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Receptor
PDB id Resolution Class Description Source Keywords
1G1T 1.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX HOMO SAPIENS LECTIN EGF ADHESION MOLECULE SLEX IMMUNE SYSTEM MEMBRANE PROTEIN
Ref.: INSIGHTS INTO THE MOLECULAR BASIS OF LEUKOCYTE TETHERING AND ROLLING REVEALED BY STRUCTURES OF P-AND E-SELECTIN BOUND TO SLE(X) AND PSGL-1. CELL(CAMBRIDGE,MASS.) V. 103 467 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:160;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
SIA GAL MAG FUC A:601;
Valid;
none;
submit data
833.767 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G1T 1.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX HOMO SAPIENS LECTIN EGF ADHESION MOLECULE SLEX IMMUNE SYSTEM MEMBRANE PROTEIN
Ref.: INSIGHTS INTO THE MOLECULAR BASIS OF LEUKOCYTE TETHERING AND ROLLING REVEALED BY STRUCTURES OF P-AND E-SELECTIN BOUND TO SLE(X) AND PSGL-1. CELL(CAMBRIDGE,MASS.) V. 103 467 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 1G1T - SIA GAL MAG FUC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1G1T - SIA GAL MAG FUC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1G1T - SIA GAL MAG FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL MAG FUC; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL MAG FUC 1 1
2 SIA GAL NDG FUC 0.833333 0.962264
3 NDG FUC SIA GAL 0.833333 0.962264
4 NAG FUC SIA GAL 0.833333 0.962264
5 SIA GLA NAG FUC 0.833333 0.962264
6 SIA GAL NAG FUC 0.833333 0.962264
7 FUC NDG GAL SIA 0.833333 0.962264
8 SIA GLA NGS FUC 0.733333 0.761194
9 NGA GAL SIA 0.666667 0.962264
10 SIA GAL A2G 0.666667 0.962264
11 SIA GAL BGC 0.660714 0.924528
12 GAL BGC SIA 0.660714 0.924528
13 NAG SIA GAL 0.660714 0.962264
14 BGC SIA GAL 0.660714 0.924528
15 SIA GAL GLC 0.660714 0.924528
16 BGC GAL SIA 0.660714 0.924528
17 GLA GLC SIA 0.660714 0.924528
18 GAL SIA NGA GAL SIA 0.65812 0.962264
19 SIA GAL NAG GAL 0.641026 0.944444
20 SIA GAL NAG 0.62931 0.910714
21 SIA GAL NAG SIA 0.625 0.944444
22 BGC GAL SIA SIA GAL NGA 0.624 0.962264
23 BGC GAL SIA NGA GAL SIA 0.624 0.962264
24 SIA SIA GAL NGA GAL SIA 0.617188 0.944444
25 BGC SIA SIA GAL 0.612903 0.944444
26 SIA SIA GLA BGC 0.612903 0.944444
27 SIA GAL NDG SIA 0.61157 0.910714
28 NAG GAL NGC 0.608333 0.925926
29 SIA SIA GAL NGA GAL 0.6 0.944444
30 SIA GAL NGS 0.593496 0.761194
31 NGC MBG 0.590909 0.943396
32 SIA GAL NGA GAL 0.590164 0.962264
33 GAL SIA NGA GAL 0.590164 0.962264
34 GAL SIA 0.588785 0.924528
35 BGC GAL SIA NGA GAL 0.581395 0.962264
36 SIA GAL BGC NGA GAL 0.581395 0.962264
37 GAL NGA GAL BGC SIA 0.581395 0.962264
38 GAL NGA SIA GAL BGC 0.581395 0.962264
39 GAL NGA GAL SIA 0.577236 0.944444
40 NGC GAL NGA POL AZI 0.569231 0.757576
41 MN0 GAL GLC 0.566667 0.888889
42 SGA MAG FUC 0.563636 0.757576
43 SIA 2FG 0.558559 0.859649
44 BGC GAL CEQ SLB NGA GAL SIA SIA 0.554795 0.83871
45 SIA 2FG NAG 0.54918 0.894737
46 SLT 0.546219 0.90566
47 4U2 0.546219 0.943396
48 SIA SIA GAL 0.546219 0.944444
49 MAG FUC GAL 0.538462 0.886792
50 SIA GAL BGC 16C 0.537931 0.809524
51 SIA GAL 0.535714 0.888889
52 SIA GAL NGA 0.532787 0.962264
53 SIA GAL BGC NGA 0.530769 0.962264
54 GAL BGC SIA NGA 0.530769 0.962264
55 BGC GAL SIA NGA 0.530769 0.962264
