Receptor
PDB id Resolution Class Description Source Keywords
2VHL 2.05 Å EC: 3.5.1.25 THE THREE-DIMENSIONAL STRUCTURE OF THE N-ACETYLGLUCOSAMINE- 6-PHOSPHATE DEACETYLASE FROM BACILLUS SUBTILIS BACILLUS SUBTILIS N- ACETYLEGLUCOSAMINE-6-PHOSPHATE CARBOHYDRATE METABOLISM HYDROLASE DEACETYLASE BACILLUS SUBTILIS
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF THE N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE FROM BACILLUS SUBTILIS J.BIOL.CHEM. V. 279 2809 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:1397;
A:1398;
B:1397;
B:1398;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
GLP A:1395;
B:1395;
Valid;
Valid;
none;
none;
submit data
259.151 C6 H14 N O8 P C([C@...
PGE A:1396;
B:1396;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VHL 2.05 Å EC: 3.5.1.25 THE THREE-DIMENSIONAL STRUCTURE OF THE N-ACETYLGLUCOSAMINE- 6-PHOSPHATE DEACETYLASE FROM BACILLUS SUBTILIS BACILLUS SUBTILIS N- ACETYLEGLUCOSAMINE-6-PHOSPHATE CARBOHYDRATE METABOLISM HYDROLASE DEACETYLASE BACILLUS SUBTILIS
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF THE N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE FROM BACILLUS SUBTILIS J.BIOL.CHEM. V. 279 2809 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2VHL - 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 2 families.
1 2VHL - GLP C6 H14 N O8 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 2VHL - GLP C6 H14 N O8 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 : 2VHL; Ligand: GLP; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 2vhl.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AHC TPP 0.008036 0.43195 1.76768
2 3PC3 P1T 0.01188 0.41177 2.0202
3 3AI7 TPP 0.01711 0.41007 2.0202
4 4OYA 1VE 0.03114 0.42603 2.27273
5 2O3Z AI7 0.03388 0.40454 2.95203
6 2RDT FMN 0.02356 0.40311 3.35917
7 2RDT 2RD 0.0325 0.40223 3.35917
8 2PWY SAH 0.02313 0.40065 3.48837
9 2OHH FMN 0.003351 0.44213 3.53535
10 1G0N NDP 0.04874 0.4001 3.88693
11 3JSX CC2 0.02414 0.4111 4.0293
12 1DBT U5P 0.01429 0.40436 4.1841
13 1OLS TDP 0.03599 0.41221 4.29293
14 3U2U UDP 0.03071 0.40461 4.94297
15 3W9Z FMN 0.008308 0.41577 4.96894
16 4OBW SAM 0.01604 0.40537 5.05837
17 1NAA 6FA 0.03835 0.41073 7.07071
18 1INN MET 0.01338 0.40544 7.83133
19 1XKQ NDP 0.03939 0.40009 7.85714
20 1XHL NDP 0.0303 0.40492 8.08081
21 5BO9 CSF 0.01999 0.4038 8.66873
22 5BO9 SIA GAL NGS 0.03134 0.40304 8.66873
23 1L3I SAH 0.01617 0.41268 9.375
24 2BFR ADP 0.02204 0.4017 9.375
25 5IXJ THR 0.01772 0.41453 10.6061
26 1DQX BMP 0.01894 0.40343 14.2322
27 3QF7 ANP 0.01569 0.41722 16
28 2VOH CIT 0.01535 0.40295 28.0255
Pocket No.: 2; Query (leader) PDB : 2VHL; Ligand: GLP; Similar sites found: 27
This union binding pocket(no: 2) in the query (biounit: 2vhl.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PS9 FAD 0.04213 0.40967 1.51515
2 4ZAH T5K 0.02687 0.40669 1.51515
3 2APC UDM 0.01786 0.40546 1.75439
4 5B3A 0JO 0.0206 0.4056 1.79949
5 1SOW NAD 0.04 0.40229 1.82927
6 2Q9U FMN 0.02103 0.40016 2.0202
7 4JB1 NAP 0.04999 0.41029 2.05882
8 2UYN 2KT 0.007948 0.42418 2.32558
9 3MB5 SAM 0.01871 0.40926 3.13725
10 4ITH RCM 0.02043 0.40419 3.40136
11 5FSY AR6 0.01896 0.40583 3.7594
12 1E5D FMN 0.01938 0.40848 3.78788
13 2Z6J FMN 0.0257 0.40893 3.91566
14 5M5G VAL MET LEU PRO GLY ARG GLY VAL PRO 0.04893 0.40259 4.29293
15 4YNU FAD 0.04432 0.41091 5.05051
16 5CUQ NSC 0.03014 0.4088 5.99251
17 4IQY AR6 0.01513 0.41395 6.25
18 2RH4 EMO 0.04399 0.41187 6.4982
19 5E72 SAM 0.0195 0.40681 6.6474
20 5X40 ACP 0.02341 0.40278 7.87671
21 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.02987 0.409 8.01282
22 2CK3 ADP 0.02151 0.40465 8.21918
23 1AE1 NAP 0.03491 0.40649 9.89011
24 5J60 FAD 0.0393 0.41045 10.625
25 5H86 BCO 0.03408 0.40131 11.3095
26 4FC7 COA 0.04265 0.41021 14.8014
27 4FC7 NAP 0.04265 0.41021 14.8014
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