Receptor
PDB id Resolution Class Description Source Keywords
3CXQ 2.3 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF HUMAN GLUCOSAMINE 6-PHOSPHATE N- ACETYLTRANSFERASE 1 BOUND TO GLCN6P HOMO SAPIENS GLUCOSAMINE 6-PHOSPHATE N-ACETYLTRANSFERASE 1 ACYLTRANSFERASE ENDOSOME GOLGI APPARATUS MEMBRANE TRANSFERASE
Ref.: ACCEPTOR SUBSTRATE BINDING REVEALED BY CRYSTAL STRUCTURE OF HUMAN GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE 1 FEBS LETT. V. 582 2973 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLP A:185;
Valid;
none;
submit data
259.151 C6 H14 N O8 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CXQ 2.3 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF HUMAN GLUCOSAMINE 6-PHOSPHATE N- ACETYLTRANSFERASE 1 BOUND TO GLCN6P HOMO SAPIENS GLUCOSAMINE 6-PHOSPHATE N-ACETYLTRANSFERASE 1 ACYLTRANSFERASE ENDOSOME GOLGI APPARATUS MEMBRANE TRANSFERASE
Ref.: ACCEPTOR SUBSTRATE BINDING REVEALED BY CRYSTAL STRUCTURE OF HUMAN GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE 1 FEBS LETT. V. 582 2973 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CXQ - GLP C6 H14 N O8 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 4 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
2 4AG9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLP; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 4R1 1 1
2 GLP 1 1
3 ABF 0.634146 0.755102
4 HSX 0.634146 0.755102
5 RP5 0.634146 0.755102
6 GRF 0.604651 0.846154
7 BG6 0.590909 0.829787
8 G6P 0.590909 0.829787
9 A6P 0.590909 0.829787
10 M6D 0.590909 0.829787
11 BGP 0.590909 0.829787
12 M6P 0.590909 0.829787
13 AHG 0.560976 0.673077
14 3LJ 0.541667 0.77193
15 50A 0.521739 0.679245
16 RF5 0.521739 0.679245
17 BMX 0.509434 0.867925
18 16G 0.509434 0.867925
19 4QY 0.509434 0.867925
20 NNG 0.490566 0.867925
21 GCS 0.488372 0.729167
22 X6X 0.488372 0.729167
23 PA1 0.488372 0.729167
24 1GN 0.488372 0.729167
25 FDQ 0.469388 0.660377
26 G16 0.433962 0.795918
27 D6G 0.431373 0.795918
28 1FT 0.412698 0.722222
29 TEC 0.412698 0.62069
30 PPC 0.410714 0.698113
31 T6P 0.410714 0.764706
32 PRP 0.410714 0.74
33 N 0.408163 0.660377
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CXQ; Ligand: GLP; Similar sites found: 57
This union binding pocket(no: 1) in the query (biounit: 3cxq.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XBP ATP 0.006234 0.44712 None
2 2PAR TMP 0.02654 0.41467 None
3 2GNK ATP 0.006429 0.41444 None
4 3QXC ATP 0.01428 0.40917 None
5 2OD9 A1R NCA 0.003416 0.44253 1.63043
6 3LZW FAD 0.003955 0.44919 2.17391
7 3OND ADN 0.04432 0.40751 2.17391
8 3OND NAD 0.04432 0.40751 2.17391
9 1DAK DPU 0.0467 0.40084 2.17391
10 1DAK ADP 0.0467 0.40084 2.17391
11 3NBK PNS 0.0031 0.44511 2.71739
12 4CS4 ANP 0.02046 0.41499 2.71739
13 4CS4 AXZ 0.02667 0.41499 2.71739
14 2VBQ BSJ 0.003821 0.44539 3.0303
15 1TDF NAP 0.02615 0.43141 3.26087
16 3RSR N5P 0.01264 0.42572 3.26087
17 1CSI OAA 0.01507 0.42313 3.26087
18 1CSI CMX 0.01507 0.42313 3.26087
19 2YVF FAD 0.003239 0.47062 3.80435
20 2YVF NAD 0.003349 0.47062 3.80435
21 4LWA Q13 0.01261 0.42675 3.80435
22 2YCD GTB 0.005373 0.40917 3.80435
23 1RYI FAD 0.0486 0.40086 3.9267
24 1VF1 GSH 0.003649 0.42499 4.34783
25 3CIP ATP 0.0244 0.41598 4.34783
26 2WQF FMN 0.006391 0.40603 4.34783
27 1MVN FMN 0.01039 0.42969 4.8913
28 3IO3 ADP 0.007406 0.4118 4.8913
29 3S9K CIT 0.00994 0.43407 5.08475
30 1VPM COA 0.008022 0.41725 5.32544
31 1SB8 NAD 0.008067 0.44306 5.43478
32 1SB8 UD2 0.02982 0.41876 5.43478
33 4G1V FAD 0.01085 0.41726 5.43478
34 1V35 NAI 0.02467 0.41488 5.43478
35 2Q1S NAI 0.01557 0.4261 5.97826
36 4CO3 ATP 0.02949 0.41249 6.25
37 1EP2 FMN 0.004108 0.43616 6.52174
38 3WD1 ST7 0.01367 0.42877 6.52174
39 4IS0 GDS 0.003966 0.42141 7.06522
40 2J07 HDF 0.0468 0.40709 7.06522
41 2J07 FAD 0.0468 0.40709 7.06522
42 1SS4 GSH 0.009487 0.43906 7.18954
43 3UR0 SVR 0.02627 0.41613 7.6087
44 1UXG NAD 0.02825 0.40938 7.6087
45 1UXG FUM 0.02825 0.40938 7.6087
46 9LDB NAD 0.03101 0.40029 7.6087
47 4W97 UCA 0.01031 0.41399 8.15217
48 2WR8 SAH 0.02573 0.40834 8.15217
49 4CKU P2F 0.0379 0.41081 8.69565
50 1PFK FBP 0.004311 0.41065 8.69565
51 1YBH FAD 0.04573 0.4004 8.69565
52 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 0.01158 0.4265 10.3261
53 1FW1 GSH 0.009407 0.40128 10.3261
54 2HJ3 FAD 0.005686 0.42042 11.9565
55 2V6O FAD 0.01693 0.44195 13.0435
56 1REO FAD 0.04549 0.40051 13.0435
57 1H82 GZZ 0.02436 0.4277 14.1304
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