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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 (11)
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 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
6 5OLX - BG6 MGF n/a n/a
7 2WF5 - BG6 MGF n/a n/a
8 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
9 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
10 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
11 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
70% Homology Family (11)
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 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
6 5OLX - BG6 MGF n/a n/a
7 2WF5 - BG6 MGF n/a n/a
8 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
9 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
10 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
11 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
50% Homology Family (11)
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 1Z4O Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
6 5OLX - BG6 MGF n/a n/a
7 2WF5 - BG6 MGF n/a n/a
8 4C4S Kd = 0.66 mM GRX C7 H14 F O8 P C([C@@H]1[....
9 4C4T - GRX C7 H14 F O8 P C([C@@H]1[....
10 1O03 - G16 C6 H13 O12 P2 C([C@@H]1[....
11 1Z4N Ki = 30 uM GL1 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GL1; 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 : 1Z4O; Ligand: GL1; Similar sites found with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 1z4o.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2P39 SCR 1.29032
2 3ZOK GLY 1.80995
3 3H4V DVP 1.80995
4 4HNN LYS 2.26244
5 3JQ7 DX2 2.26244
6 4JWJ SAH 2.47525
7 1WPQ 13P 2.71493
8 1DQX BMP 2.71493
9 1PHP ADP 2.71493
10 1Z5U CMP 2.80374
11 1QPG MAP 3.16742
12 6EGU 43Y 3.16742
13 1DB1 VDX 3.16742
14 2FLI DX5 3.18182
15 1M2Z BOG 3.61991
16 5Z49 RUB 3.61991
17 4DP3 NDP 3.61991
18 4DP3 MMV 3.61991
19 1DKU AP2 4.0724
20 4JWH SAH 4.0724
21 2WZF BGC 4.0724
22 3KVY URA 4.0724
23 1KEW NAD 4.0724
24 4JWF SAH 4.14747
25 1OCU PIB 4.32099
26 1FIW PBZ 4.52489
27 1EXF GLY 4.52489
28 4L80 OXL 4.52489
29 1OW4 2AN 4.65116
30 3H2K BOG 5.42986
31 3OVR 5SP 5.42986
32 4E90 7RG 5.42986
33 1Z82 G3P 6.33484
34 1JQ3 AAT 6.33484
35 1Z82 G3H 6.33484
36 1HSL HIS 6.33484
37 3WXL ADP 6.37066
38 4B7X NAP 6.78733
39 1ZDQ MSM 7.23982
40 4D1J DGJ 7.23982
41 5AIP 4HP 7.53425
42 1SQS TLA 7.69231
43 3CV3 UDP 7.69231
44 1T10 F6P 7.69231
45 1WOG 16D 8.59729
46 4JX1 CAH 8.84956
47 2ART LPA AMP 9.95475
48 2WD7 VGD 10.4072
49 3JQA DX4 10.7639
50 3BMN AX3 10.7639
51 3JQB DX6 10.7639
52 3BMO AX4 10.7639
53 3JQF AX2 10.7639
54 4CLR FDB 10.7639
55 4CM4 4NR 10.7639
56 5JCJ 6JM 10.7639
57 3BMQ AX5 10.7639
58 3JQ8 DX3 10.7639
59 5JDI 6JO 10.7639
60 5K6A 6QT 10.7639
61 1GPM AMP 12.2172
62 2J9L ATP 12.4324
63 4XDA RIB 12.6697
64 2JKY 5GP 12.6697
65 5XSJ XYP 14.1892
66 1RZM E4P 14.9321
67 3LDQ 3P1 15.7895
68 4YJK URA 15.8371
69 3QXG TLA 41.629
Pocket No.: 2; Query (leader) PDB : 1Z4O; Ligand: GL1; Similar sites found with APoc: 92
This union binding pocket(no: 2) in the query (biounit: 1z4o.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 5H4S RAM 1.35747
3 2ZQO NGA 1.53846
4 2ZUX RAM 1.80995
5 5D2H AKG 2.26244
6 1CHM CMS 2.26244
7 6FOG OXL 2.26244
8 3F9W SAH 2.40964
9 4RYV ZEA 2.58065
10 1QH9 LAC 2.71493
11 3DUV KDO 2.71493
12 1TZJ A3B 2.71493
13 1H8P PC 2.75229
14 2PIE GLU LEU LYS TPO GLU ARG TYR 2.89855
15 1OGD RIP 3.05344
16 4BXF AKG 3.16742
17 4ZEV M6P 3.16742
18 5DZ2 212 3.16742
19 3L8G GMB 3.20856
20 5XJ7 87O 3.48259
21 3WY9 GDP 3.61991
22 1Y42 TYR 3.61991
23 5YT0 GDP 3.61991
24 3WYA GDP 3.61991
25 4P4M D3T 3.61991
26 2P69 PLP 4.0724
27 4B47 GDP 4.0724
28 3K8D KDO 4.0724
29 3ZZH NLG 4.0724
30 3OCZ SRA 4.19847
31 3FXU TSU 4.52489
32 4G8R 96P 4.52489
33 2RBK VN4 4.52489
34 3AJ6 NGA 4.52489
35 5M04 GDP 4.52489
36 5WXU FLC 4.52489
37 1L7P SEP 4.73934
38 3P13 RIP 4.86111
39 3VOZ 04A 4.97738
40 2VHJ ADP 4.97738
41 5U97 PIT 4.97738
42 1L5Y BEF 5.16129
43 5VAH SAH 5.42986
44 4IF4 BEF 5.76923
45 1YNS HPO 5.88235
46 4RM0 FUC NAG GAL 5.88235
47 4M3P HCS 5.88235
48 1L7N ALF 6.16114
49 1L7N AF3 6.16114
50 3EF0 ALF 6.33484
51 4L6C 0BT 6.43564
52 2QN6 GDP 6.45161
53 2VNO GAL GAL FUC 6.66667
54 3NBC LAT 6.75676
55 5FG3 GDP 6.78733
56 2EA1 GPG 6.78733
57 5N6N SUC 6.78733
58 1XPJ TLA 7.14286
59 5WP4 PC 7.69231
60 3KCC CMP 7.69231
61 1OFZ FUC 7.69231
62 5V6F MAN BMA MAN 8.69565
63 6BR7 BEF 9.02256
64 3JU6 ARG 9.04977
65 2JAR UMP 9.5
66 1MKY GDP 9.50226
67 1RE0 GDP 9.50226
68 2PNZ 5GP 9.95475
69 2C3H GLC GLC 10.2041
70 4R74 F6P 10.4072
71 5F7J ADE 10.4072
72 4FE3 U5P 10.8597
73 5SXS NIZ 10.8597
74 3U6B GDP 10.8597
75 4P3Y GDP 10.8597
76 4JLZ UTP 11.3122
77 6C0B PAM 11.5385
78 2AJH MET 11.7347
79 5HZ9 5M8 12.5926
80 2WG9 OCA 13.8462
81 1MFA GLA MMA ABE 15.8333
82 1K4M CIT 15.9624
83 1MID LAP 17.5824
84 5AHO TLA 17.6471
85 2FKA BEF 17.8295
86 3FGZ BEF 17.9688
87 4BHL ARG 19.0045
88 3IT6 ORN 23.9024
89 2YN4 39J 24.4344
90 3E81 SLB 33.5366
91 1TE2 PGA 40.724
92 1RQL VSO 40.724
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