-->
Receptor
PDB id Resolution Class Description Source Keywords
2BOI 1.1 Å NON-ENZYME: BINDING 1.1A STRUCTURE OF CHROMOBACTERIUM VIOLACEUM LECTIN CV2L IN COMPLEX WITH ALPHA-METHYL-FUCOSIDE CHROMOBACTERIUM VIOLACEUM LECTIN FUCOSE CHROMOBACTERIUM VIOLACEUM PSEUDOMONAS AERUGINOSA
Ref.: UNUSUAL ENTROPY DRIVEN AFFINITY OF CHROMOBACTER VIOLACEUM LECTIN CV-IIL TOWARDS FUCOSE AND MANNOSE BIOCHEMISTRY V. 45 7501 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
A:300;
B:500;
B:600;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MFU A:400;
B:700;
Valid;
Valid;
none;
none;
ic50 = 48 uM
178.183 C7 H14 O5 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BOI 1.1 Å NON-ENZYME: BINDING 1.1A STRUCTURE OF CHROMOBACTERIUM VIOLACEUM LECTIN CV2L IN COMPLEX WITH ALPHA-METHYL-FUCOSIDE CHROMOBACTERIUM VIOLACEUM LECTIN FUCOSE CHROMOBACTERIUM VIOLACEUM PSEUDOMONAS AERUGINOSA
Ref.: UNUSUAL ENTROPY DRIVEN AFFINITY OF CHROMOBACTER VIOLACEUM LECTIN CV-IIL TOWARDS FUCOSE AND MANNOSE BIOCHEMISTRY V. 45 7501 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
2 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
28 2WR9 Kd = 2.6 uM MAN MAN n/a n/a
29 2VNV Kd = 2.75 uM MMA C7 H14 O6 CO[C@@H]1[....
30 2WRA Kd = 26.9 uM MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MFU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 MFB 1 1
2 MFU 1 1
3 FSW 0.5 0.827586
4 KG1 0.452381 0.851852
5 AMG 0.410256 0.727273
6 MMA 0.410256 0.727273
7 MBG 0.410256 0.727273
8 GYP 0.410256 0.727273
9 2M5 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BOI; Ligand: MFU; Similar sites found with APoc: 101
This union binding pocket(no: 1) in the query (biounit: 2boi.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1B PAX None
2 2PWY SAH None
3 4Y9D NAI None
4 1SQL GUN None
5 4BVA T3 None
6 4BVA NDP None
7 5UR0 NAD None
8 1LSS NAD None
9 1S7G NAD None
10 4RL4 PPV None
11 4A3X LAT 2.65487
12 3OND NAD 2.65487
13 3OND ADN 2.65487
14 3FUU ADN 2.65487
15 4J4H 1J1 2.65487
16 4J4H NAI 2.65487
17 4JK3 NAD 2.65487
18 3EWP APR 2.65487
19 4HPP GLU 2.65487
20 5TUK FAD 3.53982
21 1RM4 NDP 3.53982
22 4QIJ 1HA 3.53982
23 1GKZ ADP 4.42478
24 3FGZ BEF 4.42478
25 1UMG 2FP 4.42478
26 5BRT FAD 4.42478
27 1LL2 UPG 4.42478
28 3VPD ANP 4.42478
29 1SQS TLA 4.42478
30 1VI2 NAD 4.66667
31 2BHZ MAL 5.30973
32 3Q9T FAY 5.30973
33 2WZF BGC 5.30973
34 3GFB NAD 5.30973
35 2O07 SPD 5.30973
36 2O07 MTA 5.30973
37 5BW4 SAM 5.30973
38 1TE2 PGA 6.19469
39 1RO7 CSF 6.19469
40 2PT9 2MH 6.19469
41 3GDN FAD 6.19469
42 2PT9 S4M 6.19469
43 2DFV NAD 6.19469
44 1V7C HEY 6.19469
45 1US5 GLU 6.19469
46 2ZKJ ADP 7.07965
47 2BNE U5P 7.07965
48 4YRY NAD 7.07965
49 4YRY FAD 7.07965
50 1ZEM NAD 7.07965
51 4EIL NDP 7.07965
52 5GWT SIN 7.07965
53 5GWT NAD 7.07965
54 2CDC XYS 7.9646
55 2CDC XYP 7.9646
56 1V8B NAD 7.9646
57 2CDC NAP 7.9646
58 1GPM CIT 7.9646
59 1F8G NAD 7.9646
60 4UUG PXG 7.9646
61 1Q9I TEO 8.84956
62 1Q9I FAD 8.84956
63 1ZXM ANP 8.84956
64 1QZR ANP 8.84956
65 1QZR CDX 8.84956
66 1B63 ANP 8.84956
67 1V6A TRE 8.84956
68 1BXK NAD 8.84956
69 6F3M NAD 9.73451
70 5IDM ANP 10.6195
71 5EYP GDP 10.6195
72 5J6Y GLC 11.5044
