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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FUE - M1P 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 2 families.
1 2FUE - M1P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FUE - M1P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M1P; 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 : 2FUE; Ligand: M1P; Similar sites found: 123
This union binding pocket(no: 1) in the query (biounit: 2fue.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01572 0.41595 None
2 3L6R MLI 0.00647 0.40369 None
3 3TKA CTN 0.002937 0.43738 1.52672
4 2NW9 FT6 0.002942 0.40114 1.52672
5 1XHL NDP 0.003611 0.45016 1.9084
6 1Z42 HBA 0.013 0.42305 1.9084
7 1RYI GOA 0.01503 0.41717 1.9084
8 1Z44 NPO 0.02811 0.4028 1.9084
9 5YAS FAC 0.002481 0.42691 1.94553
10 1HQL GLA MBG 0.006153 0.40463 1.94553
11 2VQ5 HBA 0.003675 0.41422 1.99005
12 3ZPG 5GP 0.002755 0.43534 2.29008
13 3ZGE ASP 0.006953 0.40908 2.32323
14 2YD6 FLC 0.006395 0.42099 2.35849
15 4HN1 TYD 0.001566 0.40449 2.48756
16 1GOY 3GP 0.02207 0.41007 2.58621
17 3IHB TRS 0.002442 0.49869 2.67176
18 3VPD BUA 0.001989 0.46647 2.67176
19 1TDF FAD 0.01242 0.43856 2.67176
20 1IYE PGU 0.01003 0.42806 2.67176
21 1MG1 MAL 0.01141 0.41425 2.67176
22 4HVK PMP 0.005067 0.41099 2.67176
23 3VPD CIT 0.01646 0.40645 2.67176
24 3IHB GLU 0.005752 0.40588 2.67176
25 3MAG 3MA 0.01935 0.40297 2.67176
26 2FWP ICR 0.01741 0.42124 2.73224
27 1UUY PPI 0.003106 0.4329 2.99401
28 2BLE 5GP 0.006176 0.46198 3.05344
29 4QVH FLC 0.01336 0.42301 3.05344
30 1RRC ADP 0.007374 0.42284 3.05344
31 1M0W ANP 0.01243 0.41215 3.05344
32 4A3X LAT 0.002991 0.43367 3.0837
33 1C3V PDC 0.001036 0.41891 3.26531
34 1Y7I SAL 0.001297 0.40197 3.35821
35 2C31 TZD 0.008622 0.46156 3.43511
36 3UDG TMP 0.0009597 0.45673 3.43511
37 1KC7 PPR 0.001081 0.43698 3.43511
38 1FDJ 2FP 0.001792 0.4356 3.43511
39 2C31 ADP 0.03706 0.42831 3.43511
40 4WBD ADP 0.003496 0.41515 3.43511
41 1FDJ 13P 0.002615 0.41369 3.43511
42 3DX5 DHB 0.0005025 0.40159 3.43511
43 1XX4 BAM 0.01277 0.40415 3.44828
44 3SCH TB6 0.002377 0.41539 3.53535
45 4DVE BTN 0.00581 0.41108 3.53535
46 4JCA CIT 0.009676 0.41781 3.59281
47 3ZLM ANP 0.0178 0.40044 3.7234
48 1YOA FMN 0.001454 0.46939 3.77358
49 1BTN I3P 0.01293 0.42449 3.77358
50 1HFA PIO 0.0009107 0.45449 3.81679
51 3I7S PYR 0.005939 0.41215 3.81679
52 2IZ1 ATR 0.004364 0.40453 3.81679
53 3BHO B4P 0.003128 0.44188 3.84615
54 1WHT BZS 0.003129 0.41048 3.90625
55 4UTW RFW 0.01906 0.40139 3.93013
56 1X54 4AD 0.001812 0.45386 4.19847
