Receptor
PDB id Resolution Class Description Source Keywords
1LCF 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF COPPER-AND OXALATE-SUBSTITUTED HUMAN LA AT 2.0 ANGSTROMS RESOLUTION HOMO SAPIENS IRON TRANSPORT
Ref.: STRUCTURE OF COPPER- AND OXALATE-SUBSTITUTED HUMAN LACTOFERRIN AT 2.0 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 50 302 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO3 A:695;
Invalid;
none;
submit data
60.009 C O3 C(=O)...
CU A:693;
A:694;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+2...
NAG A:990;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
OXL A:696;
Valid;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LCF 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF COPPER-AND OXALATE-SUBSTITUTED HUMAN LA AT 2.0 ANGSTROMS RESOLUTION HOMO SAPIENS IRON TRANSPORT
Ref.: STRUCTURE OF COPPER- AND OXALATE-SUBSTITUTED HUMAN LACTOFERRIN AT 2.0 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 50 302 1994
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1LCF - OXL C2 O4 C(=O)(C(=O....
2 1BKA - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 1LCF - OXL C2 O4 C(=O)(C(=O....
2 1BKA - OXL C2 O4 C(=O)(C(=O....
3 4X1B - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 1DOT - NAG FUC n/a n/a
2 1LCF - OXL C2 O4 C(=O)(C(=O....
3 1BKA - OXL C2 O4 C(=O)(C(=O....
4 4X1B - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LCF; Ligand: OXL; Similar sites found: 79
This union binding pocket(no: 1) in the query (biounit: 1lcf.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1E5D FMN 0.02397 0.4056 1.49254
2 1FC4 AKB PLP 0.01181 0.41224 1.49626
3 1PKX XMP 0.006151 0.44414 1.52027
4 3MJE NDP 0.01843 0.43001 1.6129
5 2WET FAD 0.04006 0.41207 1.76125
6 1QO8 FAD 0.03265 0.41105 1.76678
7 1KAO GDP 0.0304 0.40144 1.79641
8 1N9G NAP 0.04578 0.40169 1.81347
9 4PIV NDP 0.02101 0.40367 1.9697
10 4AMV F6R 0.01352 0.40154 1.97044
11 2CKM AA7 0.02247 0.41041 2.02578
12 5FJN BE2 0.01765 0.42382 2.19298
13 5FJN FAD 0.0161 0.42382 2.19298
14 2VBA P4T 0.0367 0.40167 2.21675
15 1JAY NAP 0.03682 0.40622 2.35849
16 3X0Y FMN 0.04077 0.40152 2.39808
17 4PIO AVI 0.03427 0.41041 2.47678
18 4PIO SAH 0.03574 0.41041 2.47678
19 1PS9 NAP 0.0374 0.40932 2.53353
20 1VPV PLM 0.01842 0.41568 2.66667
21 3KCC CMP 0.01634 0.41153 2.69231
22 2H8H H8H 0.0351 0.41313 2.80374
23 1I1D 16G 0.02535 0.40449 3.10559
24 1I1D COA 0.02019 0.40002 3.10559
25 2JFN GLU 0.00801 0.42117 3.15789
26 1B8O IMH 0.00902 0.43598 3.16901
27 3WGT FAD 0.0398 0.41113 3.17003
28 3WGT QSC 0.04085 0.41113 3.17003
29 1ZK4 NAP 0.02987 0.40117 3.18725
30 1MGP PLM 0.01555 0.41201 3.19489
31 3WBF NAP 0.02491 0.41675 3.27869
32 4HEQ FMN 0.01378 0.42228 3.42466
33 1RE8 BD2 0.04432 0.40497 3.42857
34 4J1Q NDP 0.004736 0.44677 3.44828
35 2WME NAP 0.004631 0.4298 3.46939
36 2Y5D NAP 0.01099 0.41275 3.74532
37 3IWJ NAD 0.00194 0.44728 3.77734
38 3EYA FAD 0.01454 0.42957 3.82514
39 3CTL S6P 0.04556 0.4012 3.8961
40 4ZGS NAD 0.01581 0.42067 4.14508
41 3NYC FAD 0.04501 0.40854 4.19948
42 1UZ8 MAG FUC GAL 0.02905 0.41014 4.24528
43 4QEK GLC 0.01549 0.40105 4.31894
44 5XSS XYP 0.003292 0.42549 4.43038
45 2E5V FAD 0.01394 0.43502 4.44915
46 3T7S SAM 0.02446 0.40031 4.47761
47 5KJZ PCG 0.01193 0.41219 4.66667
48 3Q9L ATP 0.02068 0.40421 5
49 3W6G FLC 0.007121 0.40845 5.09259
50 2WQQ CSF 0.01955 0.40348 5.15464
51 3IID APR 0.03246 0.40673 5.21327
52 4M73 M72 0.03769 0.41439 5.34125
53 1V1A KDG 0.0119 0.40145 5.50162
54 4H2D FMN 0.02648 0.40285 6.06061
55 4RJK TPP 0.04755 0.40051 6.1296
56 4MUV PCG 0.009008 0.4271 6.33803
57 2HW1 ANP 0.04876 0.40814 6.37584
58 1OQC FAD 0.01733 0.40165 6.4
59 5UAO FAD 0.02147 0.42961 6.65434
60 2VVT DGL 0.00996 0.40359 7.24138
61 1EIX BMQ 0.01986 0.40715 7.34694
62 3KJI ADP 0.01739 0.40436 7.48031
63 2BJK NAD 0.01779 0.40986 7.55814
64 4BMO FMN 0.02538 0.4069 7.56302
65 2H29 DND 0.04785 0.41106 7.93651
66 3Q3H UDP 0.02611 0.40502 8.24891
67 5KBF CMP 0.01676 0.40657 8.30565
68 3JRS A8S 0.02018 0.4037 8.65385
69 3F6R FMN 0.005918 0.42036 9.45946
70 1RP0 AHZ 0.02588 0.40522 10.2113
71 2DWU DGL 0.007338 0.40757 11.9565
72 3D3W NAP 0.03274 0.4037 12.2951
73 1RLJ FMN 0.01986 0.41091 13.6691
74 4DSU BZI 0.00199 0.42876 14.8148
75 3RG9 WRA 0.03537 0.41129 17.0833
76 3RG9 NDP 0.03186 0.41129 17.0833
77 1BVY FMN 0.03495 0.40261 17.2775
78 5BV6 35G 0.01011 0.43339 19.7368
79 3KAP FMN 0.01356 0.4178 21.0884
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