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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(CC1...
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 293 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 250 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: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 7K2 7K3 1 1
2 MSX MAN 0.57377 0.708333
3 YDR 0.52381 0.723404
4 7K2 0.478261 0.934783
5 IFM MAN 0.43662 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5M77; Ligand: 7K2 7K3; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 5m77.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3R3V FAH 2.28758
2 3ETH ATP 2.53521
3 2Z49 AMG 2.5463
4 5GZK BGC 2.60304
5 3NV3 GAL NAG MAN 2.89855
6 1QPB TPP 3.05603
7 1QPB PYM 3.05603
8 1V97 MTE 3.05603
9 1XON PIL 3.15186
10 2X05 X05 3.22581
11 5HCF BGC 3.32103
12 3K4Z CBI 3.46021
13 1GA8 DEL 3.53698
14 1GA8 UPF 3.53698
15 5D3X 4IP 3.59281
16 3AGC RCC 3.62319
17 2Z7I 742 3.82353
18 4TVD BGC 3.90492
19 3VV1 GAL FUC 4.375
20 4WGF HX2 4.39024
21 2WQ4 SFU 4.48718
22 3IHG FAD 4.85981
23 1REQ DCA 5.26316
24 2WT9 NIO 5.53191
25 2D6M LBT 5.66038
26 5DG2 GAL GLC 7.40741
27 5HZ9 5M8 7.40741
28 2VYN NAD 7.55287
29 2YMZ LAT 7.69231
30 4CUB GAL NAG 9.28962
31 5GOP SUC 9.97831
32 4LED XXR 10.0746
33 5B5S BOG 10.1449
34 4CQE CQE 10.4317
35 2Y9G LAT 10.6667
36 2Y9G LBT 10.6667
37 3G08 FEE 14.1414
38 3QUZ QUV 14.1414
39 3V91 UPG 15.4639
40 4I4S LAT 17.8082
41 4RM0 FUC NDG GAL 18.038
42 4RM0 FUC NAG GAL 18.038
43 5FKP 6UL 31.8182
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