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Receptor
PDB id Resolution Class Description Source Keywords
2NLQ 1.8 Å NON-ENZYME: OTHER HUMAN BETA-DEFENSIN-1 (MUTANT LYS31ALA) HOMO SAPIENS ANTIMICROBIAL CHEMOTACTIC DEFENSIN MUTANT ANTIMICROBIAL
Ref.: STUDIES OF THE BIOLOGICAL PROPERTIES OF HUMAN BETA-1. J.BIOL.CHEM. V. 282 1819 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY D:401;
Valid;
none;
submit data
75.067 C2 H5 N O2 C(C(=...
GOL D:501;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:301;
B:302;
C:303;
C:304;
D:305;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NLQ 1.8 Å NON-ENZYME: OTHER HUMAN BETA-DEFENSIN-1 (MUTANT LYS31ALA) HOMO SAPIENS ANTIMICROBIAL CHEMOTACTIC DEFENSIN MUTANT ANTIMICROBIAL
Ref.: STUDIES OF THE BIOLOGICAL PROPERTIES OF HUMAN BETA-1. J.BIOL.CHEM. V. 282 1819 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2NLQ - GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2NLQ - GLY C2 H5 N O2 C(C(=O)O)N
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2NLQ - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 1 1
2 BAL 0.5625 0.708333
3 ABU 0.473684 0.708333
4 MCR 0.466667 0.65
5 2RA 0.421053 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NLQ; Ligand: GLY; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2nlq.bio4) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 3H0A D30 None
Pocket No.: 2; Query (leader) PDB : 2NLQ; Ligand: GLY; Similar sites found with APoc: 57
This union binding pocket(no: 2) in the query (biounit: 2nlq.bio5) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5K9B FMN None
2 5J5R 6G1 None
3 5J5R IMP None
4 2Q2Y ADP None
5 2Q2Y MKR None
6 5XC5 GTP None
7 2CUL FAD None
8 4R74 F6P None
9 1V25 ANP None
10 6AMI TRP None
11 1Q9I TEO None
12 1Q9I FAD None
13 1G3Q ADP None
14 1NJF ADP None
15 2OQ2 A3P None
16 3IIJ ADP None
17 3HDY GDU None
18 3HDY FDA None
19 3B20 NAD None
20 6C99 EQY None
21 1OE0 TTP None
22 4BQS K2Q None
23 4BQS ADP None
24 2WK9 PLG None
25 3FG2 FAD None
26 6EQS BV8 None
27 3MMG GLU THR VAL ARG PHE GLN SER ASP None
28 3IQE H4M None
29 4H2D FMN None
30 5C5H 4YB 5.55556
31 5AHM IMP 8.33333
32 2WSB NAD 8.33333
33 5JWI ARG GLU 8.33333
34 1WA5 GTP 11.1111
35 5DI9 GNP 11.1111
36 5UWP GNP 11.1111
37 5HSA FAS 11.1111
38 5UWS GNP 11.1111
39 4Z87 5GP 13.8889
40 5GXU FMN 13.8889
41 2F5Z FAD 13.8889
42 4Z0G 5GP 13.8889
43 3RNM FAD 13.8889
44 4AF0 IMP 13.8889
45 2BNF UTP 16.6667
46 2BNE U5P 16.6667
47 1AG9 FMN 16.6667
48 1E3W NAD 16.6667
49 5LNQ CAA 16.6667
50 2OHH FMN 16.6667
51 1F74 NAY 19.4444
52 1CLU DBG 22.2222
53 2BO4 FLC 25
54 4C3Y ANB 27.7778
55 4C3Y FAD 27.7778
56 1RM6 FAD 30.5556
57 4MO2 FAD 33.3333
Pocket No.: 3; Query (leader) PDB : 2NLQ; Ligand: GLY; 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: 2nlq.bio10) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2NLQ; Ligand: GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2nlq.bio7) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2NLQ; Ligand: GLY; 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: 2nlq.bio8) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2NLQ; Ligand: GLY; 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: 2nlq.bio9) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2NLQ; Ligand: GLY; Similar sites found with APoc: 18
This union binding pocket(no: 7) in the query (biounit: 2nlq.bio11) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2DC1 NAD None
2 2WET FAD None
3 1L2T ATP None
4 1O6Z NAD None
5 4RPL 3UC None
6 4RPL FAD None
7 3W8X FAD None
8 3W8X FTK None
9 5TSH ANP 8.33333
10 4YRY NAD 11.1111
11 4YRY FAD 11.1111
12 1SQA UI1 11.1111
13 6GAR FAD 11.1111
14 1V59 NAD 13.8889
15 6AA8 NAD 22.2222
16 2VVL FAD 25
17 2IXE ATP 25
18 4MO2 FDA 33.3333
Pocket No.: 8; Query (leader) PDB : 2NLQ; Ligand: GLY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2nlq.bio6) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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