Receptor
PDB id Resolution Class Description Source Keywords
1KJ1 2.2 Å NON-ENZYME: BINDING MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE ALLIUM SATIVUM BULB LECTIN MANNOSE PLANT PROTEIN
Ref.: RE-REFINEMENT USING REPROCESSED DATA TO IMPROVE THE QUALITY OF THE STRUCTURE: A CASE STUDY INVOLVING GARLIC LECTIN. ACTA CRYSTALLOGR.,SECT.D V. 58 414 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN A:300;
A:301;
A:302;
A:303;
D:304;
D:305;
D:306;
P:307;
P:308;
P:309;
P:310;
Q:311;
Q:312;
Q:313;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KJ1 2.2 Å NON-ENZYME: BINDING MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE ALLIUM SATIVUM BULB LECTIN MANNOSE PLANT PROTEIN
Ref.: RE-REFINEMENT USING REPROCESSED DATA TO IMPROVE THE QUALITY OF THE STRUCTURE: A CASE STUDY INVOLVING GARLIC LECTIN. ACTA CRYSTALLOGR.,SECT.D V. 58 414 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1KJ1 - MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1KJ1 - MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1KJ1 - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1kj1.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1kj1.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: 57
This union binding pocket(no: 3) in the query (biounit: 1kj1.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9C G3P 0.002509 0.42692 None
2 2Z6I FMN 0.02255 0.4072 None
3 3DJV C3P 0.03921 0.43185 1.83486
4 3DLS ADP 0.0175 0.40015 1.83486
5 4N65 AQN 0.01123 0.42929 2.75229
6 5DEY 59T 0.03068 0.41377 3.66972
7 1C1X NAD 0.02424 0.41102 3.66972
8 1BXG NAD 0.03484 0.40084 3.66972
9 3TAY MN0 0.0249 0.40558 4.58716
10 2V5X V5X 0.0286 0.41287 5.50459
11 4A4X JUP 0.0347 0.40597 5.50459
12 3N0Y APC 0.03421 0.40208 5.50459
13 4R81 FMN 0.02486 0.40115 6.31068
14 3NTY 5P3 0.04246 0.4097 6.42202
15 5M1Z 6LW AHR 0.0137 0.40455 6.42202
16 2DIO EOD 0.0184 0.40217 6.42202
17 2OVW CBI 0.01095 0.40182 6.42202
18 5K21 6QF 0.01444 0.40136 6.42202
19 2OO0 XAP 0.01041 0.40071 6.42202
20 1U1B PAX 0.01671 0.42542 7.33945
21 3SXS PP2 0.008461 0.41832 7.33945
22 4FG8 ATP 0.01498 0.40787 7.33945
23 2C42 TPP 0.02814 0.40633 7.33945
24 2C42 PYR 0.02814 0.40633 7.33945
25 5OO5 UUA 0.01345 0.40706 8.25688
26 1QY1 PRZ 0.02218 0.40222 8.25688
27 2Q0D ATP 0.004351 0.4579 9.17431
28 1OJJ GLC GAL 0.00478 0.42984 9.17431
29 1UNH IXM 0.01021 0.40919 9.17431
30 1XG4 ICT 0.01627 0.40448 9.17431
31 1OJK GLC BGC 0.01295 0.40272 9.17431
32 4I6G FAD 0.0185 0.41532 10.0917
33 4OCX MT1 0.01407 0.40894 10.0917
34 2Z6D FMN 0.02562 0.40116 10.0917
35 5DXT 5H5 0.0116 0.41999 11.0092
36 2IV2 MGD 0.03376 0.4088 11.0092
37 4R38 RBF 0.02359 0.40243 11.0092
38 3CV6 HXS 0.04901 0.401 11.0092
39 3CV6 NAP 0.04738 0.401 11.0092
40 2VF7 ADP 0.01983 0.40025 11.0092
41 1UU6 BGC BGC BGC BGC 0.0256 0.4125 11.9266
42 5JZJ AN2 0.01424 0.40451 11.9266
43 3KRB NAP 0.03228 0.40806 12.844
44 3ZG6 APR 0.01204 0.41762 13.7615
45 1EKO NAP 0.0497 0.41061 13.7615
46 2X05 X05 0.01277 0.40654 13.7615
47 1G42 CP2 0.007049 0.42228 14.6789
48 3IS2 FAD 0.02252 0.41613 17.4312
49 2Y88 2ER 0.04709 0.40078 18.3486
50 4B1M FRU FRU 0.01015 0.40264 21.1009
51 4ZU4 4TG 0.007749 0.42846 22.0183
