Receptor
PDB id Resolution Class Description Source Keywords
2ZL7 1.35 Å NON-ENZYME: OTHER ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS NORWALK VIRUS NOROVIRUS NORWALK VIRUS HBGA HISTO-BLOOD GROUP ANTIGEN CARBOHYDRATE VP1 P-DOMAIN VIRAL PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS PROC.NATL.ACAD.SCI.USA V. 105 9175 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:520;
B:521;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:1;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FUC GAL NGA B:1;
Valid;
none;
submit data
532.516 n/a O(C1O...
MG A:519;
B:520;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZL7 1.35 Å NON-ENZYME: OTHER ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS NORWALK VIRUS NOROVIRUS NORWALK VIRUS HBGA HISTO-BLOOD GROUP ANTIGEN CARBOHYDRATE VP1 P-DOMAIN VIRAL PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS PROC.NATL.ACAD.SCI.USA V. 105 9175 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5N7M - GLC GAL FUC n/a n/a
2 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
3 2ZL7 - FUC GAL NGA n/a n/a
4 3D26 - NGA GAL FUC n/a n/a
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4RDL - FUC GAL NDG FUC n/a n/a
2 4RDK - FUC NDG GAL FUC n/a n/a
3 5N7M - GLC GAL FUC n/a n/a
4 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
5 2ZL7 - FUC GAL NGA n/a n/a
6 3D26 - NGA GAL FUC n/a n/a
7 4P25 - FUC GAL NAG FUC n/a n/a
8 4P3I - GAL NAG FUC n/a n/a
9 4P2N - GAL NAG FUC n/a n/a
10 4P26 - A2G GAL NAG FUC n/a n/a
11 4P1V - FUC GAL NAG n/a n/a
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
15 4Z4Z - FUC GLA GLA n/a n/a
16 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
17 3Q3A - FUL GAL NAG n/a n/a
18 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
19 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
20 4Z4Y - FUC GLA GLA n/a n/a
21 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
22 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
23 3PA2 - FUC GAL NAG FUC n/a n/a
24 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
25 3Q38 - FUC GAL GLA n/a n/a
26 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
27 3PA1 - FUC GAL A2G n/a n/a
28 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q39 - FUC GAL n/a n/a
30 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
31 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
32 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
33 4RM0 - FUC NAG GAL n/a n/a
34 3PUN - FUC GAL NDG FUC n/a n/a
35 3PVD - SIA GAL NDG FUC n/a n/a
36 4RDL - FUC GAL NDG FUC n/a n/a
37 4RDK - FUC NDG GAL FUC n/a n/a
38 3R6K - FUC GAL GLA n/a n/a
39 5N7M - GLC GAL FUC n/a n/a
40 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
