-->
Receptor
PDB id Resolution Class Description Source Keywords
1QH5 1.45 Å EC: 3.1.2.6 HUMAN GLYOXALASE II WITH S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL GLUTATHIONE HOMO SAPIENS METALLO-HYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN GLYOXALASE II AND ITS CO WITH A GLUTATHIONE THIOLESTER SUBSTRATE ANALOGUE. STRUCTURE FOLD.DES. V. 7 1067 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GBP B:464;
Valid;
none;
submit data
523.356 C17 H23 Br N4 O8 S c1cc(...
GSH A:463;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
ZN A:261;
A:262;
B:261;
B:262;
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
1QH5 1.45 Å EC: 3.1.2.6 HUMAN GLYOXALASE II WITH S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL GLUTATHIONE HOMO SAPIENS METALLO-HYDROLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN GLYOXALASE II AND ITS CO WITH A GLUTATHIONE THIOLESTER SUBSTRATE ANALOGUE. STRUCTURE FOLD.DES. V. 7 1067 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1QH5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
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 1QH5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
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 1QH5 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GBP; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GBP 1 1
2 GIP 0.833333 0.966667
3 TGG 0.560976 0.606557
4 GS8 0.538462 0.609375
5 GSO 0.52809 0.639344
6 GNB 0.510204 0.761194
7 GSB 0.5 0.65
8 GDN 0.489583 0.714286
9 GTB 0.489362 0.742424
10 GBI 0.484211 0.704918
11 1R4 0.474227 0.731343
12 GSH 0.468354 0.6
13 GTD 0.463918 0.661972
14 0HG 0.462366 0.721311
15 GVX 0.46 0.688525
16 LZ6 0.457143 0.692308
17 GPR 0.454545 0.61194
18 GPS 0.454545 0.61194
19 48T 0.45 0.609375
Ligand no: 2; Ligand: GSH; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GS8 0.672727 0.840909
6 GDS 0.672727 0.837209
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 GSB 0.528571 0.878049
18 0HH 0.528571 0.782609
19 GSO 0.521127 0.857143
20 BOB 0.493506 0.75
21 GTB 0.493333 0.631579
22 GBI 0.486842 0.782609
23 48T 0.481013 0.8
24 GTD 0.480519 0.6
25 ESG 0.480519 0.62069
26 L9X 0.480519 0.62069
27 1R4 0.474359 0.62069
28 GIP 0.474359 0.6
29 GBP 0.468354 0.6
30 GPS 0.468354 0.72
31 GPR 0.468354 0.72
32 GAZ 0.457831 0.679245
33 GVX 0.45679 0.8
34 HFV 0.447761 0.8
35 ASV 0.446154 0.9
36 GNB 0.445783 0.6
37 VB1 0.444444 0.9
38 W05 0.444444 0.923077
39 LZ6 0.436782 0.692308
40 ACV 0.430769 0.878049
41 CDH 0.424242 0.818182
42 BCV 0.424242 0.9
43 2G2 0.42029 0.615385
44 HGA 0.42 0.622222
45 MEQ 0.411765 0.658537
46 M8F 0.411765 0.837209
47 TS4 0.410256 0.804348
48 M9F 0.405797 0.837209
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
51 M2W 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QH5; Ligand: GSH; Similar sites found with APoc: 25
This union binding pocket(no: 1) in the query (biounit: 1qh5.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6D6L FY4 1.17647
2 3BY9 SIN 2.30769
3 1JQI FAD 2.69231
4 2GVC FAD 3.07692
5 2GV8 FAD 3.07692
6 1XCL SAH 3.82979
7 2J3M ATP 3.84615
8 2J3M PRI 3.84615
9 3QLM PLM 4.03226
10 1LSH PLD 4.23077
11 3H4V NAP 4.23077
12 3H4V DVP 4.23077
13 3PFD FDA 5
14 2V2V V12 6.15385
15 1UJ2 C5P 6.34921
16 1UJ2 ADP 6.34921
17 5HIP 61O 6.60066
18 1BAI 0Q4 7.25806
19 4Q3S X7A 9.23077
20 1ZAP A70 10
21 3E9I XAH 10.3846
22 4OOP DUP 10.8434
23 4L1F FAD 14.6154
24 4YSL GSH 31.5385
25 5VE5 GSH 32.3077
Pocket No.: 2; Query (leader) PDB : 1QH5; Ligand: GBP; Similar sites found with APoc: 25
This union binding pocket(no: 2) in the query (biounit: 1qh5.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6D6L FY4 1.17647
2 3O0Q TTP 2.30769
3 2GVC FAD 3.07692
4 2GV8 FAD 3.07692
5 6GAS FAD 3.07692
6 2R0N FAD 3.46154
7 4EXS X8Z 3.46154
8 1ZEM NAD 3.84615
9 2J3M ATP 3.84615
10 2J3M PRI 3.84615
11 3H4V DVP 4.23077
12 3H4V NAP 4.23077
13 3VNM SDD 5
14 1VQW FAD 5.25164
15 5A3T MMK 5.76923
16 1UJ2 ADP 6.34921
17 5NDB 8TW 6.4
18 3WVC FEG 6.47059
19 5HIP 61O 6.60066
20 5ZQS BXP 7.30769
21 4ZO3 C6L 10.3846
22 3E9I XAH 10.3846
23 2BR6 HSL 17.0635
24 4YSL GSH 31.5385
25 5VE5 GSH 32.3077
APoc FAQ
Feedback