL BGC 0.719626 0.757576
6 SIA GAL GLC 0.719626 0.757576
7 BGC SIA GAL 0.719626 0.757576
8 GAL BGC SIA 0.719626 0.757576
9 GLA GLC SIA 0.719626 0.757576
10 BGC GAL SIA 0.719626 0.757576
11 NGA GAL SIA 0.71028 0.787879
12 SIA GAL A2G 0.71028 0.787879
13 4U2 0.685185 0.772727
14 SIA GAL NAG 0.684685 0.753623
15 SIA GAL NAG SIA 0.678261 0.776119
16 BGC SIA SIA GAL 0.65 0.776119
17 SIA SIA GLA BGC 0.65 0.776119
18 SIA GAL NDG SIA 0.649573 0.753623
19 GAL SIA NGA GAL SIA 0.641026 0.787879
20 SIA GAL NAG GAL 0.637931 0.776119
21 BGC GAL SIA SIA GAL NGA 0.634146 0.787879
22 BGC GAL SIA NGA GAL SIA 0.634146 0.787879
23 SIA GLA NAG FUC 0.633333 0.787879
24 SIA GAL NDG FUC 0.633333 0.787879
25 FUC NDG GAL SIA 0.633333 0.787879
26 SIA GAL NAG FUC 0.633333 0.787879
27 NAG FUC SIA GAL 0.633333 0.787879
28 NDG FUC SIA GAL 0.633333 0.787879
29 GAL SIA 0.631068 0.757576
30 MN0 GAL GLC 0.617391 0.731343
31 NAG GAL SIA 0.603448 0.776119
32 SIA SIA GAL NGA GAL 0.596899 0.776119
33 SLT 0.596491 0.742424
34 SIA GAL MAG FUC 0.593496 0.761194
35 SIA SIA GAL NGA GAL SIA 0.589147 0.776119
36 SIA 2FG 0.583333 0.714286
37 GAL NGA GAL BGC SIA 0.578125 0.787879
38 BGC GAL SIA NGA GAL 0.578125 0.787879
39 SIA GAL BGC NGA GAL 0.578125 0.787879
40 GAL NGA SIA GAL BGC 0.578125 0.787879
41 SIA GAL 0.574074 0.731343
42 SIA 2FG NAG 0.571429 0.742857
43 SIA SIA GAL 0.568965 0.776119
44 NGC GAL NGA POL AZI 0.565891 0.666667
45 GAL BGC SIA NGA 0.563492 0.787879
46 SIA GAL BGC NGA 0.563492 0.787879
47 BGC GAL SIA NGA 0.563492 0.787879
48 GAL NGA GAL SIA 0.560976 0.776119
49 SIA GAL NGA GAL 0.560976 0.787879
50 GAL SIA NGA GAL 0.560976 0.787879
51 NGC MBG 0.558559 0.720588
52 SIA GAL NGA 0.541667 0.787879
53 4U1 0.53719 0.761194
54 SIA GAL NAG GAL GLC 0.533835 0.776119
55 SIA GAL NAG GAL BGC 0.533835 0.776119
56 BGC GAL NAG SIA GAL 0.533835 0.776119
57 GAL NAG SIA GAL 0.53125 0.776119
58 SIA GAL BGC 16C 0.524138 0.684211
59 SIA NAG GAL GAL 0.52381 0.776119
60 SIA NAG GAL 0.520325 0.753623
61 BGC GAL CEQ SLB NGA GAL SIA SIA 0.52027 0.706667
62 SIA GAL SIA GLC NGA 0.517986 0.776119
63 SIA GAL SIA BGC NGA 0.517986 0.776119
64 BGC 18C GAL SIA 0.517007 0.684211
65 GAL TNR SIA 0.484615 0.753623
66 4U0 0.468254 0.731343
67 SIA GAL SIA BGC NGA CEQ 0.454545 0.679487
68 G6S NAG 0.445455 0.939394
69 BGC 18C GAL NGA SIA GAL 0.437126 0.684211
70 SIA NAG 0.425 0.728571
71 SLB SIA 0.415254 0.761194
72 SIA SIA 0.415254 0.761194
73 SIA SIA SIA SIA SIA SIA SIA 0.411765 0.761194
74 SLB SIA SIA 0.411765 0.761194
75 SIA SIA SIA 0.406504 0.761194
76 MNA 0.40566 0.676471
77 GLA GAL NAG 0.405405 0.681818
78 MAN BMA NAG 0.405405 0.681818
Ligand no: 2; 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 : 5BO9; Ligand: CSF; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 5bo9.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1XXA ARG None
