-->
Receptor
PDB id Resolution Class Description Source Keywords
1VB9 2.2 Å EC: 3.2.1.135 CRYSTAL STRUCTURE OF THERMOACTINOMYCES VULGARIS R-47 ALPHA- AMYLASE II (TVA II) COMPLEXED WITH TRANSGLYCOSYLATED P RODUCT THERMOACTINOMYCES VULGARIS (BETA/ALPHA)8 BARREL GH FAMILY 13 HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE II (TVA II) COMPLEXED WITH TRANSGLYCOSYLATED PRODUCT EUR.J.BIOCHEM. V. 271 2530 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:601;
B:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC GLC GLC GLC GLC GLC A:701;
B:701;
Valid;
Valid;
none;
none;
submit data
972.846 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VB9 2.2 Å EC: 3.2.1.135 CRYSTAL STRUCTURE OF THERMOACTINOMYCES VULGARIS R-47 ALPHA- AMYLASE II (TVA II) COMPLEXED WITH TRANSGLYCOSYLATED P RODUCT THERMOACTINOMYCES VULGARIS (BETA/ALPHA)8 BARREL GH FAMILY 13 HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE II (TVA II) COMPLEXED WITH TRANSGLYCOSYLATED PRODUCT EUR.J.BIOCHEM. V. 271 2530 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB9 - GLC GLC GLC GLC GLC GLC n/a n/a
2 2D2O - GLC GLC GLC GLC GLC GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VB9 - GLC GLC GLC GLC GLC GLC n/a n/a
2 2D2O - GLC GLC GLC GLC GLC GLC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0I - GLC GLC GLC n/a n/a
2 1VB9 - GLC GLC GLC GLC GLC GLC n/a n/a
3 2D2O - GLC GLC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VB9; Ligand: GLC GLC GLC GLC GLC GLC; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 1vb9.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5OPJ AHR 1.36752
2 3KLL MAL 1.53846
3 1ESW ACR 1.6
4 4TVD BGC 1.7094
5 4UOZ GLA 1.7094
6 4UCF GLA 2.05128
7 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 2.12766
8 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 2.12766
9 2CW6 3HG 2.68456
10 4S3R 7SA 2.73504
11 4U6D 3DY 3.1401
12 4W93 3L9 3.42742
13 6GN6 GLC 5.14541
14 5LXB 7A9 5.3719
15 5GQX GLC GLC GLC GLC GLC GLC GLC 5.47009
16 2GJP BGC GLC DAF GLC GLC GLC DAF 6.18557
17 3ZVS MLI 6.25
18 2D3N GLC GLC GLC GLC 6.39175
19 2D3N GLC 6.39175
20 2D3N GLC GLC GLC GLC GLC GLC 6.39175
21 1PIG AGL GLC HMC AGL GLC BGC 6.45161
22 3TTY GLA 7.00855
23 2GDV BGC 7.34127
24 1NP0 NGT 7.89474
25 1JG9 GLC 8.20513
26 3CZG GLC 8.54701
27 5JBE GLC GLC GLC GLC GLC 10.0855
28 6BS6 GLC GLC GLC GLC GLC GLC GLC 10.2564
29 6BS6 GLC GLC GLC GLC 10.2564
30 2FHF GLC GLC GLC GLC 10.5983
31 3UER TUR 10.9924
32 3UER BTU 10.9924
33 1NBU PH2 11.7647
34 1JDC GLC GLC GLC GLC 12.1212
35 4U31 MVP 12.8205
36 5CGM MAL 13.8462
37 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 13.8716
38 1UA7 ACI GLD GLC ACI G6D BGC 15.6398
39 3AXI GLC 18.8034
40 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 18.9744
41 5ZCE MTT 19.8198
42 1GJW MAL 20.6838
43 1G94 DAF GLC DAF GLC GLC 26.3393
44 2CXG GLC G6D ACI GLC 28.0342
45 1UKQ GLC ACI G6D GLC 28.3761
46 3BMW GLC GLC G6D ACI GLC GLC GLC 29.0598
47 5WCZ NOJ 30.0855
48 8CGT TM6 30.4274
49 1QHO ABD 30.5983
50 1LWJ ACG 32.6531
51 3EDF CE6 35.7265
52 3EDF ACX 35.7265
53 2ZID GLC GLC GLC 35.7274
54 3WY2 BGC 36.0595
55 2PWG CTS 39.7482
56 5BRP PNG 41.1966
57 4HPH SUC 41.8605
58 3GBE NOJ 41.9355
59 5DO8 BGC 42.7027
60 5A2B MAL 46.2777
61 4E2O ACI G6D GLC ACI G6D BGC 47.3568
APoc FAQ
Feedback