Receptor
PDB id Resolution Class Description Source Keywords
5M77 1.46 Å EC: 7.-.-.- A GH76 FAMILY ENZYME STRUCTURE BACILLUS CIRCULANS GLYCOSIDE HYDROLASE COMPLEX MANNANASE S-LINKED POLYSACCHAHYDROLASE
Ref.: AN ATYPICAL INTERACTION EXPLAINS THE HIGH-AFFINITY NON-HYDROLYZABLE S-LINKED 1,6-ALPHA-MANNANASE INHIB CHEM. COMMUN. (CAMB.) V. 53 9238 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:603;
A:606;
B:605;
A:604;
B:602;
A:601;
B:604;
A:603;
B:606;
B:609;
A:602;
B:601;
A:605;
B:608;
B:607;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
7K2 7K3 A:607;
B:610;
Valid;
Valid;
none;
none;
Kd = 24.7 nM
504.598 n/a S(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5M77 1.46 Å EC: 7.-.-.- A GH76 FAMILY ENZYME STRUCTURE BACILLUS CIRCULANS GLYCOSIDE HYDROLASE COMPLEX MANNANASE S-LINKED POLYSACCHAHYDROLASE
Ref.: AN ATYPICAL INTERACTION EXPLAINS THE HIGH-AFFINITY NON-HYDROLYZABLE S-LINKED 1,6-ALPHA-MANNANASE INHIB CHEM. COMMUN. (CAMB.) V. 53 9238 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5M77 Kd = 24.7 nM 7K2 7K3 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5M77 Kd = 24.7 nM 7K2 7K3 n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D4B - MSX MAN n/a n/a
2 5N0F Kd = 0.9 uM 7K2 C12 H23 N O7 S C1[C@@H]([....
3 4D4C Ki = 386.9 uM DMJ MAN n/a n/a
4 4D4D Kd = 1.12 uM IFM MAN n/a n/a
5 5AGD - BMA MAN MAN MAN MAN n/a n/a
6 5M77 Kd = 24.7 nM 7K2 7K3 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7K2 7K3; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 7K2 7K3 1 1
2 MSX MAN 0.539683 0.73913
3 YDR 0.515625 0.755556
4 7K2 0.471429 0.933333
5 G0S LYS PRO LEU NH2 0.409836 0.673913
6 IFM MAN 0.405405 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5M77; Ligand: 7K2 7K3; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 5m77.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R3V FAH 0.009792 0.41656 2.28758
2 3ETH ATP 0.01056 0.41021 2.53521
3 1QPB TPP 0.008838 0.42167 3.05603
4 1QPB PYM 0.009203 0.42081 3.05603
5 1XON PIL 0.02496 0.40085 3.15186
6 2X05 X05 0.0071 0.40862 3.22581
7 3AGC RCC 0.01958 0.40475 3.62319
8 3IHG FAD 0.02308 0.40379 4.85981
9 1REQ DCA 0.042 0.40364 5.26316
10 5HZ9 5M8 0.02248 0.4031 7.40741
11 2VYN NAD 0.02112 0.4057 7.55287
12 5B5S BOG 0.01719 0.41261 10.1449
13 3O9L LPN 0.03916 0.40352 10.241
14 4CQE CQE 0.007579 0.43605 10.4317
15 3G08 FEE 0.02572 0.4217 14.1414
16 3QUZ QUV 0.04358 0.40815 14.1414
17 5FKP 6UL 0.01706 0.40901 31.8182
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