Receptor
PDB id Resolution Class Description Source Keywords
2BO9 1.6 Å EC: 3.-.-.- HUMAN CARBOXYPEPTIDASE A4 IN COMPLEX WITH HUMAN LATEXIN. HOMO SAPIENS METALLOCARBOXYPEPTIDASE X-RAY CRYSTAL STRUCTURE ENDOGENOUSINHIBITOR LATEXIN METALLOPROTEASE CARBOXYPEPTIDASE HYDRO
Ref.: STRUCTURE OF HUMAN CARBOXYPEPTIDASE A4 WITH ITS END PROTEIN INHIBITOR, LATEXIN. PROC.NATL.ACAD.SCI.USA V. 102 3978 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACN L:13;
Invalid;
none;
submit data
58.079 C3 H6 O CC(=O...
MPD L:1;
L:10;
L:11;
L:12;
L:2;
L:3;
L:4;
L:5;
L:6;
L:7;
L:8;
L:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NAG A:901;
C:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
VAL A:998;
C:998;
Valid;
Valid;
none;
none;
submit data
117.146 C5 H11 N O2 CC(C)...
ZN A:999;
C:999;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BO9 1.6 Å EC: 3.-.-.- HUMAN CARBOXYPEPTIDASE A4 IN COMPLEX WITH HUMAN LATEXIN. HOMO SAPIENS METALLOCARBOXYPEPTIDASE X-RAY CRYSTAL STRUCTURE ENDOGENOUSINHIBITOR LATEXIN METALLOPROTEASE CARBOXYPEPTIDASE HYDRO
Ref.: STRUCTURE OF HUMAN CARBOXYPEPTIDASE A4 WITH ITS END PROTEIN INHIBITOR, LATEXIN. PROC.NATL.ACAD.SCI.USA V. 102 3978 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 2BO9 - VAL C5 H11 N O2 CC(C)[C@@H....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 2BO9 - VAL C5 H11 N O2 CC(C)[C@@H....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 2BO9 - VAL C5 H11 N O2 CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VAL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL 1 1
2 THR 0.65 0.714286
3 DAL 0.611111 0.882353
4 ALA 0.611111 0.882353
5 ILE 0.565217 0.727273
6 HGY 0.473684 0.608696
7 DBB 0.454545 0.681818
8 ABA 0.454545 0.681818
9 LEU 0.44 0.772727
10 CDV 0.407407 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BO9; Ligand: VAL; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 2bo9.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PTZ PAH 0.01359 0.41026 3.15315
2 4S00 AKR 0.00848 0.41063 4.05405
3 3OZ2 OZ2 0.0434 0.40527 4.22078
4 4UTW RFW 0.01548 0.4074 4.36681
5 5EOB 5QQ 0.04112 0.421 4.5045
6 2RAB FAD 0.03998 0.41722 4.95496
7 1VPV PLM 0.02025 0.41601 4.95496
8 4PIO AVI 0.03601 0.4097 4.95496
9 4PIO SAH 0.03762 0.4097 4.95496
10 3PQB VGP 0.02057 0.40829 4.95496
11 3SM2 478 0.02178 0.42569 5.30303
12 1CZI PRO PHI SMC NOR 0.02146 0.40892 5.40541
13 2PVF ACP 0.01512 0.40792 6.30631
14 3W9Z FMN 0.02181 0.40358 6.30631
15 3C1X CKK 0.007988 0.4295 6.49351
16 5JFS 6K0 0.02953 0.41939 6.75676
17 3RI1 3RH 0.03601 0.40141 6.75676
18 3ORF NAD 0.04062 0.40355 7.56972
19 3PLS ANP 0.01668 0.40576 7.65766
20 1EBG PAH 0.00755 0.42712 7.79817
21 4BVA T3 0.04871 0.40735 8.11688
22 1M5W DXP 0.03432 0.41188 8.64198
23 3NFZ 3NF 0.0001709 0.50027 9.45946
24 5D2R 56W 0.000005812 0.46783 10.0649
25 1P7T ACO 0.03101 0.40205 10.0649
26 4K33 ACP 0.01265 0.4157 10.8108
27 1REQ DCA 0.03465 0.41908 13.0631
28 2YG2 FLC 0.005152 0.44585 15.6977
29 2YG2 S1P 0.004157 0.44585 15.6977
Pocket No.: 2; Query (leader) PDB : 2BO9; Ligand: VAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2bo9.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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