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Receptor
PDB id Resolution Class Description Source Keywords
1FBL 2.5 Å EC: 3.4.24.7 STRUCTURE OF FULL-LENGTH PORCINE SYNOVIAL COLLAGENASE (MMP1) C-TERMINAL DOMAIN CONTAINING A CALCIUM-LINKED, FOUR-BLADED P ROPELLER SUS SCROFA METALLOPROTEASE
Ref.: STRUCTURE OF FULL-LENGTH PORCINE SYNOVIAL COLLAGENA REVEALS A C-TERMINAL DOMAIN CONTAINING A CALCIUM-LI FOUR-BLADED BETA-PROPELLER. STRUCTURE V. 3 541 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:993;
A:994;
A:995;
A:996;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
HTA A:900;
Valid;
none;
submit data
379.451 C19 H29 N3 O5 CC(C)...
ZN A:997;
A:998;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FBL 2.5 Å EC: 3.4.24.7 STRUCTURE OF FULL-LENGTH PORCINE SYNOVIAL COLLAGENASE (MMP1) C-TERMINAL DOMAIN CONTAINING A CALCIUM-LINKED, FOUR-BLADED P ROPELLER SUS SCROFA METALLOPROTEASE
Ref.: STRUCTURE OF FULL-LENGTH PORCINE SYNOVIAL COLLAGENA REVEALS A C-TERMINAL DOMAIN CONTAINING A CALCIUM-LI FOUR-BLADED BETA-PROPELLER. STRUCTURE V. 3 541 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1FBL - HTA C19 H29 N3 O5 CC(C)C[C@H....
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 1FBL - HTA C19 H29 N3 O5 CC(C)C[C@H....
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 1FBL - HTA C19 H29 N3 O5 CC(C)C[C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HTA; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 HTA 1 1
2 PLH 0.716418 0.88
3 GM6 0.53012 0.789474
4 0QI 0.5 0.690909
5 RO4 0.4125 0.777778
6 D66 0.4 0.709091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FBL; Ligand: HTA; Similar sites found with APoc: 88
This union binding pocket(no: 1) in the query (biounit: 1fbl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1Q1Y BB2 1.57068
2 4DV8 0LX 1.62162
3 2YB9 HA0 1.62162
4 3DWB RDF 1.62162
5 1Y79 LYS TRP 1.62162
6 5L44 K26 1.62162
7 5MZI FYK 1.62162
8 4CA5 3EF 1.89189
9 5O7E 9NB 1.89189
10 2XQ0 BES 1.89189
11 4AR8 IP8 GLY PRO ALA 2.16216
12 4QMN DB8 2.25806
13 5OGX FAD 2.38095
14 5DRB 5FJ 2.4055
15 4QHP 32Q 2.43243
16 4JE7 BB2 2.53807
17 3Q2H QHF 2.6936
18 2VJ8 HA2 2.7027
19 4GAA BES 2.7027
20 2Z48 A2G 2.7027
21 3QJ4 FAD 2.92398
22 4BXK 1IU 2.97297
23 1EJH M7G 3.15789
24 5KDS A2G THR ALA PRO GLY GLY NAG SIA 3.24324
25 2YIV YIV 3.24324
26 5ZI7 GLU 3.24324
27 5TDF ADE 3.39506
28 4OIV XX9 3.53982
29 3M6P BB2 3.62694
30 1RL4 BRR 3.7234
31 2J83 BAT 3.81679
32 3UWB BB2 3.8961
33 2XVD AS6 3.97351
34 1QJI PKF 4
35 2ZXG S23 4.05405
36 4K90 MLA 4.05405
37 3AHO 3A2 4.05405
38 4RFM 3P6 4.13534
39 4KX8 L2O VAL VAL ASP 4.32432
40 5MTE BB2 4.37956
41 3E3U NVC 4.56853
42 5KD8 TNR 4.59459
43 2OKL BB2 4.86486
44 1LQY BB2 4.8913
45 1KUK PCA LYS TRP 4.92611
46 3G6N MET ALA SER 5.2356
47 1J78 OLA 5.40541
48 1ATL 0QI 5.44554
49 4AIG FLX 5.47264
50 3D3X ARG ILE MET GLU NH2 5.67568
51 4B52 RDF 5.92105
52 1YP1 LYS ASN LEU 5.94059
53 2W14 WR2 5.94059
54 3C88 ARG ARG GLY CYS NH2 5.94595
55 1R55 097 6.07477
56 2ZL4 ALA ALA ALA ALA 6.12245
57 4DD8 BAT 6.25
58 3R1V AZB 6.29921
59 2OUA AES 6.38298
60 6BTN E8M 6.43564
61 6BTQ E8S 6.43564
62 1G27 BB1 6.54762
63 1S17 GNR 6.66667
64 3ZLR X0B 6.96203
65 3G5K BB2 7.10383
66 2FV5 541 7.27969
67 1BKC INN 7.42188
68 4EOX 0S5 8.37438
69 4TMN 0PK 8.5443
70 4DR9 BB2 9.375
71 2EW5 Y12 9.39227
72 4ZVI 4S4 9.45946
73 1WS1 BB2 10.2564
74 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 10.2703
75 4MA7 P2Z 10.3286
76 1KAP GLY SER ASN SER 11.6216
77 4ZW3 4S9 12.4324
78 3ZVS MLI 12.5
79 4WKI 3PW 14.4681
80 5JF2 SF7 14.7059
81 3HBV ALA LYS ALA SER GLN ALA ALA 15.6757
82 3KO0 TFP 18.8119
83 4B6C B5U 18.8776
84 6FBZ MGP 19.7531
85 2Y69 CHD 21.6216
86 5Z84 CHD 21.9178
87 5ZCO CHD 21.9178
88 5W97 CHD 21.9178
Pocket No.: 2; Query (leader) PDB : 1FBL; Ligand: HTA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1fbl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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