Receptor
PDB id Resolution Class Description Source Keywords
1ZGS 2.5 Å NON-ENZYME: BINDING PARKIA PLATYCEPHALA SEED LECTIN IN COMPLEX WITH 5-BROMO-4- CHLORO-3-INDOLYL-A-D-MANNOSE PARKIA PLATYCEPHALA BETA PRISM LECTIN X-MAN SUGAR BINDING PROTEIN
Ref.: THE FIRST CRYSTAL STRUCTURE OF A MIMOSOIDEAE LECTIN REVEALS A NOVEL QUATERNARY ARRANGEMENT OF A WIDESPREAD DOMAIN. J.MOL.BIOL. V. 353 574 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XMM A:450;
A:451;
A:452;
B:453;
B:454;
B:455;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
408.629 C14 H15 Br Cl N O6 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZGS 2.5 Å NON-ENZYME: BINDING PARKIA PLATYCEPHALA SEED LECTIN IN COMPLEX WITH 5-BROMO-4- CHLORO-3-INDOLYL-A-D-MANNOSE PARKIA PLATYCEPHALA BETA PRISM LECTIN X-MAN SUGAR BINDING PROTEIN
Ref.: THE FIRST CRYSTAL STRUCTURE OF A MIMOSOIDEAE LECTIN REVEALS A NOVEL QUATERNARY ARRANGEMENT OF A WIDESPREAD DOMAIN. J.MOL.BIOL. V. 353 574 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1ZGS - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
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 1ZGS - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
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 1ZGS - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XMM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 XMM 1 1
2 CWK 0.414634 0.740741
3 56N 0.405797 0.647059
4 GAT 0.4 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZGS; Ligand: XMM; Similar sites found: 104
This union binding pocket(no: 1) in the query (biounit: 1zgs.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BUK FAD 0.02431 0.43534 1.11857
2 4ZCC FAD 0.01592 0.43669 1.19048
3 4ZCC NAI 0.01592 0.43669 1.19048
4 2YVF FAD 0.02867 0.44201 1.47059
5 2YVF NAD 0.02933 0.44201 1.47059
6 3ZBQ GDP 0.0005542 0.49326 1.5015
7 4DSG FAD 0.02729 0.42789 1.566
8 4DSG UDP 0.02729 0.42789 1.566
9 1GPE FAD 0.03058 0.41682 1.566
10 1TDF NAP 0.04904 0.42491 1.58228
11 1TDF FAD 0.03009 0.42491 1.58228
12 2XMY CDK 0.02453 0.43719 1.67785
13 2BRY FAD 0.008017 0.45226 1.78971
14 1ZEM NAD 0.02621 0.40893 1.9084
15 1UXG NAD 0.03035 0.42188 1.94175
16 3LAD FAD 0.01728 0.42509 2.01342
17 5A1S FLC 0.01255 0.40159 2.01342
18 4NTC FAD 0.03119 0.42337 2.08955
19 4CLI 5P8 0.03343 0.41786 2.14067
20 16PK BIS 0.004242 0.46416 2.16867
21 4REP FAD 0.03847 0.41272 2.23714
22 5T2U NAP 0.02797 0.42114 2.41935
23 2RGJ FAD 0.01489 0.43618 2.48756
24 1LTH NAD 0.03064 0.41257 2.50784
25 5EB4 FAD 0.01202 0.44779 2.68456
26 5TTJ FAD 0.04691 0.40478 2.68456
27 4J36 FAD 0.01654 0.42236 2.89157
28 1EQ2 NAP 0.01996 0.42391 2.90323
29 4Z24 FAD 0.01484 0.44338 2.90828
30 2XVF FAD 0.01835 0.43424 2.90828
31 2XVE FAD 0.03086 0.4267 2.90828
32 3S5W NAP 0.01976 0.40137 2.90828
33 5TUK FAD 0.01523 0.43061 2.94118
34 2B9W FAD 0.02329 0.43009 3.06604
35 4D04 FAD 0.0082 0.46688 3.13199
36 4D04 NAP 0.0082 0.46688 3.13199
37 1VDC FAD 0.02507 0.4281 3.13199
38 1YY5 FAD 0.02738 0.41412 3.13199
39 1RSG FAD 0.03954 0.41175 3.13199
40 2Q8Z NUP 0.03088 0.40411 3.21637
41 1LYX PGA 0.007076 0.42801 3.22581
42 1ELI PYC 0.00901 0.45134 3.3419
43 4C3Y ANB 0.02942 0.42661 3.3557
44 2C7G ODP 0.03667 0.42432 3.3557
45 2C7G FAD 0.03758 0.42432 3.3557
46 1DMR PGD 0.04004 0.42297 3.3557
47 4C3Y FAD 0.03695 0.4172 3.3557
48 1P1C SAH 0.03807 0.40323 3.51759
49 1FL2 FAD 0.01481 0.43541 3.54839
50 5GM9 CBK 0.01297 0.42879 3.75587
51 1H82 FAD 0.03643 0.41661 3.80313
52 1H82 GZZ 0.04087 0.41661 3.80313
53 3ZJ0 ACO 0.04067 0.4024 3.8835
54 5BVA FAD 0.02589 0.43343 3.91198
55 3OVR 5SP 0.02005 0.40769 3.94737
56 2HQM FAD 0.01375 0.4314 4.02685
57 3UCL FAD 0.02873 0.43116 4.02685
58 3UCL CYH 0.02873 0.43116 4.02685
59 4CTA ATP 0.003413 0.45286 4.06091
60 4I5I NAD 0.03163 0.40163 4.18118
61 1REO FAD 0.007152 0.44922 4.25056
62 1NZY BCA 0.01345 0.42997 4.46097
63 1OFD FMN 0.03842 0.41048 4.47427
64 4HXY NDP 0.01746 0.42363 4.56621
65 5W10 CMP 0.03085 0.40076 4.61538
66 4GUT FAD 0.04366 0.40545 4.83871
67 3GMB FAD 0.007958 0.4519 5.06024
68 2CUN 3PG 0.0005347 0.44809 5.12195
69 2E5V FAD 0.008167 0.46006 5.14541
70 4NG2 OHN 0.01784 0.41515 5.30973
71 1V59 FAD 0.01116 0.44981 5.36913
72 1V59 NAD 0.02069 0.40157 5.36913
73 1LDN NAD 0.01974 0.4261 5.37975
74 5KZV HCD 0.02149 0.40441 5.51181
75 2GVC FAD 0.007027 0.44527 5.59284
76 1NVM NAD 0.04731 0.40218 6.08696
77 4YNU LGC 0.01081 0.44943 6.26398
78 4YNU FAD 0.01199 0.44582 6.26398
79 5J7X FAD 0.01144 0.44094 6.26398
80 1EU1 MGD 0.02275 0.4182 6.26398
81 2RAB NAD 0.01997 0.43775 6.71141
82 2RAB FAD 0.01207 0.43775 6.71141
83 3RYC GDP 0.01368 0.42686 6.99301
84 2FLI DX5 0.01517 0.41338 7.27273
85 4RPL 3UC 0.001594 0.51516 7.5188
86 2AG8 NAP 0.01962 0.40827 7.60456
87 5ITZ GDP 0.0198 0.41559 7.75194
88 5ITZ GTP 0.03267 0.40426 7.75194
89 4J56 FAD 0.03628 0.41083 7.89474
90 3AD8 NAD 0.03384 0.41534 8.08081
91 2Q2V NAD 0.005919 0.46123 8.23529
92 4MO2 FDA 0.002383 0.47846 8.42391
93 3GZ8 APR 0.01079 0.42467 8.64198
94 2F5Z FAD 0.01704 0.43369 9.375
95 2GAG FAD 0.02369 0.43153 10
96 2GAG FOA 0.02369 0.43153 10
97 4OHB 5HM 0.02096 0.40206 10.5263
98 2DC1 NAD 0.03081 0.40781 16.1017
99 3RNM FAD 0.01236 0.44181 17.2414
100 4ZNO SUC 0.000000118 0.59802 19.1045
101 3VY6 BGC BGC 0.00000002169 0.58873 28.3688
102 4LNU GDP 0.01569 0.41999 28.9941
103 5EYP GTP 0.03778 0.4002 33.1361
104 4AKB GAL 0.00002321 0.53438 40.6015
105 3LLZ GAL NGA 0.00001005 0.542 50
106 3R51 MMA 0.000002745 0.52888 50
Pocket No.: 2; Query (leader) PDB : 1ZGS; Ligand: XMM; 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: 1zgs.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ZGS; Ligand: XMM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1zgs.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ZGS; Ligand: XMM; 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: 1zgs.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ZGS; Ligand: XMM; 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: 1zgs.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1ZGS; Ligand: XMM; 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: 1zgs.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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