56 BGC 18C GAL SIA 0.530612 0.809524
57 SIA GAL SIA BGC NGA 0.5 0.944444
58 SIA NAG GAL 0.5 0.910714
59 SIA GAL SIA GLC NGA 0.5 0.944444
60 G4S MAG FUC 0.5 0.731343
61 GAL TNR SIA 0.48855 0.910714
62 SIA NAG GAL GAL 0.480916 0.944444
63 NAG GAL SIA 0.480315 0.944444
64 BGC 18C GAL NGA SIA GAL 0.47561 0.809524
65 SIA GAL NAG GAL BGC 0.471429 0.944444
66 BGC GAL NAG SIA GAL 0.471429 0.944444
67 SIA GAL NAG GAL GLC 0.471429 0.944444
68 SIA GAL SIA BGC NGA CEQ 0.467532 0.8
69 GAL NAG SIA GAL 0.455882 0.944444
70 FUC NAG GLA GAL 0.453782 0.867925
71 GAL NAG GAL FUC 0.444444 0.849057
72 GLA NAG GAL FUC 0.444444 0.849057
73 4U0 0.438462 0.888889
74 4U1 0.435115 0.925926
75 SIA SIA SIA 0.434426 0.962264
76 SLB SIA 0.420168 0.962264
77 SIA SIA 0.420168 0.962264
78 SIA WIA 0.418033 0.894737
79 SLB SIA SIA 0.416667 0.962264
80 SIA SIA SIA SIA SIA SIA SIA 0.416667 0.962264
81 GAL NDG FUC 0.415929 0.849057
82 FUC NDG GAL 0.415929 0.849057
83 MNA 0.411215 0.886792
84 GLC GAL NAG GAL FUC FUC 0.410853 0.867925
85 BGC GAL NAG GAL FUC FUC 0.410853 0.867925
86 FUC GAL NAG GAL FUC 0.406504 0.867925
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1G1T; Ligand: SIA GAL MAG FUC; Similar sites found with APoc: 90
This union binding pocket(no: 1) in the query (biounit: 1g1t.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1TMM HHR None
2 1TMM APC None
3 4G9N NGA None
4 2BW7 APC 2.54777
5 2BW7 ECS 2.54777
6 3C1X CKK 2.54777
7 4UXH T5A 2.54777
8 5DRB 5FJ 3.18471
9 2NZU BG6 3.18471
10 5IXH OTP 3.18471
11 1ELI PYC 3.18471
12 3T7S SAM 3.18471
13 5MM0 GDD 3.82166
14 2PVF ACP 3.82166
15 1P7T ACO 3.82166
16 6C0T EE4 3.82166
17 4HIA FMN 3.82166
18 2B9F ADP 3.82166
19 3RX5 CBI 3.82166
20 3RX5 G2I 3.82166
21 4LRJ ANP 3.82166
22 4HKP TKW 4.4586
23 2ZRU FMN 4.4586
24 5H3A D16 4.4586
25 4GAH 0ET 4.4586
26 6AC9 ANP 4.4586
27 1RNT 2GP 4.80769
28 2GJ5 VD3 5.09554
29 6C7Y ADP 5.09554
30 2PZI AXX 5.09554
31 4E1Z 0MX 5.09554
32 5BVE 4VG 5.73248
33 3E7O 35F 5.73248
34 4QTB 38Z 5.73248
35 2QX0 APC 5.73248
36 4AVV CD 5.73248
37 5KK4 44E 6.25
38 3GE7 AFQ 6.36943
39 3NRR UMP 6.36943
40 3NRR D16 6.36943
41 3DER ALA LYS 6.36943
42 3FHR P4O 6.36943
43 3KRL KRL 6.36943
44 2WSI FAD 7.00637
45 3G6K POP 7.64331
46 3G6K FAD 7.64331
47 4LO2 GAL BGC 7.64331
48 2Z49 AMG 7.64331
49 2Z48 NGA 7.64331
50 4EUO ABU 7.64331
51 4YZC STU 8.28025
52 5ETR APC 8.28025
53 5ETR 5RW 8.28025
54 5NBW 8SK 8.9172
55 2YAB AMP 8.9172
56 1W4R TTP 9.74359
57 4JAW NGT GAL 10.828
58 4JAW GAL NGT 10.828
59 1FFU CDP 10.828
60 4RGQ NDP 10.828
61 1DDU DDU 11.465
62 5H9Y BGC BGC BGC BGC 12.1019
63 3M2W L8I 15.9236
64 1PWB GLC GLC 17.1975
65 2GGX NPJ 17.1975
66 1PWB GLC 17.1975
67 4OUJ LBT 21.0191
68 3ALT MLB 21.6561
69 4WQQ MAN 27.6596
70 1SL6 GAL NDG FUC 31.8471
71 5KTI TRE 6X6 32.2148
72 1BCJ NGA 33.1169
73 5G6U YJM 33.121
74 1K9J NAG MAN MAN MAN NAG 34.5324
75 5M62 BGC 35.0993
76 5M62 GLC 35.0993
77 5JQ1 ZPF 35.1724
78 3WH2 FLC 35.3741
79 1SL4 MAN MAN MAN MAN 35.4839
80 4KZV TRE 35.8209
81 4DN8 BMA 35.8974
82 4ZES MMA 36.0544
83 3P7G MAN 36.3014
84 1JZN BGC GAL 37.037
85 3PAK MAN 37.1622
86 3VYK MMA MAN NAG MAN NAG NAG 40.3101
87 2OX9 GAL NAG FUC 41.4286
88 1TLG GAL 43.2
89 2MSB NAG BMA MAN MAN MAN MAN MAN 43.4783
90 1RDL MMA 44.2478
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