Receptor
PDB id Resolution Class Description Source Keywords
4ARE 2.19 Å EC: 3.4.24.3 CRYSTAL STRUCTURE OF THE COLLAGENASE UNIT OF COLLAGENASE G FROM CLOSTRIDIUM HISTOLYTICUM AT 2.19 ANGSTROM RESOLUTION. CLOSTRIDIUM HISTOLYTICUM HYDROLASE COLLAGEN PEPTIDASE COLLAGENOLYSIS METALLOPROTE
Ref.: STRUCTURAL BASIS FOR ACTIVITY REGULATION AND SUBSTR PREFERENCE OF CLOSTRIDIAL COLLAGENASES G, H, AND T. J.BIOL.CHEM. V. 288 20184 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRS A:1793;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
P6G A:1791;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
ZN A:1790;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
FLC A:1792;
Valid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ARE 2.19 Å EC: 3.4.24.3 CRYSTAL STRUCTURE OF THE COLLAGENASE UNIT OF COLLAGENASE G FROM CLOSTRIDIUM HISTOLYTICUM AT 2.19 ANGSTROM RESOLUTION. CLOSTRIDIUM HISTOLYTICUM HYDROLASE COLLAGEN PEPTIDASE COLLAGENOLYSIS METALLOPROTE
Ref.: STRUCTURAL BASIS FOR ACTIVITY REGULATION AND SUBSTR PREFERENCE OF CLOSTRIDIAL COLLAGENASES G, H, AND T. J.BIOL.CHEM. V. 288 20184 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ARE - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARE - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARE - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ARE; Ligand: FLC; Similar sites found: 47
This union binding pocket(no: 1) in the query (biounit: 4are.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CGD COA 0.03309 0.43961 1.45833
2 3CGD FAD 0.03309 0.43961 1.45833
3 2D09 FLV 0.007663 0.41144 1.4742
4 4OYA 1VE 0.04759 0.41962 1.48936
5 5EHR 5OD 0.0235 0.4086 1.52091
6 4GYW UDP 0.04923 0.40802 1.58273
7 1PS9 FAD 0.0259 0.42711 1.78838
8 4D7E FAD 0.04166 0.40757 1.8648
9 5A8E XTK 0.006869 0.42999 1.90476
10 5M8T 0TR 0.005147 0.41733 2.46637
11 4IJP 1EH 0.009941 0.426 2.51397
12 4NKW PLO 0.02807 0.40577 2.83401
13 2W1A TSA 0.01065 0.41148 3.17797
14 2RH1 CAU 0.01136 0.40545 3.2
15 5B4B LP5 0.03947 0.40607 3.22581
16 3WCA FPS 0.02914 0.40688 3.28767
17 1NJF AGS 0.02323 0.403 3.30935
18 5V13 JH3 0.006183 0.43806 3.47222
19 4OIC A8S 0.01565 0.40314 3.86473
20 1GHE ACO 0.0469 0.4064 3.9548
21 4UA3 COA 0.002828 0.44535 4.12371
22 5IFS ADP 0.01104 0.41087 4.158
23 5DP2 NAP 0.02393 0.41377 4.38596
24 3SQP 3J8 0.006847 0.40846 4.39331
25 3ZLM ANP 0.02879 0.40444 4.78723
26 2CE7 ADP 0.01039 0.41332 5.04202
27 4TWP AXI 0.007116 0.47345 5.16605
28 4RI1 ACO 0.02073 0.41214 5.37634
29 1W2Y DUN 0.02003 0.40478 5.67686
30 4USI ATP 0.01114 0.41135 5.84416
31 5N7O 69Y 0.01395 0.41674 5.88235
32 2Z9I GLY ALA THR VAL 0.001029 0.43691 6.79012
33 3ZJ0 ACO 0.01155 0.42214 7.28155
34 5JCM FAD 0.03825 0.41808 7.76053
35 5JCM NAD 0.03825 0.41808 7.76053
36 5JCM ISD 0.03977 0.41808 7.76053
37 2F5Z FAD 0.009371 0.4469 7.8125
38 5EFQ ADP 0.001135 0.46487 8.58209
39 4NST ADP 0.00131 0.45989 8.58209
40 5K7H IVC 0.02416 0.40866 9.09091
41 3BEJ MUF 0.04284 0.40035 10.084
42 5ECP JAA 0.03128 0.40706 10.7623
43 4J7N GTG 0.02394 0.413 12.6984
44 5F1R 42O 0.03156 0.40278 16.0338
45 2F99 AKV 0.02477 0.40672 19.6078
46 5A89 FMN 0.02845 0.41221 25
47 5A89 ADP 0.02667 0.41221 25
48 1YOK P6L 0.03643 0.41521 50
49 4P6X HCY 0.01224 0.41346 50
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