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Receptor
PDB id Resolution Class Description Source Keywords
3L8G 2.18 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS COLI COMPLEXED WITH D-GLYCERO-D-MANNO-HEPTOSE 1 ,7-BISPHOSP ESCHERICHIA COLI HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE CARBOHYDRATE METABOLISM CYTOPLASM HYDROLASELIPOPOLYSACCHARIDE BIOSYNTHESIS
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GMB A:3523;
Valid;
none;
submit data
370.142 C7 H16 O13 P2 C([C@...
MG A:188;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NA A:190;
Part of Protein;
none;
submit data
22.99 Na [Na+]
ZN A:189;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8G 2.18 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS COLI COMPLEXED WITH D-GLYCERO-D-MANNO-HEPTOSE 1 ,7-BISPHOSP ESCHERICHIA COLI HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE CARBOHYDRATE METABOLISM CYTOPLASM HYDROLASELIPOPOLYSACCHARIDE BIOSYNTHESIS
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GMB; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GMB 1 1
2 M7P 0.576923 0.97561
3 M1P 0.433962 0.928571
4 XGP 0.433962 0.928571
5 GL1 0.433962 0.928571
6 G1P 0.433962 0.928571
7 RI2 0.410714 0.860465
8 R1P 0.403846 0.840909
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8G; Ligand: GMB; Similar sites found with APoc: 119
This union binding pocket(no: 1) in the query (biounit: 3l8g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1QH9 LAC None
2 4UME KDO None
3 5AHO TLA None
4 1C4Q GLA GAL BGC None
5 1DCP HBI None
6 5JFS 6K0 1.06952
7 4KXL 6C6 1.31579
8 4IF4 BEF 1.60428
9 3FSY SCA 1.60428
10 1RQL VSO 2.13904
11 3EYA FAD 2.13904
12 2B82 ADN 2.13904
13 4U0I 0LI 2.13904
14 1Z5U CMP 2.13904
15 5OJ7 AR6 2.13904
16 6F6J SIN 2.13904
17 2CWH PYC 2.6738
18 2CWH NDP 2.6738
19 4N14 WR7 2.6738
20 1Z4O GL1 3.20856
21 4L6C 0BT 3.20856
22 3OCZ SRA 3.20856
23 6ES0 BW8 3.20856
24 2DKH FAD 3.20856
25 2DKH 3HB 3.20856
26 5OC1 FAD 3.20856
27 1M2K APR 3.20856
28 4USQ FAD 3.20856
29 1RP0 AHZ 3.20856
30 2WSI FAD 3.20856
31 3EF0 ALF 3.74332
32 5DK4 ATP 3.74332
33 5DK4 5BX 3.74332
34 1G0H IPD 3.74332
35 3GDN FAD 3.74332
36 4JDR FAD 3.74332
37 3WG6 NDP 3.74332
38 1L7N ALF 4.27807
39 1L7N AF3 4.27807
40 1L7P SEP 4.27807
41 1KNR FAD 4.27807
42 4L2I FAD 4.27807
43 3VHE 42Q 4.27807
44 2RAB FAD 4.27807
45 2F5Z FAD 4.27807
46 6F97 FAD 4.27807
47 3O3R NAP 4.27807
48 2CUL FAD 4.27807
49 4J75 TYM 4.27807
50 1LBZ FBP 4.27807
51 3K87 FAD 4.32432
52 4EUU BX7 4.70219
53 5U97 PIT 4.81283
54 5H2U 1N1 4.81283
55 2NP9 YE1 4.81283
56 2ART LPA AMP 5.34759
57 4YNU FAD 5.34759
58 4YNU LGC 5.34759
59 5EYG NAP 5.34759
60 4MIG G3F 5.34759
61 4M26 ZZU 5.34759
62 4M26 SIN 5.34759
63 2OO8 RAJ 5.34759
64 3ZV6 NAD 5.34759
65 5UKL SIX 5.60472
66 4XJC TTP 5.64972
67 4Z24 FAD 5.88235
68 6GWR FEW 5.88235
69 4AG8 AXI 5.88235
70 3G6K POP 5.88235
71 3G6K FAD 5.88235
72 5VX5 FUC GAL NAG GAL BGC 6.17284
73 2YN4 39J 6.41711
74 3GF4 FAD 6.41711
75 2FY3 CHT 6.41711
76 3GF4 UPG 6.41711
77 2OFV 242 6.95187
78 4HA6 FAD 6.95187
79 3HB5 E2B 6.95187
80 3FGZ BEF 7.03125
81 1R37 NAD 7.48663
82 5THQ NDP 7.72059
83 1E6E FAD 7.8125
84 4ITH RCM 8.02139
85 1T7Q 152 8.02139
86 1T7Q COA 8.02139
87 6EQS BV8 8.02139
88 5WHU SIA GAL 8.05369
89 6BR7 BEF 8.27068
90 1GTE IUR 8.55615
91 1GTE FMN 8.55615
92 1WPQ 13P 8.55615
93 5DX9 T6P 8.55615
94 2WZM NA7 8.55615
95 2H7C SIA 8.55615
96 4ZEV M6P 9.09091
97 2RCU BUJ 9.09091
98 2B5W NAP 9.09091
99 2FKA BEF 9.30233
100 2Q7V FAD 9.62567
101 1BDB NAD 9.62567
102 6CQF F97 10.101
103 3OJO NAD 10.1604
104 4FE3 U5P 10.6952
105 3KMT SAH 11.7647
106 1NAA 6FA 12.2995
107 1NAA ABL 12.2995
108 3SJ7 NDP 13.9037
109 1TE2 PGA 14.4385
110 2RFZ CTR 14.4385
111 3A1C ACP 14.9733
112 3AR5 TM1 16.0428
113 1Y57 MPZ 16.0428
114 2BOS GLA GAL GLC NBU 16.1765
115 2BOS GLA GAL GLC 16.1765
116 1L5Y BEF 17.6471
117 2P69 PLP 19.7861
118 2RBK VN4 20.3209
119 2FPU HSO 40.3409
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