2 5LJW ANP 1.85759
3 2WPB ZZI 1.97368
4 1RTF BEN 1.98413
5 5FPE 3TR 2.16718
6 4MAF ADX 2.16718
7 1Q8A HCS 2.16718
8 3AB4 THR 2.24719
9 5JIL 6KL 2.47678
10 4XBA GMP 2.5
11 2W41 ADP 2.76134
12 4G7A AZM 2.82258
13 5O5Y GLC 3.09598
14 4AF5 CIT 3.15789
15 1A0J BEN 3.58744
16 3PUN FUC GAL NDG FUC 3.79747
17 1Q19 SSC 4.02477
18 4COQ SAN 4.04858
19 1O8B ABF 4.10959
20 1B4B ARG 4.22535
21 6BR8 6OU 4.36508
22 1OVD FMN 4.50161
23 1OVD ORO 4.50161
24 4K7O EKZ 4.7619
25 1TLG GAL 4.8
26 2BDG PBZ 4.93274
27 3I27 SID 4.95356
28 2RNF UM3 5
29 5EDL VIB 5.07614
30 3FS1 MYR 5.21739
31 3B8I OXL 5.22648
32 2WPF WPF 5.26316
33 2WPF FAD 5.26316
34 2JFV FLC 5.49828
35 5XFV FMN 5.57276
36 4CUB GAL NAG 6.01093
37 2ZQO NGA 6.15385
38 1FLJ GSH 6.92308
39 1JAY F42 7.07547
40 6D50 GCB 7.12074
41 3LTW HLZ 7.43034
42 5MLJ 9ST 8.03571
43 2V2G BEZ 8.15451
44 3PGL RZX 8.33333
45 1M0S CIT 8.6758
46 5ODQ 9SB 9.28793
47 3W6G FLC 9.72222
48 4YSX MLI 9.92908
49 2O66 FLC 11.1111
50 5U98 1KX 11.1111
51 5Z49 RUB 11.2971
52 1ZEI CRS 11.3208
53 3L6C MLI 11.7647
54 1RO7 CSF 11.9691
55 3ZVS MLI 13.125
56 5ML0 P2L 14.5455
57 2P2V CSF 20.1389
58 2WQQ CSF 24.3986
59 2X61 CH 27.5194
60 2X61 NGA GAL SIA 27.5194
61 6APL C5P 29.4118
Pocket No.: 2; Query (leader) PDB : 5BO9; Ligand: CSF; Similar sites found with APoc: 39
This union binding pocket(no: 2) in the query (biounit: 5bo9.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1LNX URI None
2 2XWL CTP 2.24215
3 1U25 IHS 2.37389
4 4TQK NAG 2.47678
5 4XBA 5GP 2.5
6 4BC5 5FX 2.78638
7 1WUU GLA 2.78638
8 6CI9 F3V 3.0888
9 5MB4 NAG 3.40557
10 5MB4 NDG 3.40557
11 3VU2 CEX 3.40557
12 5T52 A2G 3.71901
13 5TP0 BRN 4.01786
14 3GWZ SAH 4.02477
15 1OSS BEN 4.03587
16 5HS2 CTP 4.31034
17 1O9W NAG 4.51977
18 5F33 PGH 4.59016
19 5YV5 ADP 4.64396
20 4YFY 0FX 4.72441
21 1Q8P MAN MMA 4.7619
22 2GND MAN MMA 4.7619
23 1FIW PBZ 4.82759
24 3JUC PCA 5.22876
25 6F9G PUT 5.26316
26 1V6A TRE 5.26316
27 4AG5 ADP 5.26316
28 4UP4 GAL NAG 7.12074
29 6B9T 2HE 7.12074
30 4UP4 NDG 7.12074
31 4UP4 NAG 7.12074
32 6GW4 CHO 7.49186
33 1LVW TYD 8.47458
34 2VHL GLP 8.66873
35 5L3S G 8.72483
36 2OQ5 BEN 9.05172
37 4JWK CTN 9.32642
38 1I1Q TRP 14.5511
39 1DMY AZM 16.129
Pocket No.: 3; Query (leader) PDB : 5BO9; Ligand: SIA GAL NGS; Similar sites found with APoc: 79
This union binding pocket(no: 3) in the query (biounit: 5bo9.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1U4L H1S None
2 1XXA ARG None
3 3SI2 PBD 1.85759
4 5LJW ANP 1.85759
5 1JA9 PYQ 2.18978
6 3AB4 THR 2.24719
7 1XX4 BAM 2.29885
8 1YQC GLV 2.35294
9 5JIL 6KL 2.47678
10 4XBA 5GP 2.5
11 4XBA GMP 2.5
12 5LA1 XYP 2.64766
13 2W41 ADP 2.76134
14 5O0J GLC 2.78638
15 5KOD IAC 2.78638
16 2V8L GLC GLC GLC GLC GLC GLC GLC 2.83019
17 2WIC GNP 2.99625
18 2AJH MET 3.06122
19 5O5Y GLC 3.09598
20 1D4D SIN 3.09598
