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Receptor
PDB id Resolution Class Description Source Keywords
2ZWI 2.01 Å EC: 2.4.99.4 CRYSTAL STRUCTURE OF ALPHA/BETA-GALACTOSIDE ALPHA-2,3- SIALYLTRANSFERASE FROM A LUMINOUS MARINE BACTERIUM, PHOTP HOSPHOREUM PHOTOBACTERIUM PHOSPHOREUM ALPHA-23-SIALYLTRANSFEASE JT-ISH-467 PHOTOBACTERIUM PHOSPGLYCOSYLTRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF ALPHA/BETA-GALACTOSIDE ALPHA2,3-SIALYLTRANSFERASE FROM A LUMINOUS MARINE B PHOTOBACTERIUM PHOSPHOREUM FEBS LETT. V. 583 2083 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C5P A:1;
B:1;
Valid;
Valid;
none;
none;
submit data
323.197 C9 H14 N3 O8 P C1=CN...
CL A:411;
A:412;
B:412;
B:413;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:3;
A:5;
A:6;
A:7;
B:4;
B:410;
B:411;
B:8;
B:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:410;
B:2;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZWI 2.01 Å EC: 2.4.99.4 CRYSTAL STRUCTURE OF ALPHA/BETA-GALACTOSIDE ALPHA-2,3- SIALYLTRANSFERASE FROM A LUMINOUS MARINE BACTERIUM, PHOTP HOSPHOREUM PHOTOBACTERIUM PHOSPHOREUM ALPHA-23-SIALYLTRANSFEASE JT-ISH-467 PHOTOBACTERIUM PHOSPGLYCOSYLTRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF ALPHA/BETA-GALACTOSIDE ALPHA2,3-SIALYLTRANSFERASE FROM A LUMINOUS MARINE B PHOTOBACTERIUM PHOSPHOREUM FEBS LETT. V. 583 2083 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZWI - C5P C9 H14 N3 O8 P C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZWI - C5P C9 H14 N3 O8 P C1=CN(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZWI - C5P C9 H14 N3 O8 P C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C5P; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 C5P 1 1
2 C 1 1
3 CAR 1 1
4 CDP 0.787879 0.985507
5 HF4 0.753623 0.985507
6 CTP 0.753623 0.985507
7 7XL 0.689189 0.930556
8 16B 0.676471 0.930556
9 AR3 0.672131 0.842857
10 CTN 0.672131 0.842857
11 C2G 0.662338 0.943662
12 I5A 0.634921 0.828571
13 C5G 0.634146 0.930556
14 C C 0.632911 0.942857
15 C C C C 0.62963 0.929577
16 CDC 0.62963 0.8375
17 CDM 0.621951 0.881579
18 CXY 0.607143 0.930556
19 TKW 0.591549 0.985507
20 C3P 0.585714 0.956522
21 5HM 0.575342 0.944444
22 U 0.571429 0.941176
23 U5P 0.571429 0.941176
24 CSV 0.555556 0.917808
25 CSQ 0.555556 0.917808
26 1AA 0.554348 0.893333
27 C2P 0.541667 0.942857
28 PMT 0.540816 0.860759
29 DCM 0.540541 0.902778
30 DC 0.540541 0.902778
31 DKZ 0.521127 0.733333
32 FN5 0.495146 0.858974
33 91P 0.495146 0.839506
34 DOC 0.493333 0.902778
35 ICR 0.486842 0.861111
36 5BU 0.486842 0.876712
37 2AA 0.485714 0.683673
38 MCN 0.485714 0.807229
39 GPC 0.481481 0.829268
