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Receptor
PDB id Resolution Class Description Source Keywords
3DG6 1.6 Å EC: 5.5.1.- CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM MUCOBA SMEGMATIS COMPLEXED WITH MUCONOLACTONE MYCOBACTERIUM SMEGMATIS MUCONATE LACTONIZING ENZYME MUCONOLACTONE BINDING ISOMERAS
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: STEREOCHEMICALLY DISTINCT MECHANISMS I FAMILIES OF CIS,CIS-MUCONATE LACTONIZING ENZYMES BIOCHEMISTRY V. 48 1445 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
MUC A:1001;
Valid;
none;
submit data
142.109 C6 H6 O4 C1=CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DG6 1.6 Å EC: 5.5.1.- CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM MUCOBA SMEGMATIS COMPLEXED WITH MUCONOLACTONE MYCOBACTERIUM SMEGMATIS MUCONATE LACTONIZING ENZYME MUCONOLACTONE BINDING ISOMERAS
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: STEREOCHEMICALLY DISTINCT MECHANISMS I FAMILIES OF CIS,CIS-MUCONATE LACTONIZING ENZYMES BIOCHEMISTRY V. 48 1445 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
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 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
3 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
4 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MUC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MUC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DG6; Ligand: MUC; Similar sites found with APoc: 85
This union binding pocket(no: 1) in the query (biounit: 3dg6.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1T27 PCW 1.10701
2 4J36 1HR 1.20482
3 4J36 FAD 1.20482
4 3QRY DMJ 1.63488
5 5D4Y BXP 1.69014
6 4AMF ACP 1.90736
7 3UPY FOM 1.90736
8 5A7V MAN 1.90736
9 1AL8 DHP 1.94986
10 1AL8 FMN 1.94986
11 3GLC R5P 2.0339
12 1P4C FMN 2.17984
13 2RDT 2RD 2.17984
14 2RDT FMN 2.17984
15 3W25 XYP XYP 2.38095
16 4IP7 FLC 2.45232
17 1RZM PEP 2.66272
18 3U6W KIV 2.7248
19 4D1J DGJ 2.7248
20 6DQU GLY ILE ILE ASN THR LEU 2.7248
21 2PFY PCA 2.99003
22 5M67 NAD 2.99728
23 5M67 ADE 2.99728
24 5M67 3D1 2.99728
25 1AJ0 SAN 3.19149
26 1AJ0 PH2 3.19149
27 3QTP 2PG 3.26975
28 4OJ8 AKG 3.26975
29 4ZCW 4NG 3.54223
30 2CET PGI 3.54223
31 4URF 1PS 3.62903
32 4N02 FNR 3.64146
33 5BOE PEP 3.81471
34 1KBI FMN 3.81471
35 1KBI PYR 3.81471
36 1KBJ FMN 3.81471
37 1V0L XIF XYP 3.83387
38 1WUB OTP 3.93258
39 4CNO 9PY 3.96825
40 1KKR 2AS 4.08719
41 2XIQ MLC 4.08719
42 4C1K PEP 4.19847
43 1W0O SIA 4.35967
44 1NX4 AKG 4.3956
45 1TB3 FMN 4.82955
46 3SI2 PBD 4.89297
47 1V7C HEY 5.12821
48 4LO6 SIA GAL 5.17711
49 3TFC PEP 5.17711
50 5KDX GAL TNR 5.44959
51 2ZJ1 ARJ 5.44959
52 2ZJ1 NAD 5.44959
53 3GJB AKG 5.95611
54 2AL2 PEP 6.26703
55 2AL2 2PG 6.26703
56 1EBG PAH 6.26703
57 4MIG G3F 6.26703
58 1SR9 KIV 6.8323
59 2REG CHT 7.38255
60 6DVH FMN 7.90191
61 4R9F BMA BMA 8.44687
62 4WHZ 3NL 8.44687
63 4A3R CIT 8.71935
64 3H22 B53 8.75421
65 2NX1 PEP 9.73783
66 2NX1 RP5 9.73783
67 2TPS TPS 10.5727
68 1U8V FAD 11.1717
69 4J25 OGA 13.1004
70 2Z77 NCA 13.6691
71 3CXO 3LR 14.7139
72 3CXO 1N5 14.7139
73 2DW7 SRT 18.2561
74 1R6W 164 18.6335
75 2HXT EHM 24.5232
76 2PP3 LGT 30.5177
77 1EC9 XYH 33.2425
78 3UXL CFI 34.0599
79 3R1Z ALA DGL 38.1471
80 3R1Z ALA GLU 38.1471
81 3DER ALA LYS 38.2609
82 1SJD NPG 41.6894
83 3HPF GAE 41.9619
84 2GGH NLQ 45.5041
85 3DGB MUC 49.5913
Pocket No.: 2; Query (leader) PDB : 3DG6; Ligand: MUC; 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: 3dg6.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DG6; Ligand: MUC; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 3dg6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5ABH YWN 2.17984
2 3WQQ NDP 2.17984
3 3WQQ IB3 2.17984
4 2PTZ PAH 4.35967
5 6FWH 5LD 6.59898
6 1EP2 FMN 14.1762
Pocket No.: 4; Query (leader) PDB : 3DG6; Ligand: MUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3dg6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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