Receptor
PDB id Resolution Class Description Source Keywords
4WV8 1.83 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A RECOMBINANT VATAIREA MACROCARPA SEED COMPLEXED WITH LACTOSE VATAIREA MACROCARPA RECOMBINANT LECTIN LEGUME DALBERGIEAE SUGAR BINDING PROT
Ref.: STRUCTURAL CHARACTERIZATION OF A VATAIREA MACROCARP IN COMPLEX WITH A TUMOR-ASSOCIATED ANTIGEN: A NEW T CANCER RESEARCH. INT.J.BIOCHEM.CELL BIOL. V. 72 27 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
D:301;
C:301;
B:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MN C:302;
B:302;
D:302;
A:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
GLC GAL E:1;
G:1;
H:1;
F:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U36 1.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A SEED LECTIN FROM VATAIREA MACROCARPA WITH TN-ANTIGEN VATAIREA MACROCARPA LECTIN LEGUME DALBERGIEAE TN-ANTIGEN SUGAR BINDING PROTE
Ref.: HIGH-RESOLUTION STRUCTURE OF A NEW TN ANTIGEN-BINDI FROM VATAIREA MACROCARPA AND A COMPARATIVE ANALYSIS TN-BINDING LEGUME LECTINS. INT.J.BIOCHEM.CELL BIOL. V. 59C 103 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4WV8 - GLC GAL n/a n/a
2 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
3 4U36 - SER A2G n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
2 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
3 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
4 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
5 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
6 4WV8 - GLC GAL n/a n/a
7 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
8 4U36 - SER A2G n/a n/a
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5T55 Kd = 0.68 nM BGC GAL GLA NGA n/a n/a
2 5T54 Kd = 0.87 nM GLA FUC A2G n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MMA MAN n/a n/a
9 2ARB Ka = 26000 M^-1 MAN NAG n/a n/a
10 1N3Q - FRU GLC n/a n/a
11 2AR6 Ka = 63000 M^-1 MAN MAN MAN NAG NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - MAG GAL FUC FUC n/a n/a
17 1GSL - MAG FUC GAL FUC n/a n/a
18 1V00 - BGC GAL n/a n/a
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - BGC GAL n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM BGC GAL n/a n/a
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM BGC GAL FUC n/a n/a
30 3ZYR Kd = 4.6 uM NAG ASN NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MMA MAN n/a n/a
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - GLC GAL n/a n/a
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - SER A2G n/a n/a
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MMA MAN n/a n/a
44 5EYY - MMA MAN n/a n/a
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - MGC GAL n/a n/a
48 6VC4 Kd = 360 uM QWG C22 H37 N3 O14 S2 CO[C@@H]1[....
49 6VGF Kd = 180 uM WA3 C42 H68 N6 O27 S4 c1c(nnn1C[....
50 2DV9 - GAL GAL n/a n/a
51 1V6K - GLC GAL n/a n/a
52 1V6L - BGC GAL n/a n/a
53 2DVD - GAL GAL n/a n/a
54 6VC3 Kd = 482 uM QWJ C15 H24 O9 S2 C#CCSC[C@@....
55 2TEP - NGA GAL n/a n/a
56 6V95 Kd = 495 uM QSG C32 H48 N10 O20 c1c(nnn1[C....
57 6VAV Kd = 690 uM QTY C32 H48 N10 O16 c1c(nnn1[C....
58 2DVB - GAL C6 H12 O6 C([C@@H]1[....
59 1V6I - GLC GAL n/a n/a
60 6VAW Kd = 1563 uM S3W C20 H33 N5 O12 CO[C@@H]1[....