40 G C 0.481132 0.848101
41 5FU 0.48 0.876712
42 A C A C 0.477064 0.846154
43 CSF 0.476636 0.858974
44 PCD 0.464286 0.770115
45 U A C C 0.463636 0.857143
46 C5P SIA 0.458716 0.88
47 YYY 0.451219 0.890411
48 CNU 0.45 0.915493
49 UDP 0.45 0.927536
50 44P 0.448718 0.888889
51 DCP 0.447059 0.890411
52 G G G C 0.442478 0.860759
53 A G C C 0.438596 0.858974
54 GTF 0.436782 0.890411
55 V12 0.43617 0.7375
56 NUP 0.435897 0.929577
57 GCQ 0.435294 0.890411
58 UTP 0.433735 0.927536
59 A U C C 0.429752 0.846154
60 2KH 0.428571 0.901408
61 UP6 0.428571 0.887324
62 NVG 0.427083 0.719512
63 G C C C 0.423729 0.871795
64 S5P 0.423077 0.853333
65 GEO 0.418919 0.77027
66 H2U 0.415584 0.861111
67 UDP UDP 0.414634 0.898551
68 FNU 0.4125 0.88
69 JW5 0.4125 0.901408
70 8GM 0.411765 0.906667
71 DCZ 0.410959 0.77027
72 LDC 0.410959 0.77027
73 UPU 0.409091 0.9
74 BMP 0.405063 0.901408
75 BMQ 0.402597 0.885714
76 8OP 0.402299 0.853333
77 UNP 0.402299 0.901408
78 U6M 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZWI; Ligand: C5P; Similar sites found with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 2zwi.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1DCP HBI None
2 1KY8 NAP 1.34048
3 5KOK SAH 1.34048
4 2QE0 NAP 1.60858
5 1XDS SAM 1.60858
6 3VZ3 SSN 1.60858
7 3VZ3 NAP 1.60858
8 1QZZ SAM 1.60858
9 1UP7 NAD 1.60858
10 2BJK NAD 1.87668
11 3RHJ NAP 1.87668
12 1EU1 MGD 1.87668
13 6B5G CQY 1.87668
14 6B5G NAD 1.87668
15 5XHA FRU 1.87668
16 4Z87 5GP 1.87668
17 3TKY SAH 1.90217
18 3LST SAH 2.01149
19 1IM8 SAI 2.04918
20 5GWX SAM 2.11268
21 5GWX SAR 2.11268
22 2Y5D NAP 2.14477
23 4AT0 FAD 2.14477
24 2XIQ MLC 2.14477
25 2A2C NG1 2.14477
26 2A2C ADP 2.14477
27 5XLS URA 2.14477
28 3T7S SAM 2.23881
29 5YLT C7N 2.28137
30 4XT8 NAP 2.32558
31 4XT8 TMQ 2.32558
32 3G89 SAM 2.40964
33 5IUW NAD 2.41287
34 5IUW IAC 2.41287
35 1TMO 2MD 2.41287
36 5AA4 6X4 2.41287
37 5WXU FLC 2.41287
38 5GSN FAD 2.41287
39 1RLZ NAD 2.43902
40 4IWN GEK 2.62009
41 4GNC ASO 2.67559
42 5L2M 6ZY 2.68097
43 5BSR COA 2.68097
44 5M67 NAD 2.68097
45 5BSR AMP 2.68097
46 1ZPD DPX 2.68097
47 1EZ0 NAP 2.7451
48 3HB5 NAP 2.75229
49 3PA8 621 2.75591
50 1YC5 NCA 2.84553
51 5JKG 6LF 2.89389
52 5L13 6ZE 2.94906
53 3JZ4 NAP 2.94906
54 5TS5 FAD 2.94906
55 4LHD GLY 2.94906
56 2OWZ CIT 3.01205
57 1DL5 SAH 3.15457
58 3UYK 0CX 3.21716
59 4I3V NAD 3.21716
60 5KF6 NAD 3.21716
61 1UPR 4IP 3.25203
62 1YXM ADE 3.30033
63 4A6D SAM 3.48525
64 1HV9 UD1 3.48525
65 5JFL NAD 3.48525
66 5MTE BB2 3.64964
67 2PA4 UPG 3.71517
68 4I8P NAD 3.75335
69 4NS3 NAD 3.75335
70 6G1P CIT 4
71 6C8R EQV 4.02145
72 6C8R SAH 4.02145
73 2EFJ SAH 4.02145
