-->
Receptor
PDB id Resolution Class Description Source Keywords
2CIR 1.6 Å EC: 5.1.3.15 STRUCTURE-BASED FUNCTIONAL ANNOTATION: YEAST YMR099C CODES F HEXOSE-6-PHOSPHATE MUTAROTASE. COMPLEX WITH GLUCOSE-6-PHOSP SACCHAROMYCES CEREVISIAE HYPOTHETICAL PROTEIN ISOMERASE
Ref.: STRUCTURE-BASED FUNCTIONAL ANNOTATION: YEAST YMR099 FOR A D-HEXOSE-6-PHOSPHATE MUTAROTASE. J. BIOL. CHEM. V. 281 30175 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BG6 A:501;
Valid;
none;
Kd = 200 uM
260.136 C6 H13 O9 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CIR 1.6 Å EC: 5.1.3.15 STRUCTURE-BASED FUNCTIONAL ANNOTATION: YEAST YMR099C CODES F HEXOSE-6-PHOSPHATE MUTAROTASE. COMPLEX WITH GLUCOSE-6-PHOSP SACCHAROMYCES CEREVISIAE HYPOTHETICAL PROTEIN ISOMERASE
Ref.: STRUCTURE-BASED FUNCTIONAL ANNOTATION: YEAST YMR099 FOR A D-HEXOSE-6-PHOSPHATE MUTAROTASE. J. BIOL. CHEM. V. 281 30175 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CIR Kd = 200 uM BG6 C6 H13 O9 P C([C@@H]1[....
2 2CIS Kd = 0.985 mM TA6 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 1 families.
1 2CIR Kd = 200 uM BG6 C6 H13 O9 P C([C@@H]1[....
2 2CIS Kd = 0.985 mM TA6 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 1 families.
1 2CIR Kd = 200 uM BG6 C6 H13 O9 P C([C@@H]1[....
2 2CIS Kd = 0.985 mM TA6 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BG6; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 M6D 1 1
2 BG6 1 1
3 G6P 1 1
4 A6P 1 1
5 BGP 1 1
6 M6P 1 1
7 RP5 0.8 0.902439
8 ABF 0.8 0.902439
9 HSX 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 50A 0.571429 0.8
14 RF5 0.571429 0.8
15 16G 0.55102 0.75
16 4QY 0.55102 0.75
17 BMX 0.55102 0.75
18 EMZ 0.55 0.636364
19 GRF 0.547619 0.692308
20 NNG 0.530612 0.75
21 XYT 0.527273 0.906977
22 1FT 0.517857 0.847826
23 FDQ 0.511111 0.777778
24 G16 0.5 0.951219
25 PRP 0.5 0.880952
26 RI2 0.5 0.857143
27 T6P 0.470588 0.906977
28 D6G 0.468085 0.951219
29 P3M 0.466667 0.906977
30 GIV 0.461538 0.675
31 GLC 0.461538 0.675
32 ALL 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 BGC 0.461538 0.675
37 WOO 0.461538 0.675
38 GLA 0.461538 0.675
39 MAN 0.461538 0.675
40 LAK 0.45098 0.674419
41 GLA BGC 0.45098 0.674419
42 MAN MAN 0.45098 0.674419
43 GLC GLC 0.45098 0.674419
44 BGC GLC 0.45098 0.674419
45 MAN BMA 0.45098 0.674419
46 GAL GLC 0.45098 0.674419
47 BMA MAN 0.45098 0.674419
48 BMA GLA 0.45098 0.674419
49 GLA GLC 0.45098 0.674419
50 GLC BGC 0.45098 0.674419
51 GLA BMA 0.45098 0.674419
52 MLB 0.45098 0.674419
53 BGC GLA 0.45098 0.674419
54 GAL GAL 0.45098 0.674419
55 N 0.444444 0.777778
56 PPC 0.442308 0.822222
57 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
58 GLC GLC GLC 0.433962 0.674419
59 MAN MAN MAN 0.433962 0.674419
60 BMA MAN MAN 0.433962 0.674419
61 GLC GLC GLC GLC BGC 0.433962 0.674419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CIR; Ligand: BG6; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 2cir.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3VC3 C6P 1.6835
2 3W0O ADP 2.3569
3 3W0O HY0 2.3569
4 5CKW ANP 2.3569
5 1XE7 GUN 2.46305
6 1O68 KIV 2.54545
7 3VOT ADP 3.367
8 1Q0H FOM 3.7037
9 1REQ DCA 3.7037
10 4C01 QY9 3.90071
11 1UU6 BGC BGC BGC BGC 4.46429
12 1SO0 GAL 4.7138
13 6F6J SIN 5.38721
14 6F6J CUW 5.38721
15 4NZN 2OU 5.72391
16 4NZN ANP 5.72391
17 1V7C HEY 6.39731
18 5HZ9 5M8 6.66667
19 4MLO PAM 7.6087
20 1OIK C26 8.08081
21 2YOO K2B 8.08081
22 3WDM ADN 8.81226
23 1NSZ GLC 12.4579
24 1Z45 GAL 17.5084
25 5H5A 6OU 21.6667
APoc FAQ
Feedback