Receptor
PDB id Resolution Class Description Source Keywords
4ICS 1.97 Å EC: 3.4.11.- CRYSTAL STRUCTURE OF PEPS FROM STREPTOCOCCUS PNEUMONIAE IN C WITH A SUBSTRATE STREPTOCOCCUS PNEUMONIAE PEPS AMINOPEPTIDASE CLAN MQ HYDROLASE
Ref.: STRUCTURE-BASED ELUCIDATION OF THE REGULATORY MECHA AMINOPEPTIDASE ACTIVITY. ACTA CRYSTALLOGR.,SECT.D V. 69 1738 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP GLY B:503;
A:503;
 Valid;
Valid;
 none;
none;
 submit data
260.273 n/a O=C(N...
ZN B:502;
A:501;
B:501;
A:502;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ICS 1.97 Å EC: 3.4.11.- CRYSTAL STRUCTURE OF PEPS FROM STREPTOCOCCUS PNEUMONIAE IN C WITH A SUBSTRATE STREPTOCOCCUS PNEUMONIAE PEPS AMINOPEPTIDASE CLAN MQ HYDROLASE
Ref.: STRUCTURE-BASED ELUCIDATION OF THE REGULATORY MECHA AMINOPEPTIDASE ACTIVITY. ACTA CRYSTALLOGR.,SECT.D V. 69 1738 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4ICS - TRP GLY n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4ICS - TRP GLY n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ICS - TRP GLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TRP GLY; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP GLY 1 1
2 LTN 0.631579 0.744186
3 TRP 0.6 0.704545
4 DTR 0.6 0.704545
5 VSK 0.581081 0.692308
6 TR7 0.5625 0.638298
7 GLU ASP ASN ASP TRP ASN 0.506329 0.795918
8 LYS TRP 0.487179 0.891304
9 4Z9 0.484375 0.608696
10 3IL 0.484375 0.608696
11 ASP TRP ASN 0.47561 0.795918
12 MET ASN TRP ASN ILE 0.465909 0.735849
13 61P 0.450549 0.607143
14 R38 0.447368 0.770833
15 R59 0.447368 0.770833
16 TYR GLU TRP 0.444444 0.764706
17 TSR 0.442623 0.697674
18 ACE GLU TRP TRP TRP 0.435294 0.76
19 TRP GLU GLU LEU 0.431818 0.764706
20 LYS TRP LYS 0.425287 0.836735
21 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.42 0.709091
22 IAG 0.414286 0.866667
23 9A5 0.411215 0.610169
24 PCA ASN TRP 0.402174 0.784314
Similar Ligands (3D)
Ligand no: 1; Ligand: TRP GLY; Similar ligands found: 39
No: Ligand Similarity coefficient
1 41L 0.9301
2 103 0.9059
3 6U5 0.8955
4 KMG 0.8922
5 100 0.8884
6 5ER 0.8882
7 Q2S 0.8839
8 TMP 0.8811
9 WDT 0.8806
10 1Q2 0.8794
11 1Q1 0.8768
12 AV4 0.8762
13 1RB 0.8748
14 2JP 0.8742
15 5V3 0.8735
16 SNP 0.8720
17 C4F 0.8720
18 88S 0.8719
19 7RP 0.8712
20 IGP 0.8696
21 IPL 0.8685
22 D9Q 0.8680
23 5P7 0.8674
24 159 0.8666
25 C0V 0.8663
26 WG8 0.8646
27 3RC 0.8636
28 LIT 0.8633
29 8WW 0.8625
30 4ZF 0.8600
31 BDE 0.8598
32 RKY 0.8596
33 5HG 0.8595
34 BZH 0.8583
35 MTI 0.8576
36 FUL PK6 0.8560
37 3WO 0.8555
38 3WN 0.8555
39 RAY 0.8551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ICS; Ligand: TRP GLY; 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: 4ics.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ICS; Ligand: TRP GLY; 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: 4ics.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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