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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 3 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 3 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 3 families.
1 2VHL - GLP C6 H14 N O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 GLP 1 1
2 4R1 1 1
3 RP5 0.634146 0.755102
4 ABF 0.634146 0.755102
5 HSX 0.634146 0.755102
6 GRF 0.604651 0.846154
7 BGP 0.590909 0.829787
8 G6P 0.590909 0.829787
9 M6P 0.590909 0.829787
10 M6D 0.590909 0.829787
11 A6P 0.590909 0.829787
12 BG6 0.590909 0.829787
13 AHG 0.560976 0.673077
14 3LJ 0.541667 0.77193
15 RF5 0.521739 0.679245
16 50A 0.521739 0.679245
17 16G 0.509434 0.867925
18 4QY 0.509434 0.867925
19 BMX 0.509434 0.867925
20 NNG 0.490566 0.867925
21 95Z 0.488372 0.729167
22 X6X 0.488372 0.729167
23 PA1 0.488372 0.729167
24 1GN 0.488372 0.729167
25 GCS 0.488372 0.729167
26 FDQ 0.469388 0.660377
27 RI2 0.46 0.72
28 G16 0.433962 0.795918
29 D6G 0.431373 0.795918
30 TEC 0.412698 0.62069
31 1FT 0.412698 0.722222
32 PPC 0.410714 0.698113
33 PRP 0.410714 0.74
34 T6P 0.410714 0.764706
35 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 with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 2vhl.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5AE2 FAD 1.51515
2 2RAB FAD 1.51515
3 3AHC TPP 1.76768
4 3PC3 P1T 2.0202
5 3AI7 TPP 2.0202
6 4OYA 1VE 2.27273
7 2UYN 2KT 2.32558
8 4B2D SER 2.37226
9 6C2Z P1T 2.66667
10 3MJY FMN 2.89017
11 3MJY IJZ 2.89017
12 2O3Z AI7 2.95203
13 1PVS 7HP 3.19149
14 2RDT 2RD 3.35917
15 3FPZ AHZ 3.37423
16 2PWY SAH 3.48837
17 2OHH FMN 3.53535
18 2NZ2 ASP 3.78788
19 1G0N NDP 3.88693
20 3JSX CC2 4.0293
21 5VCM UDP 4.0404
22 4OHY ANP 4.0404
23 1DBT U5P 4.1841
24 6FRN FMN 4.29293
25 1OLS TDP 4.29293
26 2G50 ALA 4.79798
27 3U2U UDP 4.94297
28 1WD4 AHR 5.05051
29 6FK3 PPI 5.05051
30 4OBW SAM 5.05837
31 1YY5 FAD 5.30303
32 2HIM ASP 5.58659
33 2GMV PEP 6.06061
34 1NAA 6FA 7.07071
35 5FB3 NDP 7.39645
36 1INN MET 7.83133
37 1XKQ NDP 7.85714
38 1XHL NDP 8.08081
39 1SQL GUN 8.21918
40 5BO9 CSF 8.66873
41 5BO9 SIA GAL NGS 8.66873
42 1L3I SAH 9.375
43 2BFR ADP 9.375
44 2JK0 ASP 9.53846
45 5OJI ISN 9.61539
46 5OJI NAP 9.61539
47 4N02 FNR 10.084
48 6AMI TRP 10.6061
49 4D9M 0JO 10.8586
50 1DQX BMP 14.2322
51 3QF7 ANP 16
52 2VOH CIT 28.0255
Pocket No.: 2; Query (leader) PDB : 2VHL; Ligand: GLP; Similar sites found with APoc: 52
This union binding pocket(no: 2) in the query (biounit: 2vhl.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1PS9 FAD 1.51515
2 4ZAH T5K 1.51515
3 2APC UDM 1.75439
4 5B3A 0JO 1.79949
5 2HJR APR 1.82927
6 1SOW NAD 1.82927
7 4JB1 NAP 2.05882
8 1ZK7 FAD 2.27273
9 6BMN PAP 2.37288
10 1HSK FAD 2.45399
11 5EVY FAD 2.77778
12 3MB5 SAM 3.13725
13 4ITH RCM 3.40136
14 5TWJ SAM 3.7037
15 5FSY AR6 3.7594
16 1E5D FMN 3.78788
17 5JBE MAL 3.78788
18 4PLG NAI 3.89222
19 4PLG OXM 3.89222
20 2Z6J FMN 3.91566
21 6F97 FAD 4.0404
22 4D9C PMP 4.09357
23 4OWK NGA 4.34783
24 3HGM ATP 4.7619
25 4YNU FAD 5.05051
26 3A2Q ACA ACA 5.05051
27 1RP0 AHZ 5.28169
28 4KXV TDP DX5 5.30303
29 2HIM ASN 5.58659
30 3LU1 NAD 5.80808
31 5CUQ NSC 5.99251
32 4IQY AR6 6.25
33 2RH4 EMO 6.4982
34 6CI9 NAP 6.56371
35 5E72 SAM 6.6474
36 5AOV NAP 6.84524
37 5WKC TP9 7.32323
38 5X40 ACP 7.87671
39 3KV8 FAH 7.91367
40 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 8.01282
41 5O96 SAM 8.16327
42 2CK3 ADP 8.21918
43 3RLF ANP 8.42105
44 1RP7 TZD 9.59596
45 1AE1 NAP 9.89011
46 6CUZ FEV 10.567
47 1GPM CIT 10.6061
48 5J60 FAD 10.625
49 5H86 BCO 11.3095
50 2DTX BMA 13.6364
51 4FC7 NAP 14.8014
52 4FC7 COA 14.8014
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