Receptor
PDB id Resolution Class Description Source Keywords
3K0V 1.91 Å EC: 3.4.21.- REMOVAL OF SUGARS AND SUGARS-LIKE MOLECULES FROM THE SOLUTIO LOBE OF LACTOFERRIN: CRYSTAL STRUCTURE OF THE COMPLEX OF C-B ETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->4)GL UCOPYRANOSE AT 1.9 A RESOLUTION BOS TAURUS COMPLEX DEXTRIN C-LOBE ANTIBIOTIC ANTIMICROBIAL DISULFIGLYCOPROTEIN HYDROLASE ION TRANSPORT IRON IRON TRANSPORBINDING PHOSPHOPROTEIN PROTEASE SECRETED SERINE PROTEASTRANSPORT
Ref.: SPECIFIC INTERACTIONS OF C-TERMINAL HALF (C-LOBE) O LACTOFERRIN PROTEIN WITH EDIBLE SUGARS: BINDING AND STRUCTURAL STUDIES WITH IMPLICATIONS ON DIABETES. INT.J.BIOL.MACROMOL. V. 47 50 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO3 A:85;
Invalid;
none;
submit data
60.009 C O3 C(=O)...
FE A:84;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
NAG NAG B:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG MAN D:1;
C:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
n/a n/a
SO4 A:68;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
ZN A:81;
A:82;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
GLC GAL BGC E:1;
Valid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IB1 2.2 Å EC: 3.4.21.- STRUCTURAL BASIS OF THE PREVENTION OF NSAID-INDUCED DAMAGE O GASTROINTESTINAL TRACT BY C-TERMINAL HALF (C-LOBE) OF BOVINC OLOSTRUM PROTEIN LACTOFERRIN: BINDING AND STRUCTURAL STUDILO BE COMPLEX WITH INDOMETHACIN BOS TAURUS C-LOBE DRUGS METAL BINDING PROTEIN ANTIBIOTIC ANTIMICROBDISULFIDE BOND GLYCOPROTEIN HYDROLASE ION TRANSPORT IROTRANSPORT METAL-BINDING PHOSPHOPROTEIN PROTEASE SECRETEPROTEASE TRANSPORT
Ref.: THE STRUCTURAL BASIS FOR THE PREVENTION OF NONSTERO ANTIINFLAMMATORY DRUG-INDUCED GASTROINTESTINAL TRAC BY THE C-LOBE OF BOVINE COLOSTRUM LACTOFERRIN BIOPHYS.J. V. 97 3178 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3IB2 Kd = 480 uM IBP C13 H18 O2 CC(C)Cc1cc....
2 3IB1 Kd = 260 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
3 3KJ7 - GLC BGC BGC n/a n/a
4 3IAZ Kd = 330 uM AIN C9 H8 O4 CC(=O)Oc1c....
5 3K0V - GLC GAL BGC n/a n/a
6 3IB0 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3IB2 Kd = 480 uM IBP C13 H18 O2 CC(C)Cc1cc....
2 3IB1 Kd = 260 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
3 3KJ7 - GLC BGC BGC n/a n/a
4 3IAZ Kd = 330 uM AIN C9 H8 O4 CC(=O)Oc1c....
5 3K0V - GLC GAL BGC n/a n/a
6 3IB0 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1RYO - OXL C2 O4 C(=O)(C(=O....
2 3IB2 Kd = 480 uM IBP C13 H18 O2 CC(C)Cc1cc....
3 3IB1 Kd = 260 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
4 3KJ7 - GLC BGC BGC n/a n/a
5 3IAZ Kd = 330 uM AIN C9 H8 O4 CC(=O)Oc1c....
6 3K0V - GLC GAL BGC n/a n/a
7 3IB0 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
8 1IQ7 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GAL BGC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IB1; Ligand: IMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ib1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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