52 1JJE BYS 0.0124 0.42011 22.0183
53 4IJR NDP 0.02742 0.40966 24.7706
54 3K4Z CBI 0.002557 0.41618 25.6881
55 2RG0 CTT 0.02381 0.41286 29.3578
56 4LED XXR 0.00000001213 0.63259 33.945
57 4GC1 MAN MAN 0.0000000001632 0.66962 43.1193
Pocket No.: 4; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1kj1.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1kj1.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1kj1.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1kj1.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: 55
This union binding pocket(no: 8) in the query (biounit: 1kj1.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I74 MAN MAN MAN MAN 0.004283 0.41473 None
2 1OGX EQU 0.00625 0.42552 1.83486
3 1PZ1 NAP 0.0256 0.41718 1.83486
4 4HIA FMN 0.01735 0.40781 1.83486
5 4MBY BGC SIA GAL 0.009931 0.41327 2.75229
6 5SVV FMN 0.01816 0.40791 2.75229
7 5A89 ADP 0.01269 0.41946 3.66972
8 5A89 FMN 0.01356 0.41946 3.66972
9 3V4S ATP 0.01854 0.41478 3.66972
10 5W3Y ACO 0.014 0.40994 3.66972
11 2F57 23D 0.01873 0.40521 3.66972
12 3AI3 SOL 0.0139 0.40012 3.66972
13 2I0D MUT 0.04982 0.41615 4.0404
14 2GQR ADP 0.01063 0.40639 4.58716
15 2ARC ARA 0.0113 0.4037 4.58716
16 2MJP ANP 0.01282 0.40104 4.58716
17 3VSS FRU 0.003191 0.40415 5.50459
18 1X9Q FLU 0.02185 0.40794 6.34328
19 5MZI FYK 0.02171 0.43137 6.42202
20 5MZI FAD 0.02123 0.43137 6.42202
21 1U08 PLP 0.004197 0.42939 6.42202
22 1EWJ BLM 0.01087 0.42262 6.42202
23 2GSU AMP 0.008248 0.43754 7.33945
24 4K3H 1OM 0.007203 0.43034 7.33945
25 4OKZ 3E9 0.03101 0.40633 7.33945
26 4PIV 2W4 0.006889 0.42041 8.25688
27 3NT6 COA 0.01604 0.40957 8.25688
28 4H3Q ANP 0.01352 0.40903 8.25688
29 3WCZ NAP 0.02871 0.40255 8.25688
30 3NW7 LGV 0.005146 0.44812 9.17431
31 4CRL C1I 0.01322 0.43055 9.17431
32 1XE7 GUN 0.006194 0.41927 9.17431
33 1DMR PGD 0.03177 0.41708 9.17431
34 1FLR FLU 0.03315 0.40544 10.0917
35 1T66 FLU 0.02643 0.40089 10.0917
36 5I8T LAC 0.003166 0.42609 11.0092
37 3K5I ADP 0.01517 0.41894 11.9266
38 3K5I AIR 0.02572 0.41894 11.9266
39 2RDQ AKG 0.01448 0.41519 12.844
40 5M67 ADE 0.007619 0.45675 13.7615
41 1YKD CMP 0.01087 0.4161 15.5963
42 4Q0L V14 0.02353 0.40487 15.5963
43 1VBJ NAP 0.02846 0.40352 15.5963
44 3H4T UDP 0.009094 0.43118 16.5138
45 5W0N UPU 0.007611 0.40245 16.5138
46 1H4H XYP XYS XYP 0.01175 0.405 17.4312
47 5DEX 5E0 0.03738 0.40563 18.3486
48 4MAE PQQ 0.008251 0.42872 20.1835
49 5HMR FDZ 0.02142 0.40431 20.1835
50 3WVR AMP 0.01885 0.40455 21.1009
51 1JNR FAD 0.03672 0.41389 22.0183
52 4GCZ FMN 0.009912 0.4087 22.9358
53 2B9H ADP 0.008108 0.42141 26.6055
54 2B9F ADP 0.01081 0.41183 26.6055
55 2B9J ADP 0.01356 0.40311 26.6055
Pocket No.: 9; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1kj1.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1kj1.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1kj1.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1kj1.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1kj1.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1KJ1; Ligand: MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1kj1.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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