Receptor
PDB id Resolution Class Description Source Keywords
1Z4O 1.9 Å EC: 5.4.2.6 STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE WITH INHIBITOR BOUND AL GALACTOSE 1-PHOSPHATE LACTOCOCCUS LACTIS ISOMERASE BETA-PHOSPHOGLUCOMUTASE
Ref.: CHEMICAL CONFIRMATION OF A PENTAVALENT PHOSPHORANE COMPLEX WITH BETA-PHOSPHOGLUCOMUTASE J.AM.CHEM.SOC. V. 127 5298 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GL1 A:1220;
B:1221;
Valid;
Valid;
none;
none;
Ki = 30 uM
260.136 C6 H13 O9 P C([C@...
MG A:800;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z4O 1.9 Å EC: 5.4.2.6 STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE WITH INHIBITOR BOUND AL GALACTOSE 1-PHOSPHATE LACTOCOCCUS LACTIS ISOMERASE BETA-PHOSPHOGLUCOMUTASE
Ref.: CHEMICAL CONFIRMATION OF A PENTAVALENT PHOSPHORANE COMPLEX WITH BETA-PHOSPHOGLUCOMUTASE J.AM.CHEM.SOC. V. 127 5298 2005
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WF8 - BG6 C6 H13 O9 P C([C@@H]1[....
2 5OLY - G6P MGF n/a n/a
3 2WF9 - BG6 C6 H13 O9 P C([C@@H]1[....
4 4C4R Kd = 1.3 mM YO5 C7 H15 O8 P C([C@@H]1[....
5 6YDM - CIT C6 H8 O7 C(C(=O)O)C....
6 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
7 5OLX - BG6 MGF n/a n/a
8 2WF5 - BG6 MGF n/a n/a
9 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
10 6YDJ - BG6 C6 H13 O9 P C([C@@H]1[....
11 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
12 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
13 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GL1; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 GL1 1 1
2 XGP 1 1
3 M1P 1 1
4 G1P 1 1
5 R1P 0.852941 0.904762
6 JV4 0.675 0.904762
7 GFP 0.533333 0.909091
8 GP1 0.533333 0.833333
9 RI2 0.533333 0.837209
10 MBG 0.512195 0.674419
11 AMG 0.512195 0.674419
12 GYP 0.512195 0.674419
13 MMA 0.512195 0.674419
14 G16 0.5 0.928571
15 NG1 0.480769 0.754717
16 GN1 0.480769 0.754717
17 BGC XGP 0.472727 0.863636
18 MAN IPD MAN 0.471698 0.863636
19 IPD MAN 0.462963 0.904762
20 GLC G6P 0.461538 0.863636
21 BQZ 0.456522 0.707317
22 YO5 0.454545 0.883721
23 GPM 0.454545 0.883721
24 2M8 0.44 0.714286
25 BNX 0.434783 1
26 ALX 0.434783 1
27 GMB 0.433962 0.928571
28 56N 0.431373 0.697674
29 RGG 0.428571 0.690476
30 GAT 0.423077 0.6
31 MK0 0.42029 0.75
32 DEG 0.42 0.617021
33 GAL PHB 0.418182 0.681818
34 GLC U8V 0.418182 0.652174
35 MMA MAN 0.415094 0.666667
36 GPM GLC 0.413793 0.844444
37 MBG GLA 0.411765 0.666667
38 BGC GLA GAL 0.411765 0.697674
39 BGC GLC GLC GLC GLC GLC 0.407407 0.697674
40 BGC GLC GLC GLC GLC 0.407407 0.697674
41 J5B 0.403846 0.630435
42 GAL GLA 0.403846 0.697674
43 EBQ 0.403846 0.630435
44 FUC GAL 0.4 0.697674
Similar Ligands (3D)
Ligand no: 1; Ligand: GL1; Similar ligands found: 106
No: Ligand Similarity coefficient
1 IPT 0.9189
2 NBG 0.9086
3 JVA 0.9081
4 9KH 0.9029
5 790 0.8971
6 GC2 0.8957
7 M3Q 0.8949
8 GRX 0.8948
9 G6P 0.8940
10 BG6 0.8940
11 HSX 0.8937
12 X1P 0.8932
13 57O 0.8932
14 LIP 0.8931
15 S3P 0.8929
16 CSN 0.8917
17 IPD 0.8916
18 7WR 0.8876
19 GCU 0.8860
20 IBM 0.8840
21 QMS 0.8829
22 CCV 0.8810
23 67Y 0.8797
24 I4D 0.8793
25 KED 0.8791
26 BDP 0.8789
27 BGC 0.8780
28 XQI 0.8780
29 FXH 0.8773
30 2O6 0.8772
31 GCB 0.8771
32 EVA 0.8764
33 IOS 0.8764
34 FHN 0.8758
35 RP5 0.8757
36 BGP 0.8757
37 6DP 0.8754
38 CR1 0.8754
39 SRO 0.8750
40 GNL 0.8744
41 NSG 0.8744
42 TQU 0.8741
43 GLC 0.8735
44 ZON 0.8733
45 SG2 0.8731
46 EXD 0.8729
47 UFV 0.8727
48 3LJ 0.8723
49 KG1 0.8716
50 512 0.8714
51 GOX 0.8709
52 7FF 0.8704
53 NLA 0.8704
54 NAG 0.8701
55 ALN 0.8696
56 T6Z 0.8686
57 8U3 0.8685
58 NPA 0.8682
59 HPT 0.8679
60 3RI 0.8677
61 IAC 0.8671
62 DNC 0.8669
63 15A 0.8663
64 MP5 0.8657
65 VYM 0.8648
66 XH2 0.8646
67 IFG 0.8645
68 505 0.8643
69 TRP 0.8642
70 OMD 0.8636
71 KGK 0.8632
72 P84 0.8631
73 I59 0.8630
74 TSR 0.8630
75 SBK 0.8629
76 FWD 0.8628
77 NGO 0.8625
78 7I2 0.8624
79 CWD 0.8623
80 9GP 0.8613
81 K3Q 0.8611
82 TRF 0.8609
83 MUR 0.8608
84 PRZ 0.8602
85 L7T 0.8598
86 TNX 0.8596
87 GCS 0.8595
88 ESI 0.8595
89 F6P 0.8595
90 GT0 0.8594
91 NGT 0.8590
92 5OF 0.8590
93 APS 0.8590
94 LZ2 0.8588
95 9F8 0.8585
96 GLG 0.8579
97 JF2 0.8578
98 F52 0.8576
99 SYR 0.8574
100 GL2 0.8568
101 IOP 0.8565
102 9BF 0.8561
103 KWQ 0.8547
104 DTR 0.8545
105 5RP 0.8542
106 FA3 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z4O; Ligand: GL1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1z4o.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Z4O; Ligand: GL1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1z4o.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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