Receptor
PDB id Resolution Class Description Source Keywords
1VFS 1.9 Å EC: 5.1.1.1 CRYSTAL STRUCTURE OF D-CYCLOSERINE-BOUND FORM OF ALANINE RACEMASE FROM D-CYCLOSERINE-PRODUCING STREPTOMYCES L AVENDULAE STREPTOMYCES LAVENDULAE TIM-BARREL GREEK-KEY MOTIEF ISOMERASE
Ref.: STRUCTURAL EVIDENCE THAT ALANINE RACEMASE FROM A D-CYCLOSERINE-PRODUCING MICROORGANISM EXHIBITS RESISTANCE TO ITS OWN PRODUCT. J.BIOL.CHEM. V. 279 46153 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:656;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DCS A:401;
B:1401;
Valid;
Valid;
none;
none;
submit data
333.234 C11 H16 N3 O7 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VFS 1.9 Å EC: 5.1.1.1 CRYSTAL STRUCTURE OF D-CYCLOSERINE-BOUND FORM OF ALANINE RACEMASE FROM D-CYCLOSERINE-PRODUCING STREPTOMYCES L AVENDULAE STREPTOMYCES LAVENDULAE TIM-BARREL GREEK-KEY MOTIEF ISOMERASE
Ref.: STRUCTURAL EVIDENCE THAT ALANINE RACEMASE FROM A D-CYCLOSERINE-PRODUCING MICROORGANISM EXHIBITS RESISTANCE TO ITS OWN PRODUCT. J.BIOL.CHEM. V. 279 46153 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1VFS - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
2 1VFT - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1VFS - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
2 1VFT - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
3 5FAJ - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
4 5FAG - PPI C3 H6 O2 CCC(=O)O
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1VFS - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
2 1VFT - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
3 5FAJ - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
4 5FAG - PPI C3 H6 O2 CCC(=O)O
5 2RJH - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCS; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 DCS 1 1
2 7TS 0.5625 0.933333
3 IN5 0.546667 0.72973
4 9YM 0.535714 0.797297
5 5PA 0.531646 0.763158
6 PMH 0.531646 0.905405
7 PLG 0.526316 0.746667
8 PL8 0.517241 0.797468
9 2BK 0.5125 0.756757
10 TLP 0.5125 0.756757
11 2BO 0.5125 0.756757
12 PLS 0.5125 0.794521
13 PDA 0.506329 0.733333
14 P1T 0.506329 0.74026
15 PP3 0.506329 0.733333
16 PDD 0.506329 0.733333
17 PPD 0.506173 0.77027
18 C6P 0.506173 0.77027
19 PY5 0.5 0.730769
20 PXP 0.5 0.680556
21 33P 0.5 0.697368
22 PLA 0.5 0.730769
23 IK2 0.5 0.810811
24 LCS 0.5 0.932432
25 PY6 0.494118 0.7125
26 PMP 0.492958 0.712329
27 7B9 0.488889 0.759494
28 RW2 0.488636 0.74359
29 N5F 0.488372 0.74026
30 PSZ 0.488372 0.74359
31 7XF 0.488095 0.75
32 ILP 0.488095 0.714286
33 PGU 0.488095 0.75
34 PDG 0.488095 0.75
35 GT1 0.486111 0.618421
36 QLP 0.482353 0.779221
37 PMG 0.482353 0.7125
38 ORX 0.471264 0.74026
39 CBA 0.470588 0.821918
40 PE1 0.465909 0.74026
41 PL2 0.465116 0.666667
42 76U 0.45977 0.717949
43 HEY 0.45977 0.708861
44 PL4 0.455556 0.74026
45 PXG 0.455556 0.723684
46 EA5 0.454545 0.74359
47 3LM 0.454545 0.670732
48 KAM 0.430108 0.696203
49 AQ3 0.427083 0.776316
50 0LD 0.4 0.77907
51 PZP 0.4 0.621622
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VFS; Ligand: DCS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1vfs.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1VFS; Ligand: DCS; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 1vfs.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ME8 RVP 0.01736 0.40454 1.29534
2 1PVN MZP 0.02469 0.40028 1.32979
3 1UR4 B2G 0.007657 0.4038 1.50376
4 1KEW NAD 0.02468 0.40926 3.04709
5 1KEW TYD 0.02619 0.40728 3.04709
6 1ERB ETR 0.005833 0.41523 3.82514
7 2GN3 MAN 0.01276 0.41825 4.7619
8 2GN3 MMA 0.01353 0.41594 4.7619
9 2GMM MAN MAN 0.0262 0.40596 4.7619
10 1TUF AZ1 0.009503 0.40283 4.92228
11 4O12 2QG 0.02801 0.43232 5.18135
12 3WQD PLP 999 0.00001615 0.51931 10.1036
13 4V15 PLP 0.0005919 0.42739 19.5251
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