Receptor
PDB id Resolution Class Description Source Keywords
2XBL 1.62 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF GMHA FROM BURKHOLDERIA PSEUDOMALLEI IN COMPLEX WITH PRODUCT BURKHOLDERIA PSEUDOMALLEI CAPSULE ISOMERASE
Ref.: THE STRUCTURE OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI REVEALS A ZINC BINDING SITE AT THE HEART OF THE ACTIVE SITE. J.MOL.BIOL. V. 400 379 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M7P A:1198;
B:1197;
C:1197;
D:1199;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
290.162 C7 H15 O10 P C([C@...
PEG D:1200;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
PG4 A:1199;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
PGE C:1198;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
ZN A:1197;
B:1196;
C:1196;
D:1198;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XBL 1.62 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF GMHA FROM BURKHOLDERIA PSEUDOMALLEI IN COMPLEX WITH PRODUCT BURKHOLDERIA PSEUDOMALLEI CAPSULE ISOMERASE
Ref.: THE STRUCTURE OF SEDOHEPTULOSE-7-PHOSPHATE ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI REVEALS A ZINC BINDING SITE AT THE HEART OF THE ACTIVE SITE. J.MOL.BIOL. V. 400 379 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2XBL - M7P C7 H15 O10 P C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2XBL - M7P C7 H15 O10 P C([C@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1X92 - M7P C7 H15 O10 P C([C@H]([C....
2 2XBL - M7P C7 H15 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M7P; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 M7P 1 1
2 GMB 0.576923 0.97561
3 289 0.511111 0.658537
4 GMH 0.511111 0.658537
5 S7P 0.421053 0.863636
6 OI7 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XBL; Ligand: M7P; Similar sites found: 48
This union binding pocket(no: 1) in the query (biounit: 2xbl.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2B99 RDL 0.006164 0.41364 1.92308
2 2O2C G6Q 0.0003976 0.45842 2.0202
3 4RGQ 13P 0.01733 0.41189 2.0202
4 3H4T UDP 0.01207 0.40008 2.0202
5 1RL4 BRR 0.01367 0.40563 2.65957
6 1MOQ GLP 0.0005041 0.45853 3.0303
7 3U2U UDP 0.01999 0.40359 3.0303
8 2RGH FAD 0.034 0.40033 3.0303
9 5IXJ THR 0.01303 0.41007 3.53535
10 4XFR CIT 0.01869 0.40628 3.53535
11 3WMX THR 0.01748 0.42044 4.0404
12 4JSR 1NQ 0.03556 0.40578 4.0404
13 2F5X ASP 0.01407 0.40949 4.54545
14 5EOO CIT 0.01145 0.40883 4.54545
15 4CYI ATP 0.007828 0.40689 4.54545
16 1V7C HEY 0.01623 0.40301 4.54545
17 5J6Y BGC 0.02126 0.40111 4.78723
18 5J6Y GLC 0.02126 0.40111 4.78723
19 3FSJ D7K 0.02229 0.40132 5.05051
20 1KOJ PAN 0.000271 0.47287 5.55556
21 2CXS F6P 0.0006786 0.45692 5.55556
22 2B4G FMN 0.0108 0.40996 5.55556
23 3KRR DQX 0.04295 0.40822 6.06061
24 4W6Z 8ID 0.01091 0.42061 6.56566
25 3KAP FMN 0.004333 0.42035 6.80272
26 4AMV F6R 0.0003336 0.4618 7.07071
27 4UP4 NAG 0.001312 0.4534 7.07071
28 4UP4 NDG 0.001312 0.4534 7.07071
29 4TQK NAG 0.01247 0.41426 7.57576
30 2D24 XYS XYS 0.01412 0.4024 8.08081
31 4WXJ GLU 0.01654 0.40594 8.58586
32 2ZJ3 G6P 0.0006223 0.45657 9.09091
33 3PBB PBD 0.005617 0.40954 9.09091
34 1TLL FMN 0.006308 0.41629 9.59596
35 1AKV FMN 0.009377 0.40837 10.8844
36 1AG9 FMN 0.006651 0.40822 11.4286
37 5H9I XAN 0.005047 0.43258 11.6162
38 4IVN BMX 0.0004544 0.44799 12.1212
39 1X9I G6Q 0.0002963 0.47489 12.6263
40 4XSU UDP 0.01145 0.40735 13.6364
41 4XSU GLC 0.01418 0.40303 13.6364
42 3MJY FMN 0.009553 0.41891 14.6465
43 3MJY IJZ 0.009553 0.41891 14.6465
44 3F6R FMN 0.008673 0.40487 16.2162
45 2X1L MET 0.0114 0.41789 19.1919
46 4HEQ FMN 0.009946 0.40035 22.6027
47 2POC BG6 0.0004913 0.44819 22.7273
48 4LZJ 22H 0.0002809 0.4802 31.3131
Pocket No.: 2; Query (leader) PDB : 2XBL; Ligand: M7P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xbl.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XBL; Ligand: M7P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2xbl.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XBL; Ligand: M7P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2xbl.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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