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Receptor
PDB id Resolution Class Description Source Keywords
3K5X 1.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF DIPEPTIDASE FROM STREPTOMICS COELICOLOR COMPLEXED WITH PHOSPHINATE PSEUDODIPEPTIDE L-ALA-D-ASP AT 1 .4A RESOLUTION. STREPTOMYCES COELICOLOR DIPEPTIDASE FROM STREPTOMICS COELICOLOR THE CLOSEST BACTERIAL HOMOLOG TO HUMAN RENAL DIPEPTIDASE PHOSPHINATE PSEUDODIPEPTIDE L-ALA-D-ASP
Ref.: STRUCTURE, MECHANISM, AND SUBSTRATE PROFILE FOR SCO3058: THE CLOSEST BACTERIAL HOMOLOGUE TO HUMAN RENAL DIPEPTIDASE . BIOCHEMISTRY V. 49 611 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P8D A:401;
Valid;
none;
Ki = 390 nM
239.163 C7 H14 N O6 P C[C@H...
ZN A:402;
A:403;
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
3K5X 1.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF DIPEPTIDASE FROM STREPTOMICS COELICOLOR COMPLEXED WITH PHOSPHINATE PSEUDODIPEPTIDE L-ALA-D-ASP AT 1 .4A RESOLUTION. STREPTOMYCES COELICOLOR DIPEPTIDASE FROM STREPTOMICS COELICOLOR THE CLOSEST BACTERIAL HOMOLOG TO HUMAN RENAL DIPEPTIDASE PHOSPHINATE PSEUDODIPEPTIDE L-ALA-D-ASP
Ref.: STRUCTURE, MECHANISM, AND SUBSTRATE PROFILE FOR SCO3058: THE CLOSEST BACTERIAL HOMOLOGUE TO HUMAN RENAL DIPEPTIDASE . BIOCHEMISTRY V. 49 611 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 3ITC Ki = 25 mM CIT C6 H8 O7 C(C(=O)O)C....
2 3K5X Ki = 390 nM P8D C7 H14 N O6 P C[C@H](N)[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3ITC Ki = 25 mM CIT C6 H8 O7 C(C(=O)O)C....
2 3K5X Ki = 390 nM P8D C7 H14 N O6 P C[C@H](N)[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3ITC Ki = 25 mM CIT C6 H8 O7 C(C(=O)O)C....
2 3K5X Ki = 390 nM P8D C7 H14 N O6 P C[C@H](N)[....
3 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P8D; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 P8D 1 1
2 2D8 0.552632 0.914286
3 LY0 0.552632 0.914286
4 AEP 0.488372 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K5X; Ligand: P8D; Similar sites found with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 3k5x.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZAP A70 1.75439
2 4QYS PLP SEP 2
3 4KJG 4NP 2
4 2QZX IVA VAL VAL STA ALA STA 2.04678
5 4GID 0GH 2.06186
6 3ZGJ RMN 2.42588
7 4J7H TLO 2.5
8 4KWD JF2 2.54777
9 5GUE GGS 2.71903
10 1OLT SAM 2.75
11 3T03 3T0 2.8169
12 3IGZ 3PG 3
13 3IGZ 2PG 3
14 1QRP HH0 3.06748
15 1T27 PCW 3.32103
16 2GQR ADP 3.37553
17 1GEE NAD 3.44828
18 1QPR PPC 3.52113
19 3FV3 IVA VAL VAL STA ALA STA 3.53982
20 2H6T IVA VAL VAL STA ALA STA 3.82353
21 3FSM 2NC 3.94089
22 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 4.1791
23 4I4B NAD 4.75
24 3G6M CFF 4.75
25 1QFT HSM 5.14286
26 4NS0 PIO 5.26316
27 3ZKN WZV 5.42986
28 2P53 NNG 5.49738
29 1OYF MHN 5.78512
30 5OCM 9RH 5.84192
31 5YJS SAL 6.41026
32 3WG6 NDP 7.81759
33 5N17 8FK 20.2899
34 1FWE HAE 27
Pocket No.: 2; Query (leader) PDB : 3K5X; Ligand: P8D; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 3k5x.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3OO6 GAL 2.25
2 2GQS ADP 3.37553
3 5O5Y GLC 3.75
4 3KA2 2NC 3.94089
5 5G5G MCN 8.5
Pocket No.: 3; Query (leader) PDB : 3K5X; Ligand: P8D; 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: 3k5x.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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