Receptor
PDB id Resolution Class Description Source Keywords
5T9C 1.48 Å EC: 3.1.4.46 CRYSTAL STRUCTURE OF B. SUBTILIS 168 GLPQ IN COMPLEX WITH GL PHOSPHATE (1 HOUR SOAK) BACILLUS SUBTILIS HYDROLASE METAL BINDING PROTEIN
Ref.: IDENTIFICATION OF TWO PHOSPHATE STARVATION-INDUCED TEICHOIC ACID HYDROLASES PROVIDES FIRST INSIGHTS IN DEGRADATIVE PATHWAY OF A KEY BACTERIAL CELL WALL CO J. BIOL. CHEM. V. 291 26066 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G3P E:302;
Valid;
none;
submit data
172.074 C3 H9 O6 P C([C@...
CA E:301;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
NA E:304;
Part of Protein;
none;
submit data
22.99 Na [Na+]
PO4 E:303;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T9C 1.48 Å EC: 3.1.4.46 CRYSTAL STRUCTURE OF B. SUBTILIS 168 GLPQ IN COMPLEX WITH GL PHOSPHATE (1 HOUR SOAK) BACILLUS SUBTILIS HYDROLASE METAL BINDING PROTEIN
Ref.: IDENTIFICATION OF TWO PHOSPHATE STARVATION-INDUCED TEICHOIC ACID HYDROLASES PROVIDES FIRST INSIGHTS IN DEGRADATIVE PATHWAY OF A KEY BACTERIAL CELL WALL CO J. BIOL. CHEM. V. 291 26066 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5T9B - G3P C3 H9 O6 P C([C@H](CO....
2 5T9C - G3P C3 H9 O6 P C([C@H](CO....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5T9B - G3P C3 H9 O6 P C([C@H](CO....
2 5T9C - G3P C3 H9 O6 P C([C@H](CO....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5T9B - G3P C3 H9 O6 P C([C@H](CO....
2 5T9C - G3P C3 H9 O6 P C([C@H](CO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G3P; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 1GP 1 1
2 G3P 1 1
3 GP9 0.551724 0.90625
4 GPE 0.514286 0.731707
5 M2P 0.5 0.882353
6 LX1 0.484848 0.828571
7 A5P 0.484848 0.911765
8 DX5 0.484848 0.911765
9 LXP 0.484848 0.911765
10 HG3 0.482759 0.90625
11 S6P 0.470588 0.939394
12 DXP 0.457143 0.828571
13 G3H 0.4375 0.848485
14 3PG 0.4375 0.852941
15 D5X 0.432432 0.805556
16 CH5 0.425 0.6
17 EFS 0.423077 0.69697
18 M6R 0.421053 0.756098
19 AGP 0.421053 0.756098
20 GSE 0.414634 0.714286
21 E4P 0.411765 0.878788
22 R5P 0.405405 0.828571
23 DG6 0.405405 0.885714
24 TX4 0.405405 0.630435
25 R52 0.405405 0.828571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T9C; Ligand: G3P; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 5t9c.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KJ1 MAN 0.002509 0.42692 None
2 3MJY IJZ 0.03938 0.40768 0.746269
3 3MJY FMN 0.03938 0.40768 0.746269
4 3G6M CFF 0.00587 0.40797 1.86567
5 2FB3 GTP 0.02422 0.41371 2.23881
6 5K2M ADP 0.03535 0.40145 2.23881
7 3C8F MT2 0.001733 0.44002 2.44898
8 2GQR ADP 0.00934 0.42068 2.53165
9 3VPD ANP 0.01591 0.439 2.61194
10 3U6W KIV 0.003342 0.41723 2.61194
11 1SR9 KIV 0.004164 0.41173 2.61194
12 1I82 BGC BGC 0.0009181 0.4428 2.6455
13 1KKR 2AS 0.001278 0.43436 3.35821
14 1XG4 ICT 0.009897 0.4218 3.35821
15 1IGW PYR 0.006293 0.41111 3.35821
16 1US2 XYP XYP XYP XYP 0.002723 0.40473 3.35821
17 5H2D ERG 0.03097 0.40197 3.35821
18 4KYS VIB 0.01221 0.4007 3.35821
19 1MEX RAC 0.002905 0.43749 3.72093
20 1R87 XYP XYP XYP 0.0009724 0.47579 3.73134
21 5D6T NGA 0.001014 0.45955 4.04412
22 2WZE XYP XYP XYP 0.0008109 0.43486 4.10448
23 2W5F XYP XYP XYP 0.0008968 0.43302 4.10448
24 4XH0 ADP 0.005969 0.40513 4.10448
25 4Z1D PEP 0.007363 0.40383 4.10448
26 5UIU 8CG 0.04418 0.40185 4.10448
27 1B57 PGH 0.01202 0.40467 4.85075
28 3WUG XYP 0.0003362 0.40044 4.85075
29 5JO1 6LM 0.02178 0.40663 4.86486
30 3BXO UPP 0.01594 0.40619 5.02092
31 3WUC GLC GAL 0.02201 0.40481 5.10949
32 3A4X NAG NAG NAG NDG 0.002586 0.46239 5.22388
33 3FYP PEP 0.001033 0.45095 5.22388
34 3MI2 PFU 0.04103 0.41667 5.22388
35 4MJ0 SIA SIA GAL 0.009507 0.40156 5.22388
36 3DLS ADP 0.0195 0.40118 5.59701
37 5H9Q TD2 0.002055 0.42703 5.80645
38 4QWT ACD 0.03664 0.40262 6.71642
39 4RW3 IPD 0.000007442 0.51115 7.46269
40 1VBR XYS XYP 0.003761 0.4003 7.83582
41 1FH8 XYP XIF 0.001202 0.45599 8.20895
42 5FYR INS 0.001525 0.43614 8.95522
43 5A67 3PO 0.01146 0.40529 8.96226
44 4IJP 1EH 0.01847 0.41007 9.32836
45 2YAJ 4HP 0.0135 0.40643 9.70149
46 5F7V GLC GLC GLC GLC 0.02429 0.40199 10.0746
47 3UDZ ADP 0.01046 0.41986 10.3448
48 5JNN 6LM 0.02511 0.40372 11.0526
49 3W25 XYP XYP 0.0007828 0.41678 14.5522
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