61 2PEL Ki = 1.37 mM BGC GAL n/a n/a
62 1G9F - GAL NAG GAL NAG GAL n/a n/a
63 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
64 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
65 2ZMK - EGA GLA n/a n/a
66 2D3S - SER A2G n/a n/a
67 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GAL; Similar ligands found: 153
No: Ligand Similarity coefficient
1 GLC GAL 1.0000
2 BGC GAL 0.9939
3 GLC BGC 0.9708
4 MGL GAL 0.9644
5 PA1 GCS 0.9638
6 BMA GAL 0.9621
7 BGC BGC 0.9620
8 BGC Z9D 0.9601
9 ABL 0.9534
10 SHG BGC 0.9495
11 FRU GAL 0.9492
12 NOY BGC 0.9473
13 GLC GLC 0.9449
14 GCS GCS 0.9448
15 BGC OXZ 0.9401
16 GCU BGC 0.9395
17 9MR 0.9371
18 IFM BGC 0.9339
19 SGC BGC 0.9325
20 MGL SGC 0.9323
21 GAL NOK 0.9310
22 NOK GAL 0.9310
23 GAL NGT 0.9309
24 NGT GAL 0.9309
25 BMA BGC 0.9303
26 YIO GAL 0.9301
27 145 0.9284
28 NDG GAL 0.9259
29 FUC GAL 0.9248
30 NAG GAL 0.9240
31 GAL GC2 0.9214
32 MAN BMA 0.9167
33 IDC 0.9114
34 GAL GAL 0.9109
35 BMA BMA 0.9105
36 LOG GAL 0.9094
37 ISX 0.9080
38 43S 0.9071
39 GAL GLA 0.9062
40 IFM BMA 0.9056
41 BGC GLC 0.9028
42 4WS GAL 0.9010
43 MHD GAL 0.9006
44 JRO 0.8990
45 MAV BEM 0.8980
46 BEM LGU 0.8965
47 A2G GAL 0.8955
48 MBG GAL 0.8920
49 NGA GAL 0.8910
50 MA1 GLC 0.8908
51 LAM 0.8904
52 64I 0.8886
53 NAG GCD 0.8880
54 NAG GAD 0.8880
55 6GR 0.8879
56 IXM 0.8874
57 NAG GC4 0.8870
58 GAL FUC 0.8851
59 ZT2 0.8848
60 GRI 0.8844
61 BQZ 0.8840
62 636 0.8840
63 BEM BEM 0.8834
64 CZ0 0.8829
65 LG7 0.8823
66 683 0.8822
67 DTK 0.8806
68 GWD 0.8804
69 9CE 0.8804
70 TXQ 0.8803
71 BGC SGA 0.8792
72 MYG 0.8786
73 SGC GLC 0.8781
74 19E 0.8774
75 6EN 0.8773
76 EZB 0.8771
77 MNY 0.8764
78 MGC GAL 0.8761
79 7D0 0.8752
80 DSQ 0.8745
81 GCO GAL 0.8744
82 NXB 0.8741
83 BNY 0.8738
84 HFZ 0.8738
85 CC6 0.8737
86 38E 0.8728
87 HO4 0.8727
88 XYS XYP 0.8724
89 HDU 0.8722
90 NDG GAD 0.8710
91 9RM 0.8706
92 MMA XYP 0.8705
93 JMS 0.8705
94 2HN 0.8704
95 581 0.8703
96 XYP XYP 0.8698
97 K3Q 7CV 0.8695
98 JY4 0.8693
99 TGW 0.8693
100 MNX 0.8689
101 NOM 0.8689
102 GLO BGC 0.8686
103 LM7 0.8683
104 AFX 0.8680
105 GAL NPO 0.8676
106 147 0.8676
107 8SK 0.8669
108 DS8 0.8667
109 5I5 0.8667
110 E3Y 0.8667
111 43U 0.8667
112 E44 0.8663
113 553 0.8661
114 CB1 0.8654
115 XYP XIM 0.8651
116 MVL BMA 0.8651
117 56N 0.8651
118 DNQ 0.8650
119 CJZ 0.8648
120 LUM 0.8646
121 HNA 0.8645
122 17C 0.8645
123 EUN 0.8642
124 U19 0.8638
125 LFN 0.8636
126 1YE 0.8634
127 DY9 0.8632
128 XYS XYS 0.8625
129 GMP 0.8625
130 113 0.8625
131 47N 0.8619
132 MQS 0.8605
133 GAT 0.8604
134 B2X 0.8603
135 041 0.8596
136 TLF 0.8594
137 MTA 0.8590
138 6J3 0.8588
139 ID8 0.8585
140 RPP 0.8584
141 XIF XYP 0.8579
142 XYP XYS 0.8575
143 XDL XYP 0.8574
144 1FL 0.8564
145 BZC 0.8559
146 B2L 0.8554
147 LOX XYP 0.8551
148 WS6 0.8541
149 8WB 0.8538
150 FHI 0.8535
151 GN6 0.8535
152 ZJB 0.8531
153 ADN 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U36; Ligand: SER A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4u36.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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