41 2ZL7 - FUC GAL NGA n/a n/a
42 3D26 - NGA GAL FUC n/a n/a
43 4P25 - FUC GAL NAG FUC n/a n/a
44 4P3I - GAL NAG FUC n/a n/a
45 4P2N - GAL NAG FUC n/a n/a
46 4P26 - A2G GAL NAG FUC n/a n/a
47 4P1V - FUC GAL NAG n/a n/a
48 2OBS - FUC GL0 A2G n/a n/a
49 2OBT - FUC GAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GAL NGA; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC GAL NGA 1 1
2 GLA GLA FUC 0.671429 0.755556
3 GAL GAL FUC 0.671429 0.755556
4 FUC GLA GLA 0.671429 0.755556
5 FUC GAL GLA 0.671429 0.755556
6 GLA GAL FUC 0.671429 0.755556
7 A2G GLA FUC 0.580247 0.93617
8 FUC GLA A2G 0.580247 0.93617
9 FUC GL0 A2G 0.580247 0.93617
10 NGA GAL FUC 0.580247 0.93617
11 FUC GAL A2G 0.580247 0.93617
12 A2G GAL FUC 0.580247 0.93617
13 FUC GAL 0.513889 0.733333
14 GLA MAN ABE 0.47619 0.723404
15 FUC BGC GAL 0.45679 0.755556
16 BGC GLA GAL FUC 0.454545 0.755556
17 GLC GAL FUC 0.445783 0.755556
18 FUC LAT 0.445783 0.755556
19 LAT FUC 0.445783 0.755556
20 BGC GAL FUC 0.445783 0.755556
21 FUC GAL GLC 0.445783 0.755556
22 NAG GAL FUC 0.438202 0.93617
23 DR3 0.438202 0.93617
24 FUC NAG 0.426829 0.914894
25 XYS GAL FUC 0.425287 0.73913
26 NAG GAL FUC FUC A2G 0.415842 0.88
27 FUC GAL NAG A2G FUC 0.415842 0.88
28 GAL NDG FUC 0.41573 0.93617
29 FUC NDG GAL 0.41573 0.93617
30 GAL NAG FUC 0.41573 0.93617
31 FUC NAG GAL 0.41573 0.93617
32 BGC FUC GAL FUC A2G 0.414141 0.916667
33 GLC FUC GAL FUC A2G 0.414141 0.916667
34 FUC GAL NAG FUC 0.413043 0.916667
35 FUC NAG GAL FUC 0.413043 0.916667
36 BCW 0.413043 0.916667
37 GAL NAG FUC FUC 0.413043 0.916667
38 BDZ 0.413043 0.916667
39 GAL NDG FUC FUC 0.413043 0.916667
40 FUC NDG GAL FUC 0.413043 0.916667
41 FUC GAL NDG FUC 0.413043 0.916667
42 DR2 0.411111 0.93617
43 FUL GAL NAG 0.411111 0.93617
44 FUC GAL NAG 0.411111 0.93617
45 NDG GAL FUC 0.411111 0.93617
46 FUC GAL NDG 0.411111 0.93617
47 A2G GAL BGC FUC 0.41 0.93617
48 A2G GAL NAG FUC 0.41 0.88
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZL7; Ligand: FUC GAL NGA; Similar sites found: 88
This union binding pocket(no: 1) in the query (biounit: 2zl7.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.001068 0.4457 None
2 2BOS GLA GAL 0.001616 0.40433 None
3 2XVD AS6 0.002191 0.47152 1.35593
4 3X01 AMP 0.002961 0.42017 1.69492
5 4H3P ANP 0.006906 0.42929 2.0339
6 4NST ADP 0.0108 0.42194 2.0339
7 3Q60 ATP 0.01242 0.41539 2.0339
8 5LRT ADP 0.02164 0.41152 2.0339
9 5HES 032 0.02016 0.40885 2.0339
10 3FW9 SLX 0.02851 0.40111 2.0339
11 3BP1 GUN 0.007311 0.41691 2.06897
12 5JFS 6K0 0.008957 0.45009 2.37288
13 4EUU BX7 0.00569 0.44466 2.37288
14 2ZIF SAM 0.005559 0.44375 2.37288
15 1BYG STU 0.006279 0.43133 2.51799
