Receptor
PDB id Resolution Class Description Source Keywords
4V20 1.5 Å EC: 3.2.1.91 THE 3-D STRUCTURE OF THE CELLOBIOHYDROLASE, CEL7A, FROM ASPE FUMIGATUS, DISACCHARIDE COMPLEX ASPERGILLUS FUMIGATUS HYDROLASE CELLULASE BIOFUELS CARBOHYDRATE-ACTIVE ENZYME STABILITY
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF THE CELLOBIOHYDR CEL7A FROM ASPERGILLUS FUMIGATUS AT 1.5 A RESOLUTIO ACTA CRYSTALLOGR.,SECT.F V. 71 114 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1442;
A:1441;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
ACT A:1445;
A:1444;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
NAG A:500;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
SHG BGC 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
4V20 1.5 Å EC: 3.2.1.91 THE 3-D STRUCTURE OF THE CELLOBIOHYDROLASE, CEL7A, FROM ASPE FUMIGATUS, DISACCHARIDE COMPLEX ASPERGILLUS FUMIGATUS HYDROLASE CELLULASE BIOFUELS CARBOHYDRATE-ACTIVE ENZYME STABILITY
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF THE CELLOBIOHYDR CEL7A FROM ASPERGILLUS FUMIGATUS AT 1.5 A RESOLUTIO ACTA CRYSTALLOGR.,SECT.F V. 71 114 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4V20 - SHG BGC n/a n/a
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1DY4 Ki = 44 uM SNP C16 H21 N O2 CC(C)NC[C@....
2 5CEL - BGC BGC BGC BGC n/a n/a
3 4D5J - XYP XYP XYP n/a n/a
4 4D5Q - XYP XYP n/a n/a
5 4D5V - XYP XYP XYP XYP n/a n/a
6 4D5I - XYP XYP XYP n/a n/a
7 4D5O - XYP XYP XYP XYP n/a n/a
8 4C4D - BGC BGC n/a n/a
9 3CEL - BGC BGC n/a n/a
10 6GRN - F9B C16 H21 N O4 c1ccc2c(c1....
11 4D5P - XYP XYP XYP XYP n/a n/a
12 6CEL - BGC BGC BGC BGC BGC n/a n/a
13 4C4C - BGC BGC BGC BGC BGC BGC BGC BGC BGC n/a n/a
14 7CEL - BGC BGC BGC BGC BGC BGC n/a n/a
15 4ZZU - SGC BGC n/a n/a
16 4ZZT - SGC SGC BGC n/a n/a
17 4ZZW Ki = 50 uM BGC BGC n/a n/a
18 4V20 - SHG BGC n/a n/a
19 1Z3V Kd = 77 uM BGC GAL n/a n/a
20 1H46 Ki = 270 uM RNP C16 H19 N O2 CC(C)N=C[C....
21 1Z3T Kd = 115 uM BGC BGC n/a n/a
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1DY4 Ki = 44 uM SNP C16 H21 N O2 CC(C)NC[C@....
2 5CEL - BGC BGC BGC BGC n/a n/a
3 4D5J - XYP XYP XYP n/a n/a
4 4D5Q - XYP XYP n/a n/a
5 4D5V - XYP XYP XYP XYP n/a n/a
6 4D5I - XYP XYP XYP n/a n/a
7 4D5O - XYP XYP XYP XYP n/a n/a
8 4C4D - BGC BGC n/a n/a
9 3CEL - BGC BGC n/a n/a
10 6GRN - F9B C16 H21 N O4 c1ccc2c(c1....
11 4D5P - XYP XYP XYP XYP n/a n/a
12 6CEL - BGC BGC BGC BGC BGC n/a n/a
13 4C4C - BGC BGC BGC BGC BGC BGC BGC BGC BGC n/a n/a
14 7CEL - BGC BGC BGC BGC BGC BGC n/a n/a
15 4ZZU - SGC BGC n/a n/a
16 4ZZT - SGC SGC BGC n/a n/a
17 4ZZW Ki = 50 uM BGC BGC n/a n/a
18 4V20 - SHG BGC n/a n/a
19 1Z3W - IDC C14 H22 N2 O9 c1cn2c(n1)....
20 1Z3V Kd = 77 uM BGC GAL n/a n/a
21 1H46 Ki = 270 uM RNP C16 H19 N O2 CC(C)N=C[C....
22 1Z3T Kd = 115 uM BGC BGC n/a n/a
23 4IPM - SGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SHG BGC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: SHG BGC; Similar ligands found: 83
No: Ligand Similarity coefficient
1 SHG BGC 1.0000
2 BGC BGC 0.9982
3 GLC GLC 0.9950
4 GLC BGC 0.9861
5 ABL 0.9792
6 GCS GCS 0.9702
7 BGC Z9D 0.9689
8 BGC GAL 0.9677
9 BMA BGC 0.9676
10 NOY BGC 0.9671
11 SGC BGC 0.9646
12 BGC OXZ 0.9577
13 MGL SGC 0.9574
14 9MR 0.9555
15 IFM BGC 0.9537
16 GLC GAL 0.9495
17 MGL GAL 0.9494
18 PA1 GCS 0.9481
19 BMA BMA 0.9416
20 BMA GAL 0.9411
21 IDC 0.9290
22 IFM BMA 0.9223
23 ZT2 0.9138
24 ISX 0.9135
25 GAL NGT 0.9072
26 NGT GAL 0.9072
27 MAN BMA 0.9068
28 SA0 0.9053
29 GCU BGC 0.9024
30 GAL NOK 0.9010
31 NOK GAL 0.9010
32 BEM BEM 0.9001
33 FRU GAL 0.9001
34 BNY 0.8995
35 XYP XYP 0.8990
36 BEM LGU 0.8976
37 6EN 0.8976
38 MVL BMA 0.8961
39 BMA MVL 0.8954
40 MYG 0.8950
41 BMA IFM 0.8914
42 GLO BGC 0.8906
43 NAG BDP 0.8881
44 FHI 0.8878
45 MAV BEM 0.8847
46 NAG GAL 0.8846
47 FUC GAL 0.8833
48 NAG GCD 0.8825
49 GAL GC2 0.8812
50 NFG 0.8805
51 BGC XGP 0.8797
52 LGU MAW 0.8790
53 IXM 0.8776
54 Z15 0.8769
55 683 0.8763
56 XYS XYS 0.8747
57 NAG GC4 0.8739
58 GS1 GS1 0.8737
59 CC6 0.8733
60 NAG GAD 0.8719
61 K3Q 7CV 0.8707
62 Z57 0.8707
63 NDG GAL 0.8705
64 581 0.8698
65 6BK 0.8697
66 MHB 0.8683
67 36K 0.8660
68 1FL 0.8657
69 MHD GAL 0.8641
70 XDL XYP 0.8639
71 GAL FUC 0.8627
72 MMA XYP 0.8621
73 M3W 0.8606
74 U19 0.8570
75 LAM 0.8567
76 IW1 0.8564
77 NE1 0.8554
78 041 0.8553
79 PCQ 0.8552
80 BQZ 0.8545
81 6QT 0.8540
82 2QV 0.8539
83 IDD 0.8527
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback