Receptor
PDB id Resolution Class Description Source Keywords
1TZM 2.08 Å EC: 3.5.99.7 CRYSTAL STRUCTURE OF ACC DEAMINASE COMPLEXED WITH SUBSTRATE CHLORO-D-ALANINE PSEUDOMONAS SP. ACCD COMPLEX CRYSTAL PLP SUBSTRATE HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF PSEUDOMONAS 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE COMPLEX INSIGHT INTO THE MECHANISM OF A UNIQUE PYRIDOXAL-5'-PHOSPHATE DEPENDENT CYCLOPROPANE RING-REACTION BIOCHEMISTRY V. 43 13328 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C2N A:501;
C:502;
Valid;
Valid;
none;
none;
submit data
123.538 C3 H6 Cl N O2 C([C@...
PLP B:401;
D:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
PLP NAK A:401;
C:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
n/a n/a
SO4 B:701;
D:702;
Invalid;
Invalid;
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
1TZJ 1.99 Å EC: 3.5.99.7 CRYSTAL STRUCTURE OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMI COMPLEXED WITH D-VINYL GLYCINE PSEUDOMONAS SP. ACCD SUBSTRATE PLP CRYSTAL COMPLEX HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF PSEUDOMONAS 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE COMPLEX INSIGHT INTO THE MECHANISM OF A UNIQUE PYRIDOXAL-5'-PHOSPHATE DEPENDENT CYCLOPROPANE RING-REACTION BIOCHEMISTRY V. 43 13328 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
2 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
3 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
3 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
4 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
5 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
3 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
4 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
5 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
6 4D99 - SER C3 H7 N O3 C([C@@H](C....
7 4D9E - LCS C11 H14 N3 O7 P Cc1c(c(c(c....
8 4D97 - DSN C3 H7 N O3 C([C@H](C(....
9 4D96 - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
10 4D9C - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
11 4D9B - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C2N; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 C2N 1 1
2 2RA 0.571429 0.703704
3 ABA 0.571429 0.782609
4 DSN 0.571429 0.730769
5 DBB 0.571429 0.782609
6 SER 0.571429 0.730769
7 CYS 0.545455 0.791667
8 DCY 0.545455 0.791667
9 DAS 0.521739 0.666667
10 ASP 0.521739 0.666667
11 DAB 0.5 0.678571
12 HSE 0.5 0.655172
13 HCS 0.48 0.730769
14 API 0.48 0.642857
15 AS2 0.48 0.72
16 LEU 0.48 0.72
17 NVA 0.48 0.692308
18 CSS 0.461538 0.703704
19 HL5 0.448276 0.703704
20 GGL 0.444444 0.666667
21 GLU 0.444444 0.666667
22 DGL 0.444444 0.666667
23 GLN 0.444444 0.6
24 DGN 0.444444 0.6
25 ALA 0.428571 0.636364
26 ORN 0.428571 0.703704
27 DAL 0.428571 0.636364
28 NLE 0.413793 0.642857
29 ONL 0.413793 0.6
30 MSE 0.4 0.612903
31 MED 0.4 0.633333
32 MET 0.4 0.633333
33 DLY 0.4 0.678571
34 UN1 0.4 0.642857
35 11C 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TZJ; Ligand: A3B; 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: 1tzj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TZJ; Ligand: A3B; 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: 1tzj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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