21 4LGY ADP 3.09598
22 4AF5 CIT 3.15789
23 4D52 GXL 3.1746
24 5WBF LAC 3.33333
25 1A0J BEN 3.58744
26 1UPR 4IP 4.06504
27 1B4B ARG 4.22535
28 2WBV SIA 4.2328
29 2GND MAN MMA 4.7619
30 4K7O EKZ 4.7619
31 1Q8P MAN MMA 4.7619
32 4FGC PQ0 4.84848
33 2BDG PBZ 4.93274
34 3UG4 AHR 4.95356
35 2RNF UM3 5
36 5EDL VIB 5.07614
37 1V6A TRE 5.26316
38 1EYR CDP 5.26316
39 5OLK DTP 5.26316
40 5HTL C2E 5.51724
41 2OG2 MLI 5.88235
42 2ZQO NGA 6.15385
43 4OUJ LBT 6.84039
44 1EXF GLY 7.02479
45 1JAY F42 7.07547
46 4UP4 GAL NAG 7.12074
47 6D50 GCB 7.12074
48 3LTW HLZ 7.43034
49 1UA4 BGC 7.43034
50 1UA4 GLC 7.43034
51 4LO2 GAL BGC 7.43243
52 5EY0 ILE 7.66423
53 5MLJ 9ST 8.03571
54 2V2G BEZ 8.15451
55 1U1J MET 8.66873
56 2VHL GLP 8.66873
57 1M0S CIT 8.6758
58 2BS3 CIT 8.97833
59 3EGI ADP 9.2233
60 5ODQ 9SB 9.28793
61 1RV0 NDG 9.375
62 5HZ9 5M8 9.62963
63 3W6G FLC 9.72222
64 2O66 FLC 11.1111
65 5Z49 RUB 11.2971
66 1ZEI CRS 11.3208
67 3L6C MLI 11.7647
68 1RO7 CSF 11.9691
69 5FDZ 5X0 13.4454
70 1DMY AZM 16.129
71 6E8I PTR 18.3432
72 4CQK PIO 19.1489
73 2P2V CSF 20.1389
74 2WQQ CSF 24.3986
75 2X61 CH 27.5194
76 2X61 NGA GAL SIA 27.5194
77 6APL C5P 29.4118
78 2H88 TEO 30.7143
79 3KPE TM3 38.4615
Pocket No.: 4; Query (leader) PDB : 5BO9; Ligand: SIA GAL NGS; Similar sites found with APoc: 68
This union binding pocket(no: 4) in the query (biounit: 5bo9.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1LNX URI None
2 4G9N NGA None
3 3ITJ CIT 1.23839
4 1OJJ GLC GAL 1.54799
5 1OJK GLC BGC 1.54799
6 1PDZ PGA 1.54799
7 6DND PLP 1.70316
8 2JIG PD2 1.78571
9 4Q3S X7A 1.85759
10 4HNN LYS 1.85759
11 6FS8 E4Z 1.95122
12 5FPE 3TR 2.16718
13 3PN1 IVH 2.20126
14 3T0W DIW 2.43902
15 4TQK NAG 2.47678
16 6HSP COA 2.47678
17 3K5I ADP 2.48139
18 4W9N TCL 2.78638
19 6HKE LMR 2.83019
20 6CI9 F3V 3.0888
21 3JZ0 APC 3.13589
22 4D4U FUC GAL NAG 3.1746
23 5C79 PBU 3.33333
24 5MB4 NAG 3.40557
25 4JGP PYR 3.68664
26 3O2K DST 3.71517
27 1WCQ DAN 3.71517
28 5T52 NGA 3.71901
29 5T52 A2G 3.71901
30 1H5R THM 3.75427
31 3AJ6 NGA 3.84615
32 5TP0 BRN 4.01786
33 2Z48 NGA 4.02477
34 5AVF TAU 4.02477
35 2PUL ACP 4.02477
36 2GL0 ADN 4.19162
37 2AJ4 GLA 4.33437
38 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 4.33437
39 1O9W NAG 4.51977
40 4RJD TFP 4.54545
41 5YV5 ADP 4.64396
42 2FKA BEF 4.65116
43 5N17 8FK 5.07246
44 3KO0 TFP 5.94059
45 2XOC ADP 6.13027
46 2DUA OXL 6.55172
47 2AL2 PEP 6.65138
48 5E70 RCD 6.81115
49 2OVW CBI 7.12074
50 3WUC GLC GAL 7.29927
51 5JOX EDG 7.43034
52 1KNM LAT 7.69231
53 1SQL GUN 8.21918
54 5KK4 44E 8.33333
55 1LVW TYD 8.47458
56 6CBO DOW 8.65604
57 3VSV XYS 8.66873
58 5WSY 7UC 8.67052
59 3KDM TES 9.17431
60 4YSX MLI 9.92908
61 3E3U NVC 10.6599
62 3R75 BEZ 12.0743
63 2WQ4 SFU 12.1795
64 4C1K PEP 12.9771
65 4WJT NAG 13.7725
66 1I1Q TRP 14.5511
67 4IO2 GLU 20.1613
68 4MPO AMP 24.183
APoc FAQ
Feedback