-->
Receptor
PDB id Resolution Class Description Source Keywords
4P87 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF EST-Y29, A NOVEL PENICILLIN-BINDING PRO LACTAMASE HOMOLOG FROM A METAGENOMIC LIBRARY METAGENOME HYDROLASE PENICILLIN-BINDING PROTEIN BETA-LACTAMASE METAG
Ref.: CRYSTALLOGRAPHIC ANALYSIS AND BIOCHEMICAL APPLICATI NOVEL PENICILLIN-BINDING PROTEIN/ BETA-LACTAMASE HO FROM A METAGENOMIC LIBRARY. ACTA CRYSTALLOGR.,SECT.D V. 70 2455 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4NP A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
219.089 C6 H6 N O6 P c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P87 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF EST-Y29, A NOVEL PENICILLIN-BINDING PRO LACTAMASE HOMOLOG FROM A METAGENOMIC LIBRARY METAGENOME HYDROLASE PENICILLIN-BINDING PROTEIN BETA-LACTAMASE METAG
Ref.: CRYSTALLOGRAPHIC ANALYSIS AND BIOCHEMICAL APPLICATI NOVEL PENICILLIN-BINDING PROTEIN/ BETA-LACTAMASE HO FROM A METAGENOMIC LIBRARY. ACTA CRYSTALLOGR.,SECT.D V. 70 2455 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4P87 - 4NP C6 H6 N O6 P c1cc(ccc1[....
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 4P87 - 4NP C6 H6 N O6 P c1cc(ccc1[....
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 4P87 - 4NP C6 H6 N O6 P c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4NP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 4NP 1 1
2 B4N 0.714286 0.866667
3 PNP 0.694444 0.906977
4 GWM 0.527778 0.619048
5 NCH 0.520833 0.629032
6 4NS 0.487179 0.76
7 BPM 0.461538 0.613636
8 NPE 0.45283 0.716981
9 K4V 0.439024 0.75
10 HPS 0.432432 0.634146
11 PGG 0.423729 0.625
12 NPO 0.416667 0.756098
13 PNE 0.403226 0.655738
14 PDE 0.403226 0.655738
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: 59
This union binding pocket(no: 1) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6FP4 E1T 1.24688
2 3QLM PLM 1.6129
3 4P8K 38C 1.74564
4 4P8K FAD 1.74564
5 3HB5 NAP 1.83486
6 1Y0G 8PP 2.09424
7 1NZY BCA 2.23048
8 1JXZ BCA 2.23048
9 5FAG PPI 2.24439
10 5NI5 8YB 2.43056
11 1G0N PHH 2.4735
12 1G0N NDP 2.4735
13 5APK 76E 2.64151
14 4WPF 3SN 2.65152
15 1AJS PLA 2.74314
16 4I4Z 2NE 2.90909
17 5IXK 6EW 3.07018
18 6CI9 NAP 3.0888
19 1Q6O LG6 3.24074
20 3UCL NAP 3.2419
21 3UCL CYH 3.2419
22 3UCL FAD 3.2419
23 6ER9 FAD 3.2419
24 6ER9 NAP 3.2419
25 1W7F ICT 3.25733
26 2W41 ADP 3.49127
27 4Y30 49L 3.7037
28 2ZD8 MER 3.77358
29 1Q5H DUD 4.08163
30 5GWT NAD 4.31655
31 2WSB NAD 4.72441
32 1U1W 3HA 5.03356
33 5WQP NCA 5.12821
34 3GGO NAI 5.23691
35 3GGO ENO 5.23691
36 1PZO CBT 5.32319
37 1XKQ NDP 5.35714
38 4I42 1HA 5.96491
39 4QIJ 1HA 5.98802
40 2I8T GDD 6.58683
41 1SB8 UD2 6.81818
42 4JF5 FLC 6.99588
43 4OOP DUP 7.22892
44 6G1P CIT 7.71429
45 4CQM NAP 8.04598
46 2IHU TP9 8.97756
47 4CFS HQD 9.05923
48 3BY9 SIN 9.23077
49 1VFS DCS 9.58549
50 5NTW 98N 10
51 5X8Q 82R 13.6364
52 6HDT BTN 14.2857
53 3EW2 BTN 18.5185
54 2EFX NFA 19.8347
55 5ZA2 NXL 20.339
56 1PI5 SM2 22.6257
57 1YQS BSA 23.7822
58 1GXS BEZ 25.9494
59 3HLF SIM 27.0833
Pocket No.: 2; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: 20
This union binding pocket(no: 5) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4MIB 28M 1.24688
2 5UFN SAH 2.10084
3 6ESN BWE 2.62172
4 3KMZ EQO 2.63158
5 4RQL SNE 2.74314
6 1T9D FAD 2.99252
7 5TA6 79D 3.2419
8 5GWT SIN 4.31655
9 5OJI ISN 4.61538
10 5OJI NAP 4.61538
11 2DKN NAI 4.70588
12 4JNJ BTN 5.21739
13 4E1O PLP PVH 5.48628
14 6AM8 PLT 5.80808
15 4C01 QY9 6.73759
16 1IY8 NAD 6.74157
17 1SB8 NAD 6.81818
18 4Z28 BTN 7.46269
19 1UPA TPP 7.73067
20 2IHT TPP 7.73067
Pocket No.: 6; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4P87; Ligand: 4NP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4P87; Ligand: 4NP; 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: 4p87.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback