Receptor
PDB id Resolution Class Description Source Keywords
2VX7 1.8 Å EC: 3.2.1.- CELLVIBRIO JAPONICUS MANNANASE CJMAN26C MANNOBIOSE-BOUND FOR CELLVIBRIO JAPONICUS CELLVIBRIO JAPONICUS MANNANASE CJMAN26C HYDROLASE
Ref.: THE CELLVIBRIO JAPONICUS MANNANASE CJMAN26C DISPLAY UNIQUE EXO-MODE OF ACTION THAT IS CONFERRED BY SUBT CHANGES TO THE DISTAL REGION OF THE ACTIVE SITE. J.BIOL.CHEM. V. 283 34403 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:1421;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
BMA BMA B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CD5 1.1 Å EC: 3.2.1.- THE STRUCTURE OF GH26 BETA-MANNANASE CJMAN26C FROM CELLVIBRI JAPONICUS IN COMPLEX WITH MANMIM CELLVIBRIO JAPONICUS HYDROLASE BETA-MANNOSIDASE MANNOSIDASE GLYCOSIDE HYDROLASGH113 CAZY ENZYME-CARBOHYDRATE INTERACTION MANNOSE GLYCINHIBITION QUANTUM MECHANICS BIOCATALYSIS CONFORMATION
Ref.: COMBINED INHIBITOR FREE-ENERGY LANDSCAPE AND STRUCT ANALYSIS REPORTS ON THE MANNOSIDASE CONFORMATIONAL COORDINATE. ANGEW.CHEM.INT.ED.ENGL. V. 53 1087 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2VX7 - BMA BMA n/a n/a
2 2VX6 - BMA BMA BMA BMA GLA n/a n/a
3 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
4 4CD4 Ki = 263 nM BMA IFM n/a n/a
5 4CD5 Ki = 194 nM BMA MVL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2VX7 - BMA BMA n/a n/a
2 2VX6 - BMA BMA BMA BMA GLA n/a n/a
3 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
4 4CD4 Ki = 263 nM BMA IFM n/a n/a
5 4CD5 Ki = 194 nM BMA MVL n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ODZ - MAN BMA n/a n/a
2 1GVY - MBF NIN BMA BMA n/a n/a
3 1GW1 - NIN MBF BMA BMA n/a n/a
4 2WHM - MAN BMA n/a n/a
5 2VX7 - BMA BMA n/a n/a
6 2VX6 - BMA BMA BMA BMA GLA n/a n/a
7 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
8 4CD4 Ki = 263 nM BMA IFM n/a n/a
9 4CD5 Ki = 194 nM BMA MVL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA BMA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA BMA; Similar ligands found: 82
No: Ligand Similarity coefficient
1 BMA BMA 1.0000
2 MAN BMA 0.9876
3 BGC BMA 0.9658
4 BMA IFM 0.9657
5 IFM BMA 0.9657
6 BMA BGC 0.9626
7 FRU BMA 0.9569
8 BEM BEM 0.9528
9 BGC BGC 0.9513
10 BEM LGU 0.9450
11 IFM BGC 0.9443
12 GLC BGC 0.9437
13 SHG BGC 0.9416
14 GCS GCS 0.9399
15 ABL 0.9388
16 BMA GAL 0.9343
17 9MR 0.9319
18 PA1 GCS 0.9294
19 MVL BMA 0.9274
20 BMA MVL 0.9267
21 NOY BGC 0.9240
22 BGC GAL 0.9237
23 SGC BGC 0.9231
24 BGC OXZ 0.9204
25 MAV BEM 0.9193
26 LGU MAW 0.9176
27 MGL SGC 0.9175
28 GLC GLC 0.9164
29 GLC GAL 0.9105
30 BGC Z9D 0.9105
31 MGL GAL 0.9065
32 MYG 0.8955
33 FRU GAL 0.8943
34 IDC 0.8921
35 GLA GLA 0.8893
36 BGC GLC 0.8892
37 RR7 GLC 0.8853
38 XMM 0.8836
39 ISX 0.8834
40 6EN 0.8818
41 BNY 0.8785
42 ADN 0.8761
43 GLO BGC 0.8752
44 CZ0 0.8745
45 SGC GLC 0.8711
46 7D1 MAN 0.8709
47 GCU BGC 0.8706
48 UL1 0.8697
49 TBN 0.8683
50 FMB 0.8681
51 GAL FUC 0.8677
52 XYA 0.8666
53 NAB 0.8660
54 NFG 0.8651
55 AFX 0.8625
56 XYP XYP 0.8624
57 MA1 GLC 0.8615
58 MAN MNM 0.8613
59 FM1 0.8613
60 MAN IFM 0.8607
61 GLC IFM 0.8607
62 JRO 0.8606
63 MTA 0.8605
64 LUM 0.8603
65 RAB 0.8602
66 NOS 0.8598
67 GAL GLA 0.8598
68 NGA GAL 0.8588
69 FMC 0.8581
70 113 0.8573
71 GAT 0.8572
72 PNA 0.8570
73 GAL NGT 0.8554
74 GAL GC2 0.8552
75 UAY 0.8540
76 XYS XYS 0.8540
77 SGP 0.8535
78 IMH 0.8522
79 9CE 0.8519
80 RZM 0.8517
81 5ID 0.8507
82 TAL 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CD5; Ligand: BMA MVL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4cd5.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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