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Receptor
PDB id Resolution Class Description Source Keywords
2FUE 1.75 Å EC: 5.4.2.8 HUMAN ALPHA-PHOSPHOMANNOMUTASE 1 WITH D-MANNOSE 1-PHOSPHATE COFACTOR BOUND HOMO SAPIENS PHOSPHOMANNOMUTASE ENZYME-PRODUCT COMPLEX PROTEIN GLYCOSYLCARBOHYDRATE-DEFICIENT GLYCOPROTEIN SYNDROME HALOALKANOIC DEHALOGENASE SUPERFAMILY ISOMERASE
Ref.: THE X-RAY CRYSTAL STRUCTURES OF HUMAN ALPHA-PHOSPHOMANNOMUTASE 1 REVEAL THE STRUCTURAL BA CONGENITAL DISORDER OF GLYCOSYLATION TYPE 1A. J.BIOL.CHEM. V. 281 14918 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M1P A:400;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
MG A:500;
A:501;
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
2FUE 1.75 Å EC: 5.4.2.8 HUMAN ALPHA-PHOSPHOMANNOMUTASE 1 WITH D-MANNOSE 1-PHOSPHATE COFACTOR BOUND HOMO SAPIENS PHOSPHOMANNOMUTASE ENZYME-PRODUCT COMPLEX PROTEIN GLYCOSYLCARBOHYDRATE-DEFICIENT GLYCOPROTEIN SYNDROME HALOALKANOIC DEHALOGENASE SUPERFAMILY ISOMERASE
Ref.: THE X-RAY CRYSTAL STRUCTURES OF HUMAN ALPHA-PHOSPHOMANNOMUTASE 1 REVEAL THE STRUCTURAL BA CONGENITAL DISORDER OF GLYCOSYLATION TYPE 1A. J.BIOL.CHEM. V. 281 14918 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6CFV - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 2FUE - M1P C6 H13 O9 P C([C@@H]1[....
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 6CFV - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 2FUE - M1P C6 H13 O9 P C([C@@H]1[....
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 6CFV - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 2FUE - M1P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M1P; 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 : 2FUE; Ligand: M1P; Similar sites found with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 2fue.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3OTX AP5 0.763359
2 1OJZ NAD 1.88679
3 5DRB 5FJ 1.9084
4 2XZ9 PYR 1.9084
5 2AWN ADP 1.9084
6 4RF7 ARG 1.9084
7 1PN4 HDC 1.9084
8 2V1O COA 1.98676
9 1OUK 084 2.29008
10 2YNE NHW 2.29008
11 2YNE YNE 2.29008
12 3JU6 ANP 2.29008
13 5KJW 53C 2.29008
14 3W2E NAD 2.29008
15 3W2E FAD 2.29008
16 1SDW IYT 2.29008
17 2Q0D ATP 2.29008
18 3NTY NAP 2.67176
19 2YAK OSV 2.67176
20 4ZS4 ATP 2.67176
21 4XFR CIT 2.67176
22 3W5J GDP 2.94118
23 3OYW TDG 2.98507
24 4WB6 ATP 3.05344
25 1EP2 ORO 3.05344
26 2JLD AG1 3.05344
27 2BLE 5GP 3.05344
28 1XAJ NAD 3.05344
29 1XAJ CRB 3.05344
30 3E7S AT2 3.05344
31 5AE9 OKO 3.05344
32 3E85 BSU 3.16456
33 5F90 GLA GAL 3.20513
34 5F90 GLA GAL BGC 5VQ 3.20513
35 1S3G AP5 3.22581
36 2WLG SOP 3.25581
37 5GVR LMR 3.4188
38 5XVG 8FX 3.43511
39 5DEY 59T 3.43511
40 4FG8 ATP 3.43511
41 3Q60 ATP 3.43511
42 1VRP ADP 3.43511
43 5XG5 A2G 3.44828
44 1ZIN AP5 3.68664
45 2A9K NAD 3.74332
46 5MW8 ATP 3.81679
47 3FC2 IBI 3.81679
48 5TA6 79D 3.81679
49 5J75 6GQ 3.81679
50 4UTW RFW 3.93013
51 2C6Q NDP 4.19847
52 2OM2 GDP 4.19847
53 2I6A 5I5 4.19847
54 4BG4 ADP 4.19847
55 4H3Q ANP 4.19847
56 1UNB AKG 4.19847
57 1UNB PN1 4.19847
58 4YZC STU 4.19847
59 2R5T ANP 4.19847
60 1ZEM NAD 4.19847
61 3LOO B4P 4.19847
62 5LLT DND 4.22535
63 5ODY 9SK 4.34783
64 4PSB GA3 4.51613
65 2PVN P63 4.58015
66 1WXI AMP 4.58015
67 2WQN ADP 4.58015
68 2WT2 GAL NAG GAL NAG GAL NAG 4.58015
69 1VPM COA 4.73373
70 2TPS TPS 4.84582
71 4WOE ADP 4.96183
72 2ICY UPG 4.96183
73 1U8V FAD 4.96183
74 2QG6 NMN 5.02513
75 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 5.26316
76 6C1S EFV 5.34351
77 4CLI 5P8 5.34351
78 4QAC KK3 5.52995
79 3FB4 AP5 5.55556
80 5EOB 5QQ 5.72519
81 1OG1 TAD 5.75221
82 5TBM 79A 5.98291
83 4Z87 GDP 6.10687
84 4L80 OXL 6.10687
85 3FAL LO2 6.19835
86 3ORK AGS 6.48855
87 1IA9 ANP 6.48855
88 5AB7 MLC 6.48855
89 3JQ3 ADP 6.48855
90 3HMO STU 6.48855
91 5LY1 PPI 6.87023
92 3FSM 2NC 7.38916
93 3EKK GS2 7.63359
94 3EM0 CHD 7.97101
95 4MNS 2AX 8.1761
96 4XIZ LPP 8.23529
97 3RWP ABQ 8.39695
98 1J0D 5PA 8.39695
99 1QD1 FON 8.39695
100 1IZC PYR 9.16031
101 4WHZ 3NL 9.92366
102 3MTX PGT 10.596
103 2CM4 RCL 10.6667
104 2C49 ADN 10.687
105 1Y7P RIP 10.7623
106 5DXI TRE 11.8321
107 4FXQ G9L 11.8321
108 5GP0 GPP 12.7517
109 3TTI KBI 12.9771
110 3EWP APR 12.9944
111 4FK7 P34 13.5371
112 3VQ2 LP4 LP5 MYR DAO 13.8889
113 2XMY CDK 20.9924
114 2BPM 529 20.9924
Pocket No.: 2; Query (leader) PDB : 2FUE; Ligand: M1P; 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: 2fue.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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