16 2GQS ADP 0.01814 0.40669 2.53165
17 4CYI ATP 0.009032 0.42503 2.71186
18 2OO8 RAJ 0.01713 0.41346 2.71186
19 4J75 TYM 0.04424 0.40387 2.71186
20 1YQC GLV 0.006415 0.43646 2.94118
21 4Q0L V14 0.01197 0.42519 3.04183
22 2B9H ADP 0.005743 0.43597 3.05085
23 4G17 0VN 0.0228 0.40072 3.05085
24 3E7O 35F 0.0149 0.42701 3.38983
25 3SRV S19 0.01009 0.42089 3.61011
26 4F4P 0SB 0.02896 0.43088 3.663
27 4FFG LBS 0.005543 0.40852 3.72881
28 2CWH PYC 0.03606 0.4078 3.72881
29 4I8P NAD 0.0479 0.40461 3.72881
30 3TTZ 07N 0.01392 0.4048 4.0404
31 2XK9 XK9 0.01052 0.44321 4.0678
32 3ETG GTP 0.01942 0.43736 4.0678
33 5A3T MMK 0.04917 0.40093 4.0678
34 1KZN CBN 0.01885 0.4069 4.39024
35 3PLS ANP 0.003583 0.44567 4.40678
36 5UIU 8CG 0.00708 0.44557 4.40678
37 1F06 NDP 0.02619 0.41781 4.40678
38 1F06 2NP 0.02619 0.41781 4.40678
39 4L3L 5FI 0.03357 0.40906 4.40678
40 3ZXE PGZ 0.007314 0.41058 4.51128
41 2YAK OSV 0.005467 0.44765 4.5614
42 5A6N U7E 0.008015 0.42751 4.59364
43 5ML3 DL3 0.02004 0.42869 4.69799
44 4YLL 4E3 0.01147 0.42833 4.74576
45 4U44 3D9 0.007728 0.42817 4.74576
46 4BCM T7Z 0.01181 0.40677 4.74576
47 3QP8 HL0 0.01487 0.40826 4.8913
48 1CBK ROI 0.005358 0.4232 5
49 1TMM HHR 0.0159 0.42522 5.06329
50 1TMM APC 0.01676 0.42522 5.06329
51 4IJP 1EH 0.001448 0.47114 5.08475
52 4GJ3 0XP 0.006879 0.4466 5.08475
53 3TXO 07U 0.01015 0.41824 5.08475
54 3O0G 3O0 0.01478 0.41002 5.13699
55 1UNH IXM 0.01802 0.40358 5.13699
56 2HK5 1BM 0.00193 0.46226 5.18518
57 2XMY CDK 0.01035 0.45991 5.42373
58 5CEO 50D 0.006853 0.43222 5.42373
59 3UDZ ADP 0.02264 0.40368 5.42373
60 5FBN 5WF 0.007095 0.44767 5.53506
61 3VQ2 LP4 LP5 MYR DAO 0.02392 0.42936 5.55556
62 4C2V YJA 0.02214 0.41317 5.61404
63 1JIF CU BLM 0.01808 0.41639 5.7377
64 2VSS ACO 0.01741 0.40752 5.7971
65 2GQR ADP 0.01402 0.41321 5.90717
66 4I94 ANP 0.008682 0.42394 6.1017
67 1Q8Y ADP 0.02238 0.40663 6.1017
68 1Q8Y ADE 0.01408 0.40152 6.1017
69 4ASE AV9 0.005409 0.44845 6.44068
70 5UKL SIX 0.01934 0.42254 6.45161
71 5EOB 5QQ 0.002766 0.48757 6.77966
72 4USF 6UI 0.006757 0.43856 6.77966
73 3V8S 0HD 0.01347 0.41514 6.77966
74 2H8H H8H 0.01213 0.41302 7.11864
75 2YAB AMP 0.01549 0.41264 7.11864
76 2A4W BLM 0.02859 0.41169 7.24638
77 4YZC STU 0.005569 0.45422 7.79661
78 3NW7 LGV 0.004085 0.47353 8.13559
79 5LVP ATP 0.00885 0.41688 8.13559
80 1K3A ACP 0.01146 0.41464 8.13559
81 5MW8 ATP 0.02137 0.41034 8.13559
82 4U0I 0LI 0.003495 0.46315 8.47458
83 2X4Z X4Z 0.02767 0.41367 8.47458
84 4CLI 5P8 0.02791 0.42551 8.81356
85 2J7T 274 0.02429 0.4167 11.5254
86 1PHK ATP 0.01097 0.42311 12.8814
87 4Y8D 49J 0.005055 0.40048 16.4286
88 5JKG 6LF 0.01211 0.43736 20
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