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Receptor
PDB id Resolution Class Description Source Keywords
4AR8 2.05 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE T F CLOSTRIDIUM TETANI COMPLEXED WITH THE PEPTIDIC INHIBITOR ISP HOSPHONYL-GLY-PRO-ALA AT 2.05 ANGSTROM RESOLUTION. CLOSTRIDIUM TETANI HYDROLASE-INHIBITOR COMPLEX COLLAGENOLYSIS METALLOPROTEASEPEPTIDASE HYDROLASE
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
ZN A:1731;
B:1731;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
CA B:1732;
A:1732;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
IP8 GLY PRO ALA D:0;
C:0;
Valid;
Valid;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AR8 2.05 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE T F CLOSTRIDIUM TETANI COMPLEXED WITH THE PEPTIDIC INHIBITOR ISP HOSPHONYL-GLY-PRO-ALA AT 2.05 ANGSTROM RESOLUTION. CLOSTRIDIUM TETANI HYDROLASE-INHIBITOR COMPLEX COLLAGENOLYSIS METALLOPROTEASEPEPTIDASE HYDROLASE
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 293 families.
1 4AR8 - IP8 GLY PRO ALA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4AR8 - IP8 GLY PRO ALA n/a n/a
2 4ARF - IP8 GLY PRO ALA n/a n/a
3 5O7E ic50 = 0.017 uM 9NB C10 H11 N O2 S CC(=O)c1cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4AR8 - IP8 GLY PRO ALA n/a n/a
2 4ARF - IP8 GLY PRO ALA n/a n/a
3 5O7E ic50 = 0.017 uM 9NB C10 H11 N O2 S CC(=O)c1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IP8 GLY PRO ALA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AR8; Ligand: IP8 GLY PRO ALA; Similar sites found with APoc: 102
This union binding pocket(no: 1) in the query (biounit: 4ar8.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6CED EYA None
2 5K8P 6R8 1.77665
3 2RAB FAD 1.77665
4 5NE2 DGL 1.79856
5 3HB5 E2B 2.14067
6 1FBL HTA 2.16216
7 2GU8 796 2.37389
8 1PVN MZP 2.39362
9 5W19 9TD 2.53807
10 4DR9 BB2 2.60417
11 1LQY BB2 2.71739
12 1SJD NPG 2.71739
13 5L44 K26 2.79188
14 2IBN I1N 2.8
15 2W14 WR2 2.9703
16 5NM7 GLY 3.00752
17 4IN9 SER TRP PHE PRO 3.01205
18 2VJ8 HA2 3.04569
19 2P0D I3P 3.10078
20 4KX8 L2O VAL VAL ASP 3.29949
21 4Z87 GDP 3.29949
22 5MRH Q9Z 3.29949
23 4J56 FAD 3.29949
24 4K90 MLA 3.3419
25 5JF2 SF7 3.43137
26 2FV5 541 3.44828
27 1ATL 0QI 3.46535
28 1QJI PKF 3.5
29 1BKC INN 3.51562
30 4GAA BES 3.5533
31 5ZI7 GLU 3.5533
32 5A3Y VAL LYS 3.5533
33 3M6P BB2 3.62694
34 1Q1Y BB2 3.66492
35 1RL4 BRR 3.7234
36 1KAP GLY SER ASN SER 3.80711
37 3G5K BB2 3.82514
38 3UWB BB2 3.8961
39 1YP1 LYS ASN LEU 3.9604
40 3HBV ALA LYS ALA SER GLN ALA ALA 4.06091
41 1G27 BB1 4.16667
42 2TPL HPP 4.31472
43 4TMN 0PK 4.43038
44 4EOX 0S5 4.4335
45 3E3U NVC 4.56853
46 2ZXG S23 4.56853
47 2TCL RO4 4.73373
48 4DD8 BAT 4.80769
49 4CA5 3EF 4.82234
50 2OKL BB2 4.86486
51 3Q2H QHF 5.05051
52 3DWB RDF 5.07614
53 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 5.07614
54 5LX9 OLB 5.21173
55 3WV1 WHH 5.26316
56 1Y79 LYS TRP 5.32995
57 1SQL GUN 5.47945
58 1ZVX FIN 5.52147
59 5A0R ACE GLU VAL ASN PRO 5.55556
60 2XQ0 BES 5.58376
61 3C88 ARG ARG GLY CYS NH2 5.58376
62 1R55 097 5.60748
63 4WZV E40 5.625
64 2J83 BAT 5.72519
65 5DX3 EST 5.74713
66 6A56 LAT 6.09756
67 4QHP 32Q 6.34518
68 5AEW BNL 6.38298
69 4RDN 6MD 6.58683
70 1BZL FAD 6.59898
71 4V3I ASP LEU THR ARG PRO 6.61479
72 5ZA2 NXL 6.77966
73 4WKI 3PW 6.80851
74 2GBB CIT 7.05128
75 1MMQ RRS 7.05882
76 2YB9 HA0 7.1066
77 1S17 GNR 7.22222
78 1Q3A NGH 7.27273
79 1OYF MHN 7.43802
80 4BXK 1IU 7.61421
81 5H0U HIS HIS HIS HIS HIS HIS 7.64706
82 1WS1 BB2 7.69231
83 5MTE BB2 8.0292
84 2XHK AKG 8.10811
85 1RM8 BAT 8.28402
86 3A76 SPD 9.09091
87 3SBZ MLI 9.12698
88 1KUK PCA LYS TRP 9.35961
89 1HFS L04 9.375
90 3ZVS MLI 10
91 4B52 RDF 10.1974
92 5V4R MGT 10.4938
93 6F8B CXH 11.6279
94 4DV8 0LX 12.6904
95 3D3X ARG ILE MET GLU NH2 12.9442
96 5KK4 44E 14.5833
97 4JE7 BB2 14.7208
98 3KO0 TFP 14.8515
99 1L5Y BEF 16.129
100 1GG6 APL 18.3206
101 4ZW3 4S9 19.0355
102 4AIG FLX 20.398
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