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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: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 XGP 1 1
2 GL1 1 1
3 M1P 1 1
4 G1P 1 1
5 R1P 0.852941 0.904762
6 RI2 0.533333 0.837209
7 GFP 0.533333 0.909091
8 GP1 0.533333 0.833333
9 TRE 0.525 0.697674
10 MMA 0.512195 0.674419
11 MBG 0.512195 0.674419
12 GYP 0.512195 0.674419
13 AMG 0.512195 0.674419
14 T6P 0.5 0.930233
15 G16 0.5 0.928571
16 GN1 0.480769 0.754717
17 NG1 0.480769 0.754717
18 MVP 0.472727 0.888889
19 BQZ 0.456522 0.707317
20 YO5 0.454545 0.883721
21 GPM 0.454545 0.883721
22 2M8 0.44 0.714286
23 BNX 0.434783 1
24 ALX 0.434783 1
25 GMB 0.433962 0.928571
26 56N 0.431373 0.697674
27 RGG 0.428571 0.690476
28 BGC GLC 0.423077 0.697674
29 BGC GLA 0.423077 0.697674
30 MLB 0.423077 0.697674
31 GLC BGC 0.423077 0.697674
32 GAL GAL 0.423077 0.697674
33 GLA GLC 0.423077 0.697674
34 GLC GLC 0.423077 0.697674
35 MAN BMA 0.423077 0.697674
36 GAL GLC 0.423077 0.697674
37 LAK 0.423077 0.697674
38 BMA GLA 0.423077 0.697674
39 GLA BGC 0.423077 0.697674
40 MAN MAN 0.423077 0.697674
41 GLA BMA 0.423077 0.697674
42 GAT 0.423077 0.6
43 BMA MAN 0.423077 0.697674
44 MK0 0.42029 0.75
45 DEG 0.42 0.617021
46 GAL PHB 0.418182 0.681818
47 MAN MMA 0.415094 0.666667
48 GLA MBG 0.411765 0.666667
49 LAT GLA 0.411765 0.697674
50 2M4 0.411765 0.697674
51 GLC GLC GLC GLC BGC 0.407407 0.697674
52 GLC GLC GLC 0.407407 0.697674
53 GLC GLC GLC GLC GLC BGC 0.407407 0.697674
54 MAN MAN MAN 0.407407 0.697674
55 BMA MAN MAN 0.407407 0.697674
56 LAT 0.403846 0.697674
57 BGC BMA 0.403846 0.697674
58 GLC GAL 0.403846 0.697674
59 MAN GLC 0.403846 0.697674
60 NGR 0.403846 0.697674
61 MAB 0.403846 0.697674
62 N9S 0.403846 0.697674
63 MAL 0.403846 0.697674
64 GLA GAL 0.403846 0.697674
65 GAL BGC 0.403846 0.697674
66 BGC GAL 0.403846 0.697674
67 EBG 0.403846 0.630435
68 M3M 0.403846 0.697674
69 BMA GAL 0.403846 0.697674
70 LBT 0.403846 0.697674
71 CBK 0.403846 0.697674
72 LB2 0.403846 0.697674
73 B2G 0.403846 0.697674
74 GLA GLA 0.403846 0.697674
75 EBQ 0.403846 0.630435
76 CBI 0.403846 0.697674
77 SUP 0.403226 0.888889
78 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 with APoc: 56
This union binding pocket(no: 1) in the query (biounit: 1nt4.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1N7G GDR 1.31234
2 4B7X NAP 1.4881
3 2HHJ DG2 1.87266
4 2HHJ 3PG 1.87266
5 5N9T 8QQ 1.96078
6 1BXK NAD 1.97183
7 1OC2 NAD 2.29885
8 1OC2 TDX 2.29885
9 1VKO NAD 2.30179
10 4JOB TLA 2.55754
11 2ZCQ B65 2.73038
12 3LL5 ATP 2.81124
13 3LL5 ADP 2.81124
14 3LL5 IPE 2.81124
15 5Z2M GTP 2.89855
16 1VI2 NAD 3
17 1NPD NAD 3.125
18 3OBK PBG 3.37079
19 2H3H BGC 3.83387
20 4N8I COA 3.83632
21 1R6D NAD 3.85757
22 1VG8 GNP 3.86473
23 1IYE PGU 4.20712
24 5O2N FLC 4.34783
25 2J0W ADP 5.11509
26 3C1M ANP 5.11509
27 1TIP F6P 5.2356
28 1E19 ADP 5.41401
29 1GS5 NLG 5.42636
30 1GS5 ANP 5.42636
31 1M5B BN1 5.70342
32 4FDU IHS 5.88235
33 3LL9 ADP 5.94796
34 3OA2 NAD 6.60377
35 5G57 6M5 6.66667
36 1WA5 GTP 6.81818
37 3OI7 OI7 7.19178
38 3LL4 2FP 7.19178
39 3OCZ SRA 7.63359
40 1GTE FAD 7.92839
41 1YQZ FAD 8.18414
42 4HDQ GNP 8.98204
43 1M2K APR 9.63855
44 1SJD NPG 10.0543
45 3BC1 GNP 10.1695
46 3K4Q IHS 10.2302
47 5CDH TLA 10.4167
48 2O1C PPV 11.3333
49 3GCM 5GP 12.1951
50 1ZC3 GNP 12.3894
51 3TNF GNP 12.6437
52 3FDZ DG2 15.5642
53 1EFV FAD 17.2549
54 1EFV AMP 17.2549
55 3IT1 TLA 18.1287
56 5NWD 9C8 18.3673
Pocket No.: 2; Query (leader) PDB : 1NT4; Ligand: G1P; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 1nt4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6CS8 F9Y 1.9802
2 4IJ6 SEP 2.8436
3 4R5Z PMP 3.26975
4 5MEX SZZ 3.41615
5 4O1Z MXM 3.83632
6 2E3N 6CM 3.92157
7 2CJF RP4 5.09554
8 5I60 67W 6.50407
9 1M2X MCO 7.17489
10 2IBZ SMA 18.9189
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