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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 209 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 175 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 149 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 with APoc: 151
This union binding pocket(no: 1) in the query (biounit: 1lcf.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1C0I FAD 1.10193
2 1C0I BE2 1.10193
3 1E5D FMN 1.49254
4 1FC4 AKB PLP 1.49626
5 5UY8 AMZ 1.4975
6 1QMG APX 1.52672
7 2VTD LKM 1.5919
8 2WET FAD 1.76125
9 1QO8 FAD 1.76678
10 1KAO GDP 1.79641
11 1N9G NAP 1.81347
12 4NW6 2NS 1.85759
13 1T57 FMN 1.94175
14 4PIV NDP 1.9697
15 4AMV F6R 1.97044
16 3H5N ATP 1.983
17 1X9I G6Q 1.98676
18 5IUW IAC 2.01207
19 1U1W 3HA 2.01342
20 2CKM AA7 2.02578
21 5E4R NAP 2.04082
22 5OJ7 AR6 2.0979
23 5FJN FAD 2.19298
24 5FJN BE2 2.19298
25 2VBA P4T 2.21675
26 1JAY NAP 2.35849
27 4GXQ ATP 2.37154
28 2VHW NAI 2.38727
29 3X0Y FMN 2.39808
30 4PIO AVI 2.47678
31 4PIO SAH 2.47678
32 3JZ4 NAP 2.4948
33 5LV1 78T 2.5
34 1PS9 NAP 2.53353
35 6GAQ FMN 2.5974
36 5Y9D FAD 2.60492
37 1VPV PLM 2.66667
38 3KCC CMP 2.69231
39 1GQ2 NAP 2.7027
40 5YSS NAD 2.73438
41 2H8H H8H 2.80374
42 5VEG FMN 2.80899
43 1T36 U 2.87958
44 1CER NAD 3.02115
45 4L2I FAD 3.04183
46 1U7Z PMT 3.09735
47 4ONA UW1 3.09917
48 1I1D COA 3.10559
49 1I1D 16G 3.10559
50 2JFN GLU 3.15789
51 1B8O IMH 3.16901
52 3WGT FAD 3.17003
53 3WGT QSC 3.17003
54 5L2M 6ZY 3.19361
55 1MGP PLM 3.19489
56 1XG5 NAP 3.22581
57 3WBF NAP 3.27869
58 5L13 6ZE 3.2882
59 3AXB PRO 3.34821
60 3AXB FAD 3.34821
61 4HEQ FMN 3.42466
62 1RE8 BD2 3.42857
63 4J1Q NDP 3.44828
64 2WME NAP 3.46939
65 2WOX NDP 3.47648
66 5J1J ANP 3.50877
67 6B5G NAD 3.65112
68 6B5G CQY 3.65112
69 1E3I CXF 3.7234
70 2Y5D NAP 3.74532
71 3IWJ NAD 3.77734
72 3EYA FAD 3.82514
73 1P4A PCP 3.85965
74 1B1C FMN 3.8674
75 3CTL S6P 3.8961
76 4YBN FAD 4.01786
77 4ZGS NAD 4.14508
78 1O9J NAD 4.19162
79 3NYC FAD 4.19948
80 3NYC IAR 4.19948
81 1UZ8 MAG FUC GAL 4.24528
82 4QEK GLC 4.31894
83 1XJD STU 4.34783
84 3ORF NAD 4.38247
85 5XSS XYP 4.43038
86 2E5V FAD 4.44915
87 3I8P 840 4.44965
88 3T7S SAM 4.47761
89 4KU7 PCG 4.57516
90 5XSJ XYP 4.57516
91 5KJZ PCG 4.66667
92 4IVN BMX 4.67626
93 5F5N NAD 4.84429
94 5EJ2 NAD 4.87013
95 3Q9L ATP 5
96 4NV0 MG7 5.01567
97 6AYI C3G 5.02513
98 3W6G FLC 5.09259
99 5JAX 6J7 5.18518
100 3IID APR 5.21327
101 4M73 M72 5.34125
102 4M73 SAH 5.34125
103 4RSL FAD 5.39326
104 1V1A KDG 5.50162
105 5YJI SAH 5.6338
106 4PXL NAD 5.99613
107 4H2D FMN 6.06061
108 4RJK TPP 6.1296
109 4OFG PCG 6.25
110 4MUV PCG 6.33803
111 1OQC FAD 6.4
112 5VHC BEF ADP 6.5123
113 5UAO FAD 6.65434
114 5K9B FMN 6.66667
115 4JBI NDP 6.75676
116 4RZ3 ADP 6.77966
117 1IHU ADP 6.79117
118 2RL1 UD1 6.83962
119 2WC1 FMN 7.14286
120 2VVT DGL 7.24138
121 1EIX BMQ 7.34694
122 3KJI ADP 7.48031
123 2BJK NAD 7.55814
124 4BMO FMN 7.56302
125 2H29 DND 7.93651
126 5I39 FAD 8.08823
127 3Q3H UDP 8.24891
128 4XVU ATP 8.26087
129 5KBF CMP 8.30565
130 3OCP CMP 8.63309
131 3JRS A8S 8.65385
132 3F6R FMN 9.45946
133 5ODQ 9SB 10
134 1RP0 AHZ 10.2113
135 1ZEM NAD 10.3053
136 5ZYN FAD 11.2527
137 2DWU DGL 11.9565
138 3SHR CMP 12.0401
139 5LPG 71V 12.1951
140 3D3W NAP 12.2951
141 1RLJ FMN 13.6691
142 5OCG 9R5 14.8148
143 3RG9 WRA 17.0833
144 3RG9 NDP 17.0833
145 1BVY FMN 17.2775
146 4XTR ATP 18.9189
147 5BV6 35G 19.7368
148 6FA4 D1W 20.8092
149 3KAP FMN 21.0884
150 5LS7 ACO 26.8293
151 1CLU DBG 27.1084
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