Receptor
PDB id Resolution Class Description Source Keywords
1L7N 1.8 Å EC: 3.1.3.3 TRANSITION STATE ANALOGUE OF PHOSPHOSERINE PHOSPHATASE (ALUMINUM FLUORIDE COMPLEX) METHANOCALDOCOCCUS JANNASCHII ROSSMANN FOLD B-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
AF3 A:219;
B:719;
Valid;
Valid;
none;
none;
submit data
83.977 Al F3 F[Al]...
ALF A:220;
B:720;
Valid;
Valid;
none;
none;
submit data
102.975 Al F4 F[Al-...
MG A:221;
B:721;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:300;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L7N 1.8 Å EC: 3.1.3.3 TRANSITION STATE ANALOGUE OF PHOSPHOSERINE PHOSPHATASE (ALUMINUM FLUORIDE COMPLEX) METHANOCALDOCOCCUS JANNASCHII ROSSMANN FOLD B-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 1L7N - ALF Al F4 F[Al-](F)(....
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 1L7N - ALF Al F4 F[Al-](F)(....
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 1L7N - ALF Al F4 F[Al-](F)(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AF3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AF3 1 1
Ligand no: 2; Ligand: ALF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ALF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L7N; Ligand: AF3; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1l7n.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TE2 PGA 0.0002381 0.43571 1.4218
2 5BW4 SAM 0.01997 0.40621 1.4218
3 5X40 ACP 0.02153 0.40467 1.89573
4 5IDM ANP 0.008843 0.42947 2.23464
5 3WV8 ATP 0.009178 0.40966 2.36967
6 2YN4 39J 0.0003222 0.43442 3.31754
7 4XFM THE 0.009723 0.40392 4.2654
8 3L8G GMB 0.0002676 0.41204 4.27807
9 3OCZ SRA 0.00001327 0.40104 4.58015
10 2P69 PLP 0.0007368 0.40772 4.73934
11 1Z5U CMP 0.0001611 0.41984 5.21327
12 4IF4 BEF 0.00003631 0.49405 6.25
13 1I9G SAM 0.04457 0.41633 6.63507
14 3JSX CC2 0.04146 0.41597 7.109
15 5WYF ILP 0.02064 0.4008 7.109
16 3EF0 ALF 0.00001771 0.49773 7.58294
17 1L5Y BEF 0.0000001703 0.65968 7.74194
18 5EOU ATP 0.00911 0.42465 8.05687
19 4ZEV M6P 0.00000003992 0.47966 9.95261
20 2FKA BEF 0.000005548 0.55797 11.6279
21 3FGZ BEF 0.00001692 0.52437 11.7188
22 2RBK VN4 0.0000000008002 0.6821 11.8483
23 4XYM COA 0.03403 0.4054 12.7155
24 1QH9 LAC 0.000148 0.44348 13.7441
25 1RQL VSO 0.000006622 0.44134 19.4313
26 3UCL FAD 0.007771 0.44888 20.3791
27 4HGP KDO 0.0000467 0.40088 24.4444
28 4FE3 U5P 0.00000009306 0.46585 26.0664
29 3E81 SLB 0.00005946 0.44672 31.0976
Pocket No.: 2; Query (leader) PDB : 1L7N; Ligand: ALF; Similar sites found: 70
This union binding pocket(no: 2) in the query (biounit: 1l7n.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D3F NAP 0.01477 0.41505 None
2 1TE2 PGA 0.00002105 0.49726 1.4218
3 5BW4 SAM 0.01478 0.41114 1.4218
4 4MO2 FDA 0.03436 0.41209 1.89573
5 3WV8 ATP 0.005782 0.42806 2.36967
6 5I7A 68Q 0.02696 0.40019 2.36967
7 5MW4 5JU 0.01575 0.42854 2.8436
8 5VAC SAH 0.01529 0.41163 2.8436
9 5VBC SAH 0.01373 0.41136 2.8436
10 4ZH7 FUC GAL NAG GAL FUC 0.008318 0.41 2.8436
11 5VA6 SAH 0.01499 0.40887 2.8436
12 4XUC SAM 0.04152 0.40307 2.8436
13 4XUC 43G 0.04152 0.40307 2.8436
14 5VAH SAH 0.0181 0.40185 2.8436
15 2YN4 39J 0.00001463 0.5085 3.31754
16 3VC1 SAH 0.01863 0.42875 3.31754
17 4RPL 3UC 0.04656 0.4249 3.31754
18 4RPL FAD 0.04605 0.42389 3.31754
19 5KVA SAM 0.01011 0.42354 3.31754
20 5D4V SAH 0.02988 0.40326 3.79147
21 4YSX FAD 0.01057 0.44185 3.84615
22 4L6C 0BT 0.000001607 0.4011 3.9604
23 3G5D 1N1 0.03694 0.41249 4.2654
24 3L8G GMB 0.00001463 0.47284 4.27807
25 2JAR UMP 0.0000009173 0.43254 4.5
26 3OCZ SRA 0.000001271 0.44247 4.58015
27 2P69 PLP 0.00004647 0.46869 4.73934
28 3ZEU ADP 0.008788 0.4347 4.73934
29 3ZEU AGS 0.01014 0.4347 4.73934
30 2R4J 13P 0.02306 0.42591 4.73934
31 4X9M FAD 0.02561 0.41965 4.73934
32 5EB4 FAD 0.04347 0.40402 4.73934
33 5AHO TLA 0.002069 0.42937 5.21327
34 1Z5U CMP 0.0004183 0.41984 5.21327
35 3RIY NAD 0.02274 0.41525 5.21327
36 5JCM ISD 0.0403 0.42806 6.16114
37 5JCM FAD 0.03949 0.42806 6.16114
38 5JCM NAD 0.0403 0.42806 6.16114
39 4YNU LGC 0.02313 0.41812 6.16114
40 4YNU FAD 0.02059 0.41812 6.16114
41 4IF4 BEF 0.000006025 0.54964 6.25
42 2QQF A1R 0.004849 0.44943 6.63507
43 3JSX CC2 0.03058 0.43876 7.109
44 3JSX FAD 0.03058 0.43876 7.109
45 3EF0 ALF 0.000004488 0.54569 7.58294
46 1O94 AMP 0.005323 0.43456 7.58294
47 1L5Y BEF 0.000000004224 0.74951 7.74194
48 5EOU ATP 0.01451 0.41739 8.05687
49 4M26 SIN 0.02645 0.40249 8.05687
50 4KP7 NAP 0.04296 0.4215 8.53081
51 3WQQ IB3 0.04303 0.41958 8.53081
52 4KP7 1UQ 0.04199 0.41852 8.53081
53 4PNE SAH 0.01401 0.40312 9.00474
54 4MCC 21X 0.02288 0.40987 9.47867
55 2YX1 SFG 0.02152 0.4039 9.47867
56 4ZEV M6P 0.00000003052 0.50753 9.95261
57 5FJN BE2 0.01368 0.44142 11.3744
58 5FJN FAD 0.01242 0.44142 11.3744
59 2FKA BEF 0.0000002184 0.6308 11.6279
60 3FGZ BEF 0.000002136 0.56376 11.7188
61 2RBK VN4 0.0000000005782 0.72874 11.8483
62 3CGD COA 0.04934 0.41119 11.8483
63 3CGD FAD 0.04934 0.41119 11.8483
64 1QH9 LAC 0.00002252 0.49381 13.7441
65 4D7E FAD 0.003671 0.46819 14.6919
66 1RQL VSO 0.000001127 0.48396 19.4313
67 3UCL FAD 0.002283 0.49436 20.3791
68 4HGP KDO 0.0001426 0.40088 24.4444
69 4FE3 U5P 0.0000005214 0.46585 26.0664
70 3E81 SLB 0.0001678 0.44672 31.0976
Pocket No.: 3; Query (leader) PDB : 1L7N; Ligand: AF3; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 1l7n.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JCA NDP 0.03861 0.4176 5.21327
2 5JDI NAP 0.04782 0.40889 6.63507
Pocket No.: 4; Query (leader) PDB : 1L7N; Ligand: ALF; Similar sites found: 13
This union binding pocket(no: 4) in the query (biounit: 1l7n.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP3 FAD 0.0467 0.40072 0.947867
2 5LOG SAH 0.02498 0.40087 1.4218
3 4R98 GNH 0.01104 0.40656 1.89573
4 5IDM ANP 0.01086 0.42831 2.23464
5 4ZGS NAD 0.02691 0.40349 3.31754
6 2UUU PL3 0.02999 0.42808 4.73934
7 3W6C NAG NAG 0.03879 0.40256 4.91803
8 5JCA FAD 0.0402 0.41635 5.21327
9 2R00 OEG 0.02213 0.40158 6.63507
10 1SC3 MLI 0.001686 0.44018 6.81818
11 1PL6 NAD 0.02436 0.40704 8.53081
12 5U8U FAD 0.03956 0.42569 9.00474
13 5G5G FAD 0.04826 0.40639 18.0095
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