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Receptor
PDB id Resolution Class Description Source Keywords
3K3G 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE UREA TRANSPORTER FROM DESULFOVIBRIO BOUND TO 1,3-DIMETHYLUREA DESULFOVIBRIO VULGARIS MEMBRANE PROTEIN CHANNEL UREA TRANSPORT TRANSPORTER TRANPROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITNEW YORK CONSORTIUM ON MEMBRANE PROTEIN STRUCTURE NYCOMPS
Ref.: CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE K UREA TRANSPORTER. NATURE V. 462 757 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AU A:338;
A:339;
A:340;
A:341;
A:342;
A:343;
A:344;
A:345;
A:346;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
196.967 Au [Au+]
MMU A:347;
A:348;
Valid;
Valid;
none;
none;
ic50 = 1.4 mM
88.108 C3 H8 N2 O CNC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K3G 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE UREA TRANSPORTER FROM DESULFOVIBRIO BOUND TO 1,3-DIMETHYLUREA DESULFOVIBRIO VULGARIS MEMBRANE PROTEIN CHANNEL UREA TRANSPORT TRANSPORTER TRANPROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITNEW YORK CONSORTIUM ON MEMBRANE PROTEIN STRUCTURE NYCOMPS
Ref.: CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE K UREA TRANSPORTER. NATURE V. 462 757 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3K3G ic50 = 1.4 mM MMU C3 H8 N2 O CNC(=O)NC
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3K3G ic50 = 1.4 mM MMU C3 H8 N2 O CNC(=O)NC
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3K3G ic50 = 1.4 mM MMU C3 H8 N2 O CNC(=O)NC
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MMU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MMU 1 1
2 NMU 0.5 0.894737
3 XRG 0.428571 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 3k3g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5FII PHE None
2 4XIZ LPP None
3 1U1B PAX None
4 5IXG OTP 1.77515
5 3QXQ CE5 2.05882
6 3AI7 TPP 2.35294
7 3AHC TPP 2.35294
8 2JJQ SAH 2.35294
9 6DEN FAD 2.64706
10 6DEN TP9 2.64706
11 6DEN G8A 2.64706
12 2HOX P1T 2.64706
13 4M52 M52 2.94118
14 5MQ5 ASP 3.01205
15 5Z6T NAP 3.52941
16 6C4M NAP 3.82353
17 3LN0 52B 4.11765
18 2F59 INI 4.4586
19 3VPH NAD 4.51613
20 3VPH OXM 4.51613
21 2FR6 CTN 4.79452
22 1FP6 ADP 4.84429
23 2ZAT NAP 5
24 4QC6 30N 5.58659
25 3AB4 LYS 5.61798
26 1MI3 NAD 5.90062
27 1Y75 NAG 5.9322
28 1XVB 3BR 6.17647
29 5TWB FAD 6.76471
30 3ZIA ADP 9.11765
Pocket No.: 2; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3k3g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3k3g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 3k3g.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4DR9 BB2 1.5625
2 1WVG APR 2.35294
3 1BOB ACO 2.5
4 3QT6 2P0 3.31325
5 5FWA J7C 3.52941
6 2WLT ASP 3.91566
7 2AIB ERG 4.08163
8 6CFC BLG 4.11765
9 2BNE U5P 4.14938
10 5LW0 AR6 5.19481
11 5VFC 9BA 5.46624
12 2ZMF CMP 11.1111
Pocket No.: 5; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3k3g.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3k3g.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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