Receptor
PDB id Resolution Class Description Source Keywords
1L7P 1.9 Å EC: 3.1.3.3 SUBSTRATE BOUND PHOSPHOSERINE PHOSPHATASE COMPLEX STRUCTURE METHANOCALDOCOCCUS JANNASCHII ROSSMANN FOLD BETA-HAIRPIN FOUR-HELIX BUNDLE STRUCTURAL GENOMICS BSGC STRUCTURE FUNDED BY NIH PROTEIN STRUCTURE INITIATIVE PSI BERKELEY STRUCTURAL GENOMICS CENTER HYDROLASE
Ref.: STRUCTURAL CHARACTERIZATION OF THE REACTION PATHWAY IN PHOSPHOSERINE PHOSPHATASE: CRYSTALLOGRAPHIC "SNAPSHOTS" OF INTERMEDIATE STATES. J.MOL.BIOL. V. 319 421 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 B:230;
B:240;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
SEP A:770;
B:270;
Valid;
Valid;
none;
none;
submit data
185.072 C3 H8 N O6 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L7P 1.9 Å EC: 3.1.3.3 SUBSTRATE BOUND PHOSPHOSERINE PHOSPHATASE COMPLEX STRUCTURE METHANOCALDOCOCCUS JANNASCHII ROSSMANN FOLD BETA-HAIRPIN FOUR-HELIX BUNDLE STRUCTURAL GENOMICS BSGC STRUCTURE FUNDED BY NIH PROTEIN STRUCTURE INITIATIVE PSI BERKELEY STRUCTURAL GENOMICS CENTER HYDROLASE
Ref.: STRUCTURAL CHARACTERIZATION OF THE REACTION PATHWAY IN PHOSPHOSERINE PHOSPHATASE: CRYSTALLOGRAPHIC "SNAPSHOTS" OF INTERMEDIATE STATES. J.MOL.BIOL. V. 319 421 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1L7P - SEP C3 H8 N O6 P C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1L7P - SEP C3 H8 N O6 P C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1L7P - SEP C3 H8 N O6 P C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SEP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 SEP 1 1
2 3PG 0.515152 0.74359
3 4TP 0.513514 0.833333
4 GSE 0.512195 0.833333
5 DEZ 0.459459 0.707317
6 DG2 0.459459 0.675
7 DER 0.459459 0.707317
8 RGP 0.45 0.871795
9 PA5 0.425 0.707317
10 R10 0.425 0.707317
11 PGA 0.40625 0.710526
12 OSE 0.405405 0.733333
13 LG6 0.404762 0.707317
14 6PG 0.404762 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L7P; Ligand: SEP; Similar sites found: 48
This union binding pocket(no: 1) in the query (biounit: 1l7p.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TE2 PGA 0.001046 0.42114 1.4218
2 2YN4 39J 0.0001435 0.45375 3.31754
3 4JNA FAD 0.0437 0.40963 3.31754
4 4IF4 BEF 0.00001327 0.4631 3.36538
5 5GVL GI8 0.04535 0.40619 3.79147
6 5GVL PLG 0.04535 0.40619 3.79147
7 4L6C 0BT 0.0002721 0.50014 3.9604
8 3LL5 ADP 0.01921 0.42131 4.2654
9 3LL5 IPE 0.02196 0.41604 4.2654
10 3L8G GMB 0.0003464 0.46191 4.27807
11 2JAR UMP 0.0001271 0.51005 4.5
12 3OCZ SRA 0.0002089 0.49699 4.58015
13 1FDQ HXA 0.01888 0.41463 4.58015
14 2P69 PLP 0.0004724 0.4769 4.73934
15 2B82 ADN 0.01501 0.41094 4.73934
16 3OOI SAM 0.02048 0.40248 4.73934
17 2A5F NAD 0.01051 0.40914 5.14286
18 1Z5U CMP 0.005288 0.40975 5.21327
19 5DX9 T6P 0.00009879 0.40959 5.21327
20 2CDU ADP 0.01019 0.41391 5.6872
21 1R6T TYM 0.03059 0.41262 5.6872
22 3HXU A5A 0.02546 0.40093 5.6872
23 3AR5 TM1 0.0182 0.42145 6.16114
24 2ZXI FAD 0.03039 0.41374 6.63507
25 3JSX CC2 0.04107 0.40274 7.109
26 3EF0 ALF 0.00007877 0.45173 7.58294
27 4I42 1HA 0.03345 0.40296 7.58294
28 1L5Y BEF 0.00000004484 0.51947 7.74194
29 1XCL SAH 0.03516 0.40526 8.53081
30 3HDY FDA 0.04518 0.42063 9.47867
31 3HDY GDU 0.04627 0.42063 9.47867
32 4BVM VCA 0.01063 0.42014 9.77444
33 4BVM PLM 0.009846 0.42014 9.77444
34 4ZEV M6P 0.0000008165 0.54855 9.95261
35 2FKA BEF 0.000001871 0.47144 11.6279
36 3FGZ BEF 0.000007584 0.45363 11.7188
37 2RBK VN4 0.0000000123 0.59318 13.7441
38 1QH9 LAC 0.0002927 0.44372 13.7441
39 4J75 TYM 0.007333 0.43583 16.1137
40 2Z3Y F2N 0.04178 0.41152 18.9573
41 1RQL VSO 0.0001124 0.48274 19.4313
42 3UCL FAD 0.04493 0.4225 20.3791
43 3UCL NAP 0.04799 0.4225 20.3791
44 3UCL CYH 0.04493 0.4225 20.3791
45 4HGP KDO 0.004934 0.42514 24.4444
46 4FE3 U5P 0.00004921 0.52232 26.0664
47 3A1C ACP 0.002954 0.44633 26.5403
48 3E81 SLB 0.0009284 0.43521 31.0976
Pocket No.: 2; Query (leader) PDB : 1L7P; Ligand: SEP; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 1l7p.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z4O GL1 0.0005579 0.40328 4.73934
2 4KWI 1TJ 0.04264 0.40245 5.6872
3 1JGS SAL 0.0155 0.40972 6.52174
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