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: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 C 1 1
2 CAR 1 1
3 C5P 1 1
4 CDP 0.787879 0.985507
5 CTP 0.753623 0.985507
6 CDP MG 0.724638 0.916667
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 CDC 0.62963 0.8375
16 CDM 0.621951 0.881579
17 CXY 0.607143 0.930556
18 TKW 0.591549 0.985507
19 C3P 0.585714 0.956522
20 5HM 0.575342 0.944444
21 U5P 0.571429 0.941176
22 CSV 0.555556 0.917808
23 CSQ 0.555556 0.917808
24 1AA 0.554348 0.893333
25 C2P 0.541667 0.942857
26 PMT 0.540816 0.860759
27 DCM 0.540541 0.902778
28 DC 0.540541 0.902778
29 DKZ 0.521127 0.733333
30 91P 0.495146 0.839506
31 FN5 0.495146 0.858974
32 DOC 0.493333 0.902778
33 ICR 0.486842 0.861111
34 5BU 0.486842 0.876712
35 2AA 0.485714 0.683673
36 MCN 0.485714 0.807229
37 GPC 0.481481 0.829268
38 G C 0.481132 0.848101
39 5FU 0.48 0.876712
40 CSF 0.476636 0.858974
41 PCD 0.464286 0.770115
42 U A C C 0.463636 0.857143
43 C5P SIA 0.458716 0.88
44 YYY 0.451219 0.890411
45 CNU 0.45 0.915493
46 UDP 0.45 0.927536
47 44P 0.448718 0.888889
48 DCP 0.447059 0.890411
49 G G G C 0.442478 0.860759
50 A G C C 0.438596 0.858974
51 V12 0.43617 0.7375
52 NUP 0.435897 0.929577
53 GCQ 0.435294 0.890411
54 UTP 0.433735 0.927536
55 A U C C 0.429752 0.846154
56 2KH 0.428571 0.901408
57 UP6 0.428571 0.887324
58 NVG 0.427083 0.719512
59 G C C C 0.423729 0.871795
60 S5P 0.423077 0.853333
61 GEO 0.418919 0.77027
62 CH 0.417722 0.956522
63 H2U 0.415584 0.861111
64 UDP UDP 0.414634 0.898551
65 FNU 0.4125 0.88
66 JW5 0.4125 0.901408
67 8GM 0.411765 0.906667
68 DCZ 0.410959 0.77027
69 LDC 0.410959 0.77027
70 UPU 0.409091 0.9
71 BMP 0.405063 0.901408
72 BMQ 0.402597 0.885714
73 UNP 0.402299 0.901408
74 8OP 0.402299 0.853333
75 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: 45
This union binding pocket(no: 1) in the query (biounit: 2zwi.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DCP HBI 0.008648 0.41825 None
2 1XDS SAM 0.003227 0.41054 1.60858
3 1UP7 NAD 0.02219 0.40301 1.60858
4 2BJK NAD 0.002269 0.46491 1.87668
5 3TKY SAH 0.008076 0.41821 1.90217
6 3LST SAH 0.005151 0.40194 2.01149
7 4AT0 FAD 0.03618 0.41441 2.14477
8 2XIQ MLC 0.02679 0.40417 2.14477
9 3T7S SAM 0.01592 0.40208 2.23881
10 4IWN GEK 0.02364 0.40018 2.62009
11 5BSR COA 0.03635 0.41919 2.68097
12 5BSR AMP 0.03902 0.40786 2.68097
13 1ZPD DPX 0.02949 0.40205 2.68097
14 1YC5 NCA 0.02064 0.40866 2.84553
15 5JKG 6LF 0.03983 0.40286 2.89389
16 1DL5 SAH 0.01328 0.41697 3.15457
17 3UYK 0CX 0.01489 0.42409 3.21716
18 1UPR 4IP 0.007617 0.43477 3.25203
19 1YXM ADE 0.005873 0.42518 3.30033
20 4I8P NAD 0.006199 0.44138 3.75335
21 4G87 UD1 0.02306 0.4087 3.75335
22 2EFJ SAH 0.01596 0.40017 4.02145
23 2YK7 CSF 0.000005659 0.5711 4.29448
24 3IWJ NAD 0.006962 0.41752 4.55764
25 1YQC GLV 0.02145 0.40306 4.70588
26 1RYD GLC 0.008127 0.41967 4.82574
27 2WOX NDP 0.003417 0.4558 5.09383
28 2WME NAP 0.001572 0.40695 5.09383
29 4K49 HFQ 0.02656 0.41002 5.14706
30 1T90 NAD 0.01329 0.4221 5.63003
31 1O9J NAD 0.006887 0.43534 5.89812
32 1FP1 SAH 0.01034 0.40725 6.98925
33 4LH0 GLV 0.03294 0.40719 7.23861
34 3IAA TYD 0.01571 0.40413 7.5067
35 3RSC TYD 0.01893 0.40184 7.5067
36 1SQL GUN 0.01401 0.40352 7.53425
37 4CNK FAD 0.01685 0.42433 8.0429
38 3SVJ 4LI 0.01019 0.41503 8.37438
39 3GWZ SAH 0.004395 0.42277 9.21409
40 3GXO SAH 0.004176 0.4052 9.21409
41 4A0M NAD 0.01559 0.41856 9.38338
42 2UYQ SAM 0.004521 0.43114 10
43 4HDQ GNP 0.02008 0.40659 11.3772
44 3LCV SAM 0.01607 0.40851 13.1673
45 4V3C C 0.00000000004785 0.80407 48.2574
Pocket No.: 2; Query (leader) PDB : 2ZWI; Ligand: C5P; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 2zwi.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HQP ATP 0.01825 0.40095 1.60858
2 4L2I FAD 0.02294 0.41437 3.04183
3 4L2I NAD 0.0328 0.41437 3.04183
4 2PA4 UPG 0.02711 0.4039 3.71517
5 4C3Y FAD 0.02729 0.41521 5.09383
6 4C3Y ANB 0.04645 0.4078 5.09383
7 4YWV SSN 0.03282 0.40201 6.16622
8 1I2B NAD 0.04547 0.41321 6.70241
9 2PHT MAN MAN MAN 0.01529 0.4037 8.73016
10 1S4M LUM 0.01386 0.41604 9.89761
11 2XG5 EC5 0.006183 0.42958 10.9827
12 2XG5 EC2 0.006183 0.42958 10.9827
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