74 4R5Z SIN 4.08719
75 1NBU PH2 4.20168
76 6FK3 PPI 4.28954
77 4YBN FAD 4.28954
78 2YK7 CSF 4.29448
79 1Z3C SA8 4.36242
80 5GM1 SAH 4.3771
81 4PX9 ADP 4.45205
82 4I9B NAD 4.55764
83 3IWJ NAD 4.55764
84 5MGZ SAH 4.66102
85 1YQC GLV 4.70588
86 1RYD GLC 4.82574
87 1U1I NAD 4.82574
88 1T57 FMN 4.85437
89 5FM0 WAQ 5
90 3WMX NAD 5.02793
91 2WME NAP 5.09383
92 2WOX NDP 5.09383
93 5UCD NAP 5.09383
94 4PZ2 NAD 5.09383
95 5N5S NAP 5.09383
96 4K49 HFQ 5.14706
97 1WPQ NAD 5.15759
98 4PXL NAD 5.36193
99 6DVH FMN 5.36193
100 1N9G NAP 5.36193
101 3I53 SAH 5.42169
102 2PYU IMP 5.47945
103 4WAS NAP 5.49451
104 1T90 NAD 5.63003
105 4ZUL UN1 5.63003
106 1O9J NAD 5.89812
107 4NMC FAD 5.89812
108 2GL0 ADN 5.98802
109 5ZQY AR6 6.01719
110 5EEH SAH 6.16622
111 5EEH P9P 6.16622
112 3GE7 AFQ 6.16622
113 2X0K PPV 6.21302
114 1PGP 6PG 6.43432
115 5DBV COA 6.70241
116 5N1P 8GK 6.79612
117 1RM6 PCD 6.97051
118 1FP1 SAH 6.98925
119 4YMH SAH 7.08333
120 2Z49 AMG 7.23861
121 2Z48 NGA 7.23861
122 4LH0 GLV 7.23861
123 1OZH HE3 7.24382
124 5KY9 GDP 7.5
125 3IAA TYD 7.5067
126 3RSC TYD 7.5067
127 1SQL GUN 7.53425
128 6E0D XXX 7.65957
129 3KV8 FAH 7.91367
130 4CNK FAD 8.0429
131 5JF2 SF7 8.33333
132 4EOX 0S5 8.37438
133 4WOP CTP 8.44444
134 5WBF LAC 8.51852
135 1Q8V MAN MAN 8.73016
136 3GXO SAH 9.21409
137 3GWZ SAH 9.21409
138 4A0M NAD 9.38338
139 4DDY DN6 9.5057
140 2XOC ADP 9.57854
141 2IMP NAI 9.91957
142 2UYQ SAM 10
143 2D3Y DU 10.0457
144 3X1Z GNP 11.3772
145 1GUA GNP 11.3772
146 4HDQ GNP 11.3772
147 4MSG 2C6 12.9032
148 3LCV SAM 13.1673
149 5ICE 2H4 13.9205
150 5ICE SAH 13.9205
151 1UO4 PIH 14.7059
152 1Q1Y BB2 20.4188
153 4V3C C 48.2574
Pocket No.: 2; Query (leader) PDB : 2ZWI; Ligand: C5P; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 2zwi.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y1G NAD 1.52439
2 3HQP ATP 1.60858
3 3A2Y TS5 2.03046
4 4KP7 1UQ 2.14477
5 2H8Z 8CM 2.22841
6 5M67 ADE 2.68097
7 2IVN ANP 2.72727
8 4M26 ZZU 3.02198
9 4M26 SIN 3.02198
10 4L2I FAD 3.04183
11 4L2I NAD 3.04183
12 4YRY NAD 3.26087
13 1ZGA SAH 3.48525
14 1VL1 CIT 3.87931
15 5OCG GNP 4.2328
16 4TVD BGC 4.55764
17 6GAS FAD 4.83384
18 4C3Y ANB 5.09383
19 4C3Y FAD 5.09383
20 4D42 NAP 5.31915
21 4D42 W0I 5.31915
22 4XJC TTP 5.64972
23 5NC9 8SZ 5.66802
24 1GY8 NAD 6.16622
25 4YWV SSN 6.16622
26 4OBW SAM 6.22568
27 1I2B NAD 6.70241
28 1I2B UPG 6.70241
29 1I2B USQ 6.70241
30 4JWK CTN 6.73575
31 1BZL FAD 6.97051
32 6ACS CIT 6.97674
33 2PHT MAN MAN MAN 8.73016
34 5A9A UTP 9.87654
35 1S4M LUM 9.89761
36 4J56 FAD 10.5263
37 2XG5 EC5 10.9827
38 2XG5 EC2 10.9827
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