73 5J6Y BGC 11.5044
74 2ZJ1 NAD 11.5044
75 2ZJ1 ARJ 11.5044
76 1VPE ANP 11.5044
77 1SZ2 BGC 11.5044
78 1ORR NAD 11.5044
79 1GZ4 ATP 11.5044
80 4B7H NDP 11.5044
81 4DHY GLC 11.5044
82 1JQ3 AAT 11.5044
83 1NPD NAD 12.3894
84 5M67 NAD 13.2743
85 5M67 3D1 13.2743
86 5M67 ADE 13.2743
87 6F90 MVL 13.2743
88 5A1T OXM 14.1593
89 5A1T NAI 14.1593
90 4CNK FAD 15.0442
91 3NTD FAD 15.9292
92 3LU1 NAD 16.8142
93 4CE5 PDG 17.6991
94 4MCC 21X 18.5841
95 4GCZ ADP 19.469
96 5NWD 9C8 19.469
97 1EBF NAD 22.1239
98 2IZ1 ATR 22.1239
99 3NJ4 NAD 23.0089
100 4IF4 BEF 25.6637
101 1OMO NAD 26.5487
Pocket No.: 2; Query (leader) PDB : 2BOI; Ligand: MFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2boi.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BOI; Ligand: MFU; Similar sites found with APoc: 103
This union binding pocket(no: 3) in the query (biounit: 2boi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1P77 ATR None
2 3B1J NAD None
3 1M2K APR None
4 1S7G APR None
5 2AG5 NAD None
6 4J3L AJ5 None
7 5K2M ADP None
8 5CXI 5TW None
9 4R2M ANP None
10 4IJ6 SEP None
11 2IW1 U2F None
12 2VVT DGL None
13 2POC BG6 None
14 5EZ7 FAD 1.76991
15 5QB1 F1C 1.76991
16 5WDR GNP 1.76991
17 1WOQ BGC 1.87266
18 2EV9 SKM 2.28137
19 2EV9 NAP 2.28137
20 5A5W GUO 2.65487
21 4OOE NDP 2.65487
22 2GJ8 ALF GDP 2.65487
23 2CWH NDP 2.65487
24 3WGT FAD 3.53982
25 3WGT QSC 3.53982
26 4XO8 KGM 3.53982
27 3L4S 3PG 3.53982
28 3L4S NAD 3.53982
29 2Q1W NAD 3.53982
30 2X3F APC 4.42478
31 3CIF G3H 4.42478
32 6DVH FMN 4.42478
33 5EJ2 NAD 4.42478
34 3QV1 NAD 4.42478
35 1GZ6 NAI 4.42478
36 5AHO TLA 4.42478
37 1NYT NAP 4.42478
38 3CTY FAD 5.30973
39 3NYC FAD 5.30973
40 3NYC IAR 5.30973
41 4PYA 2X3 5.30973
42 3IHG FAD 5.30973
43 1JBW ACQ 5.30973
44 5XNC N4P 5.30973
45 2HK9 NAP 5.30973
46 6FA4 D1W 5.30973
47 4M4Q 21A 5.30973
48 3ZNN 4WL 6.19469
49 3ZNN FAD 6.19469
50 1VJT NAD 6.19469
51 1KYQ NAD 6.19469
52 4NBT NAD 6.19469
53 4NBU NAI 6.19469
54 3TM0 ANP 6.19469
55 3TM0 B31 6.19469
56 1DSS NAD 6.19469
57 2I7C AAT 6.19469
58 3ITJ FAD 7.07965
59 4U7W NDP 7.07965
60 1RYI GOA 7.07965
61 1I52 CTP 7.07965
62 1RYI FAD 7.07965
63 5Z49 RUB 7.07965
64 1X87 NAD 7.07965
65 4EIL FOL 7.07965
66 2VUT NAD 7.07965
67 3V1Y NAD 7.07965
68 1KEW NAD 7.9646
69 2GMH FAD 7.9646
70 2Q7V FAD 7.9646
71 3B2Q AES 7.9646
72 3ORF NAD 7.9646
73 1M21 PHE CSI LEU PHA 7.9646
74 3SJ7 NDP 7.9646
75 1SB8 NAD 8.84956
76 1U8X NAD 8.84956
77 4URF NAD 8.84956
78 5CK5 GDP 8.84956
79 4JWF SAH 8.84956
80 4JWH SAH 9.73451
81 6GNA FAD 10.6195
82 4RGQ 1GP 10.6195
83 4RGQ 13P 10.6195
84 3RYC GTP 10.6195
85 3CU0 UDP 11.5044
86 3CU0 GAL GAL SO4 11.5044
87 4YNU FAD 12.3894
88 4YNU LGC 12.3894
89 1EK6 NAI 12.3894
90 1EK6 UPG 12.3894
91 5JE8 NAD 12.3894
92 1Z45 NAD 12.3894
93 5A4W QCT 12.3894
94 6APV 3L4 13.2743
95 4WB7 ATP 13.2743
96 2VJM COA 13.2743
97 3A5Z KAA 14.1593
98 5W7D PX8 15.0442
99 4ZRN NAD 15.0442
100 4L2H AR6 AR6 15.0442
101 3FDZ DG2 16.8142
102 1P9P SAH 18.5841
103 3M0J OAF 19.469
Pocket No.: 4; Query (leader) PDB : 2BOI; Ligand: MFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2boi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback