Receptor
PDB id Resolution Class Description Source Keywords
1NT4 2.4 Å EC: 3.1.3.10 CRYSTAL STRUCTURE OF ESCHERICHIA COLI PERIPLASMIC GLUCOSE-1- PHOSPHATASE H18A MUTANT COMPLEXED WITH GLUCOSE-1-PHOSPHATE ESCHERICHIA COLI ALPHA DOMAIN ALPHA-BETA DOMAIN OCCLUDED ACTIVE SITE ENZYME-SUBSTRATE COMPLEX MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI STRUCTURAL GENOMICS HYDROLASE
Ref.: FUNCTIONAL INSIGHTS REVEALED BY THE CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLUCOSE-1-PHOSPHATASE. J.BIOL.CHEM. V. 278 31412 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G1P A:2000;
B:2001;
Valid;
Valid;
none;
none;
submit data
260.136 C6 H13 O9 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NT4 2.4 Å EC: 3.1.3.10 CRYSTAL STRUCTURE OF ESCHERICHIA COLI PERIPLASMIC GLUCOSE-1- PHOSPHATASE H18A MUTANT COMPLEXED WITH GLUCOSE-1-PHOSPHATE ESCHERICHIA COLI ALPHA DOMAIN ALPHA-BETA DOMAIN OCCLUDED ACTIVE SITE ENZYME-SUBSTRATE COMPLEX MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI STRUCTURAL GENOMICS HYDROLASE
Ref.: FUNCTIONAL INSIGHTS REVEALED BY THE CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLUCOSE-1-PHOSPHATASE. J.BIOL.CHEM. V. 278 31412 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NT4 - G1P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NT4 - G1P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARO - IHS C6 H12 O24 S6 C1(C(C(C(C....
2 4ARU - TLA C4 H6 O6 [C@@H]([C@....
3 1DKQ - IHP C6 H18 O24 P6 C1(C(C(C(C....
4 1DKP - IHP C6 H18 O24 P6 C1(C(C(C(C....
5 1NT4 - G1P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G1P; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 XGP 1 1
2 M1P 1 1
3 G1P 1 1
4 GL1 1 1
5 R1P 0.852941 0.904762
6 GP1 0.533333 0.833333
7 GFP 0.533333 0.909091
8 TRE 0.525 0.697674
9 MBG 0.512195 0.674419
10 GYP 0.512195 0.674419
11 MMA 0.512195 0.674419
12 AMG 0.512195 0.674419
13 T6P 0.5 0.930233
14 G16 0.5 0.928571
15 GN1 0.480769 0.754717
16 NG1 0.480769 0.754717
17 MVP 0.472727 0.888889
18 YO5 0.454545 0.883721
19 GPM 0.454545 0.883721
20 2M8 0.44 0.714286
21 ALX 0.434783 1
22 BNX 0.434783 1
23 GMB 0.433962 0.928571
24 56N 0.431373 0.697674
25 RGG 0.428571 0.690476
26 GAT 0.423077 0.6
27 MAN BMA 0.423077 0.697674
28 GLA BGC 0.423077 0.697674
29 MLB 0.423077 0.697674
30 GLA BMA 0.423077 0.697674
31 GLA GLC 0.423077 0.697674
32 BGC GLA 0.423077 0.697674
33 GAL GAL 0.423077 0.697674
34 LAK 0.423077 0.697674
35 BMA GLA 0.423077 0.697674
36 MK0 0.42029 0.75
37 DEG 0.42 0.617021
38 GAL PHB 0.418182 0.681818
39 MAN MMA 0.415094 0.666667
40 BGC BGC 0.411765 0.697674
41 GLA MBG 0.411765 0.666667
42 MAN MAN 0.411765 0.697674
43 2M4 0.411765 0.697674
44 LAT GLA 0.411765 0.697674
45 SER MAN 0.407407 0.625
46 MAN MAN MAN 0.407407 0.697674
47 GLC GLC GLC GLC BGC 0.407407 0.697674
48 GLC GLC GLC GLC GLC BGC 0.407407 0.697674
49 GLC GLC GLC 0.407407 0.697674
50 EBG 0.403846 0.630435
51 N9S 0.403846 0.697674
52 LB2 0.403846 0.697674
53 M3M 0.403846 0.697674
54 LAT 0.403846 0.697674
55 LBT 0.403846 0.697674
56 BGC GLC 0.403846 0.697674
57 BGC GAL 0.403846 0.697674
58 BMA GAL 0.403846 0.697674
59 GAL BGC 0.403846 0.697674
60 CBK 0.403846 0.697674
61 EBQ 0.403846 0.630435
62 GAL GLC 0.403846 0.697674
63 MAB 0.403846 0.697674
64 GLA GAL 0.403846 0.697674
65 BMA BMA 0.403846 0.697674
66 GLC GAL 0.403846 0.697674
67 B2G 0.403846 0.697674
68 CBI 0.403846 0.697674
69 MAL MAL 0.403846 0.681818
70 MAN GLC 0.403846 0.697674
71 BGC BMA 0.403846 0.697674
72 MAL 0.403846 0.697674
73 GLA GLA 0.403846 0.697674
74 GLC BGC 0.403846 0.697674
75 SUP 0.403226 0.888889
76 GAL FUC 0.4 0.697674
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NT4; Ligand: G1P; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 1nt4.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N7G GDR 0.03248 0.43116 1.31234
2 2HHJ 3PG 0.01361 0.41122 1.87266
3 2HHJ DG2 0.0142 0.41041 1.87266
4 1BXK NAD 0.01144 0.43433 1.97183
5 1OC2 NAD 0.01408 0.45225 2.29885
6 4JOB TLA 0.0000005475 0.60236 2.55754
7 2ZCQ B65 0.03911 0.41721 2.73038
8 3LL5 ATP 0.01211 0.42449 2.81124
9 3LL5 ADP 0.02616 0.41988 2.81124
10 3LL5 IPE 0.02715 0.41693 2.81124
11 1VI2 NAD 0.01268 0.42412 3
12 4N8I COA 0.03051 0.40838 3.83632
13 1R6D NAD 0.03345 0.42836 3.85757
14 1VG8 GNP 0.02726 0.40862 3.86473
15 2J0W ADP 0.01061 0.41986 5.11509
16 3C1M ANP 0.02723 0.40353 5.11509
17 1TIP F6P 0.01755 0.41296 5.2356
18 1GS5 NLG 0.03468 0.4121 5.42636
19 4FDU IHS 0.00000705 0.56786 5.88235
20 4G87 UD1 0.03901 0.40578 5.88235
21 3LL9 ADP 0.005229 0.43378 5.94796
22 3OI7 OI7 0.0001099 0.51809 7.19178
23 3LL4 2FP 0.002304 0.44603 7.19178
24 3OCZ SRA 0.01177 0.41715 7.63359
25 1GTE FAD 0.04956 0.42268 7.92839
26 4HDQ GNP 0.03812 0.40043 8.98204
27 1M2K APR 0.02416 0.41479 9.63855
28 3BC1 GNP 0.02843 0.40598 10.1695
29 3K4Q IHS 0.00002692 0.535 10.2302
30 5CDH TLA 0.00000000231 0.77594 10.4167
31 1ZC3 GNP 0.02144 0.41326 12.3894
32 3TNF GNP 0.01896 0.4176 12.6437
33 3FDZ DG2 0.0008086 0.47304 15.5642
34 3IT1 TLA 0.000001664 0.56935 18.1287
Pocket No.: 2; Query (leader) PDB : 1NT4; Ligand: G1P; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 1nt4.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IJ6 SEP 0.00854 0.40663 2.8436
2 5MEX SZZ 0.0468 0.40306 3.41615
3 4BKJ STI 0.01868 0.41996 3.49206
4 2E3N 6CM 0.03703 0.40281 3.92157
5 4Q0L V14 0.03518 0.40434 4.94297
6 1M2X MCO 0.01062 0.40025 7.17489
7 2IBZ SMA 0.02973 0.40032 18.9189
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