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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 DG2 0.459459 0.675
6 DEZ 0.459459 0.707317
7 DER 0.459459 0.707317
8 RGP 0.45 0.871795
9 R10 0.425 0.707317
10 PA5 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 with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 1l7p.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1TE2 PGA 1.4218
3 6BR7 BEF 2.25564
4 4D57 ARG AMP 2.36967
5 5V59 8X1 2.8436
6 5JWC FAD 2.8436
7 2YN4 39J 3.31754
8 2PGJ N1C 3.31754
9 4IF4 BEF 3.36538
10 5GVL PLG 3.79147
11 5GVL GI8 3.79147
12 4L6C 0BT 3.9604
13 3LL5 ADP 4.2654
14 3LL5 IPE 4.2654
15 3L8G GMB 4.27807
16 2JAR UMP 4.5
17 3OCZ SRA 4.58015
18 1FDQ HXA 4.58015
19 1Z4O GL1 4.73934
20 2P69 PLP 4.73934
21 2B82 ADN 4.73934
22 5GVH FMN 4.73934
23 2A5F NAD 5.14286
24 5DX9 T6P 5.21327
25 5AHO TLA 5.21327
26 1Z5U CMP 5.21327
27 2CDU ADP 5.6872
28 1R6T TYM 5.6872
29 4QIJ 1HA 5.6872
30 3L9W AMP 5.6872
31 3HXU A5A 5.6872
32 3AR5 TM1 6.16114
33 1UWK URO 6.16114
34 1UWK NAD 6.16114
35 2ZXI FAD 6.63507
36 5WS9 AMP 6.63507
37 3JSX CC2 7.109
38 5BVT PAM 7.46269
39 3EF0 ALF 7.58294
40 4I42 1HA 7.58294
41 5NCB JZ3 7.58294
42 1L5Y BEF 7.74194
43 3SXN COA 8.05687
44 1XCL SAH 8.53081
45 4BVM PLM 9.77444
46 4BVM VCA 9.77444
47 4ZEV M6P 9.95261
48 5KMS FAD 11.3744
49 2FKA BEF 11.6279
50 3FGZ BEF 11.7188
51 4KQP GLN 12.7962
52 2RBK VN4 13.7441
53 1QH9 LAC 13.7441
54 4D7E FAD 15.1659
55 4J75 TYM 16.1137
56 2Z3Y F2N 18.9573
57 1RQL VSO 19.4313
58 3UCL CYH 20.3791
59 3UCL NAP 20.3791
60 3UCL FAD 20.3791
61 4UME KDO 22.2798
62 4HGP KDO 24.4444
63 4FE3 U5P 26.0664
64 3A1C ACP 26.5403
65 3E81 SLB 31.0976
Pocket No.: 2; Query (leader) PDB : 1L7P; Ligand: SEP; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 1l7p.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5W5R PYR 0.947867
2 5OJ7 AR6 1.89573
3 1UKG MMA 2.36967
4 1Q8Q MAN MMA 2.36967
5 1Q8S MAN MMA 2.36967
6 2GND MAN 2.36967
7 2PHU MAN MAN 2.36967
8 4KWI 1TJ 5.6872
9 1JGS SAL 6.52174
10 2Z48 NGA 6.63507
11 1H5T DAU 6.63507
12 1SC3 MLI 6.81818
13 1WRA PC 9.47867
14 3KV8 FAH 10.0719
15 6A0S HSE 15.1659
16 6A0S NDP 15.1659
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