57 1RQH PYR 0.00103 0.43789 4.19847
58 4G1V FAD 0.007467 0.43015 4.19847
59 3NNF AKG 0.001356 0.42543 4.19847
60 2XDQ MGX 0.005197 0.42245 4.19847
61 2XI7 XI7 0.00111 0.47542 4.34783
62 1C1L GAL BGC 0.0006347 0.44688 4.37956
63 2FPU HSO 0.0004995 0.43243 4.54545
64 1SS4 GSH 0.01015 0.43096 4.57516
65 1SS4 CIT 0.01561 0.40551 4.57516
66 1O9U ADZ 0.001261 0.45118 4.58015
67 4AF5 CIT 0.0001103 0.47022 4.73684
68 1NF8 BOG 0.004348 0.41109 4.83092
69 2HW2 RFP 0.02623 0.40568 4.8951
70 9LDT OXM 0.00122 0.46191 4.96183
71 9LDB OXM 0.006441 0.42649 4.96183
72 1WGC SIA GAL BGC 0.01181 0.41355 5.26316
73 2Q3M MLA 0.006796 0.417 5.34351
74 4DXJ 0M9 0.005778 0.41118 5.34351
75 2OFE NAG 0.00524 0.40126 5.6338
76 3O03 GCO 0.003071 0.43313 5.72519
77 1JGS SAL 0.01589 0.4157 5.7971
78 3L24 GOA 0.0004683 0.47127 6.10687
79 3HZL 6PC 0.007594 0.41474 6.10687
80 1OGD RIP 0.0007297 0.41212 6.10687
81 3QDY CBS 0.002162 0.4241 6.29371
82 3QDW NDG 0.002543 0.42108 6.29371
83 3QDW A2G 0.006153 0.41902 6.29371
84 3QDX CBS 0.003445 0.41543 6.29371
85 3QDV A2G 0.01167 0.40599 6.29371
86 3UBW 6SP 0.0005975 0.47635 6.51341
87 1Y1A GSH 0.0006145 0.49375 6.55738
88 1UWZ THU 0.01263 0.40323 6.61765
89 2AZ3 CDP 0.001693 0.40156 6.70732
90 4N7U 2JA 0.00175 0.44454 6.84211
91 4B16 NAG 0.007016 0.42467 6.87023
92 4N02 FNR 0.04383 0.41499 6.87023
93 4UOH ADP 0.002764 0.42216 7.28477
94 4M5P MLA 0.005358 0.43042 7.63359
95 2V5E SCR 0.004576 0.43378 7.92079
96 2H6B 3C4 0.007543 0.45476 8
97 2XRH NIO 0.006706 0.40302 8
98 4COQ SAN 0.004277 0.40489 8.09717
99 4GYW UDP 0.001447 0.46882 8.39695
100 3C1O NAP 0.007346 0.42612 8.39695
101 4LIT AKG 0.002623 0.40264 8.77863
102 1IS3 LAT 0.00054 0.43059 8.88889
103 1T3D CYS 0.002507 0.42134 9.34256
104 1H8G CHT 0.0146 0.41761 9.47368
105 2BZ1 TAU 0.02457 0.40586 9.69388
106 1XE7 GUN 0.00299 0.43368 9.85222
107 2YVF NAD 0.005023 0.46788 9.92366
108 2YVF FAD 0.008493 0.45569 9.92366
109 1PTR PRB 0.001736 0.42818 10
110 2P1M IHP 0.0008173 0.47134 10.3053
111 4B7E OGA 0.002853 0.40164 10.687
112 1Y7P RIP 0.008096 0.40612 10.7623
113 3F81 STT 0.006844 0.41686 11.4754
114 4R33 TRP 0.005638 0.44227 12.2137
115 4R33 SAH 0.005638 0.44227 12.2137
116 2PTZ PAH 0.0005223 0.46387 12.9771
117 1UZN NAP 0.006956 0.41462 15.3846
118 2WQP WQP 0.01116 0.4207 15.6489
119 2Z9V PXM 0.001189 0.40948 15.6489
120 4W6Z ETF 0.002404 0.42971 17.1756
121 3S9K CIT 0.0009925 0.47682 19.4915
122 1SC3 MLI 0.00657 0.41019 29.5455
123 1G0V NAG 0.0004397 0.51185 32.2581
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