Receptor
PDB id Resolution Class Description Source Keywords
2NLR 1.2 Å EC: 3.2.1.4 STREPTOMYCES LIVIDANS ENDOGLUCANASE (EC: 3.2.1.4) COMPLEX WI MODIFIED GLUCOSE TRIMER STREPTOMYCES LIVIDANS HYDROLASE (ENDOGLUCANASE) GLYCOSYL HYDROLASE FAMILY 12 ENDOGLUCANASE CELB2 GLYCOSYL-ENZYME INTERMEDIATE HYDROLA
Ref.: THE CRYSTAL STRUCTURE OF A 2-FLUOROCELLOTRIOSYL COM THE STREPTOMYCES LIVIDANS ENDOGLUCANASE CELB2 AT 1. RESOLUTION. BIOCHEMISTRY V. 38 4826 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G2F SHG BGC BGC B:1;
 Valid;
 none;
 submit data
672.577 n/a FC1C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NLR 1.2 Å EC: 3.2.1.4 STREPTOMYCES LIVIDANS ENDOGLUCANASE (EC: 3.2.1.4) COMPLEX WI MODIFIED GLUCOSE TRIMER STREPTOMYCES LIVIDANS HYDROLASE (ENDOGLUCANASE) GLYCOSYL HYDROLASE FAMILY 12 ENDOGLUCANASE CELB2 GLYCOSYL-ENZYME INTERMEDIATE HYDROLA
Ref.: THE CRYSTAL STRUCTURE OF A 2-FLUOROCELLOTRIOSYL COM THE STREPTOMYCES LIVIDANS ENDOGLUCANASE CELB2 AT 1. RESOLUTION. BIOCHEMISTRY V. 38 4826 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 2NLR - G2F SHG BGC BGC 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 43 families.
1 2NLR - G2F SHG BGC BGC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 2NLR - G2F SHG BGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G2F SHG BGC BGC; Similar ligands found: 115
No: Ligand ECFP6 Tc MDL keys Tc
1 G2F SHG BGC BGC 1 1
2 MAN BMA BMA BMA BMA BMA BMA 0.709091 0.891892
3 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.709091 0.891892
4 GLC GLC GLC GLC BGC GLC GLC 0.709091 0.891892
5 BGC GLA GAL 0.679245 0.891892
6 BGC BGC BGC BGC BGC BGC BGC BGC 0.609375 0.891892
7 G2F BGC BGC BGC BGC BGC 0.609375 0.973684
8 MAN BMA BMA 0.587302 0.846154
9 MGL GAL 0.586207 0.846154
10 BMA BMA BMA BMA GLA 0.565217 0.891892
11 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.565217 0.891892
12 BGC 5VQ GAL GLA 0.5625 0.804878
13 BGC GLC GLC GLC 0.550725 0.891892
14 GLC GLC GLC GLC GLC 0.550725 0.891892
15 GLC EDO GLC 0.548387 0.846154
16 BGC GAL GLA 0.546875 0.891892
17 GLC NBU GAL GLA 0.537313 0.767442
18 BGC XGP 0.53125 0.717391
19 FRU BGC BGC BGC 0.529412 0.785714
20 G2I 0.521739 0.702128
21 BGC OXZ BGC 0.521739 0.634615
22 G3I 0.521739 0.702128
23 BGC GAL NGA GAL 0.52 0.673469
24 NAG GAL 0.515152 0.673469
25 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.507463 0.868421
26 XYS GLC GLC 0.507042 0.868421
27 GLC BGC BGC 0.5 0.846154
28 GAL GLA 0.5 0.891892
29 BQZ 0.5 0.810811
30 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.493671 0.846154
31 BGC BGC BGC BGC BGC XYS 0.493671 0.846154
32 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.493671 0.846154
33 NAG GAL BGC GAL 0.493506 0.673469
34 GLC GLC G6D ADH GLC GLC 0.493151 0.66
35 SOR GLC GLC 0.492958 0.868421
36 BGC GLC GLC 0.492754 0.891892
37 BMA BMA BMA BMA 0.492754 0.842105
38 BGC GAL NGA 0.486486 0.673469
39 BGC GAL GLA NGA GAL 0.481481 0.673469
40 BGC GLC AGL GLC GLC GLC 0.481481 0.66
41 GLO GLC GLC GLC 0.480519 0.846154
42 LMU 0.478873 0.717391
43 DMU 0.478873 0.717391
44 LMT 0.478873 0.717391
45 UMQ 0.478873 0.717391
46 GPM GLC 0.477612 0.702128
47 BGC BGC BGC XYS BGC XYS 0.468354 0.846154
48 GLC GLC AC1 0.463768 0.680851
49 BGC BGC BGC XYS 0.461538 0.846154
50 BGC BGC BGC BGC BGC 0.461538 0.891892
51 BGC BGC BGC BGC BGC BGC 0.461538 0.891892
52 GLC BGC BGC BGC 0.461538 0.891892
53 BGC BGC BGC 0.461538 0.891892
54 BGC BGC BGC BGC BGC BGC BGC 0.461538 0.891892
55 6UZ 0.459459 0.767442
56 MBG GLA 0.459016 0.846154
57 GLO GLC GLC 0.454545 0.846154
58 NAG GAL GAL 0.453333 0.673469
59 BGC GAL GLA NGA 0.451219 0.673469
60 BGC GAL FUC GLA 0.448718 0.868421
61 FUC GAL 0.446154 0.842105
62 BGC 4MU BGC BGC BGC 0.445783 0.702128
63 QV4 0.443182 0.673469
64 GLC GLC GLC G6D ACI GLC GLC 0.443182 0.673469
65 MAN NAG GAL 0.441558 0.673469
66 AAO 0.43956 0.673469
67 ARE 0.43956 0.673469
68 BGC GAL FUC 0.438356 0.868421
69 GLC GAL BGC FUC 0.438356 0.868421
70 GAL NAG GAL 0.435897 0.673469
71 10M 0.434211 0.673469
72 BMA BMA BMA BMA GLA BMA GLA 0.433735 0.825
73 BGC 4MU BGC 0.433735 0.702128
74 GLF B8D 0.432836 0.875
75 BGC GAL NAG GAL 0.432099 0.673469
76 AHR FUB 0.431034 0.769231
77 RR7 GLC 0.430769 0.846154
78 BGC FUC GAL 0.430556 0.868421
79 GLC BGC FUC GAL 0.430556 0.868421
80 MGL SGC BGC BGC 0.43038 0.785714
81 CM5 0.43038 0.804878
82 BMA MAN NAG 0.43038 0.673469
83 BGC BGC BGC XYS XYS GAL GAL 0.430233 0.846154
84 TVD GAL 0.428571 0.622642
85 NAG GAL NAG GAL 0.426829 0.634615
86 NAG GAL NAG GAL NAG GAL 0.426829 0.622642
87 MA4 0.425 0.804878
88 GLC GLC AC1 GLC GLC GLC 0.423913 0.647059
89 GLC GLC G6D GLC ACI GLC 0.423913 0.647059
90 GLC GLC AGL HMC GLC 0.423913 0.647059
91 BMA MAN MAN 0.422535 0.891892
92 BGC BGC BGC XYS BGC XYS GAL 0.420455 0.846154
93 GCU BGC 0.42029 0.820513
94 BGC Z9D 0.41791 0.868421
95 MAN IPD MAN 0.41791 0.717391
96 5QP 0.41791 0.794872
97 BGC BGC XYS GAL 0.417722 0.846154
98 GTM BGC BGC 0.415584 0.785714
99 RZM 0.415385 0.632653
100 MBG GAL 0.415385 0.846154
101 MGL SGC 0.411765 0.785714
102 IPD MAN 0.411765 0.673913
103 GAL SO4 GAL 0.410959 0.611111
104 NAG BMA 0.410959 0.603774
105 GAL NAG GAL NAG GAL 0.409639 0.634615
106 BGC BGC BGC XYS BGC XYS XYS 0.409639 0.846154
107 A2G GAL 0.408451 0.673469
108 MAN MAN MAN GLC 0.405405 0.891892
109 LSE 0.402597 0.634615
110 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.402174 0.846154
111 BGC BGC BGC XYS BGC XYS XYS GAL 0.402174 0.846154
112 ABL 0.4 0.647059
113 CJX 0.4 0.66
114 MAN MAN 0.4 0.842105
115 GLC GLC FRU 0.4 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: G2F SHG BGC BGC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NLR; Ligand: G2F SHG BGC BGC; 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: 2nlr.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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