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Receptor
PDB id Resolution Class Description Source Keywords
2JEN 1.4 Å EC: 3.2.1.151 FAMILY 12 XYLOGLUCANASE FROM BACILLUS LICHENIFORMIS IN COMPLEX WITH LIGAND BACILLUS LICHENIFORMIS PLANT CELL WALL GLYCOSIDASE XYLOGLUCANASE HYDROLASE FAMILY 12
Ref.: CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURES OF TWO DISTINCT BACTERIAL XYLOGLUCANASES FROM FAMILIES GH5 AND GH12. J.BIOL.CHEM. V. 282 19177 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO A:1262;
A:1263;
Invalid;
Invalid;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
GLC GLC BGC XYS BGC XYS A:1267;
Valid;
none;
submit data n/a n/a n/a n/a
GLC GLC XYS XYS A:1273;
Valid;
none;
submit data n/a n/a n/a n/a
GOL A:1264;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1265;
A:1266;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JEN 1.4 Å EC: 3.2.1.151 FAMILY 12 XYLOGLUCANASE FROM BACILLUS LICHENIFORMIS IN COMPLEX WITH LIGAND BACILLUS LICHENIFORMIS PLANT CELL WALL GLYCOSIDASE XYLOGLUCANASE HYDROLASE FAMILY 12
Ref.: CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURES OF TWO DISTINCT BACTERIAL XYLOGLUCANASES FROM FAMILIES GH5 AND GH12. J.BIOL.CHEM. V. 282 19177 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2JEN - GLC GLC BGC XYS BGC XYS 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 8 families.
1 2JEN - GLC GLC BGC XYS BGC XYS 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 5 families.
1 2JEN - GLC GLC BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC BGC XYS BGC XYS; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC GLC XYS XYS; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JEN; Ligand: GLC GLC BGC XYS BGC XYS; Similar sites found with APoc: 84
This union binding pocket(no: 1) in the query (biounit: 2jen.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5H9Q TD2 None
2 3ZXE PGZ None
3 4JH6 FCN None
4 2Z77 HE7 1.43885
5 5GLT BGC GAL NAG GAL 1.53257
6 4M26 AKG 1.91571
7 3O2K DST 2.29885
8 5O0J GLC 2.29885
9 3G0I VPR 2.29885
10 1UA4 GLC 2.29885
11 1UA4 BGC 2.29885
12 3OZ2 OZ2 2.29885
13 3W9F I3P 2.30769
14 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.33463
15 3NNT DQA 2.53623
16 1ULE GLA GAL NAG 2.66667
17 2BHZ MAL 2.68199
18 4D1J DGJ 2.68199
19 5EO8 TFU 3.06513
20 4OUJ LBT 3.06513
21 6GG9 FMN 3.08642
22 4LED XXR 3.44828
23 1OFZ FUL 3.44828
24 1OFZ FUC 3.44828
25 5NLD LBT 3.59712
26 1OGX EQU 3.81679
27 1IXE CIT 3.83142
28 5UMW RBF 3.97351
29 5I0U DCY 4
30 5OO5 UUA 4.03226
31 4WVW SLT 4.16667
32 4D4U FUC GAL 4.21456
33 4D4U FUC GAL NAG 4.21456
34 4D52 GXL 4.21456
35 4D52 GIV 4.21456
36 2P7Q GG6 4.51128
37 5FI4 5XV 4.5977
38 2HIM ASN 4.5977
39 5TFZ 7BC 4.66667
40 1Y9Q MED 4.6875
41 5JSP DQY 4.97512
42 3ZGJ RMN 4.98084
43 3SCH TB6 5.05051
44 2QL9 CIT 5.15464
45 4CNO 9PY 5.15873
46 5T7I LAT NAG GAL 5.16129
47 1H4H XYP XYS XYP 5.26316
48 4ORR PE3 5.26316
49 2YNE YNE 5.36398
50 2YNE NHW 5.36398
51 6D61 4AA 5.64103
52 5FU3 BGC BGC BGC 5.66038
53 2YG2 FLC 5.81395
54 2YG2 S1P 5.81395
55 3SAO NKN 6.25
56 1BHX ASP PHE GLU GLU ILE 6.80272
57 3PUA OGA 6.89655
58 1P7T PYR 6.89655
59 4M1U A2G MBG 7.14286
60 5I8T LAC 7.26257
61 5HCF BGC 7.27969
62 5LXB 7A9 7.43802
63 5KD6 6C7 7.66284
64 4ZXA H8N 7.7381
65 3M3E GAL A2G NPO 8.07453
66 3GM5 CIT 8.1761
67 3VV1 GAL FUC 8.75
68 1LT3 GAL BGC 8.75
69 2BOS GLA GAL 8.82353
70 2BOS GLA GAL GLC 8.82353
71 3WG3 A2G GAL NAG FUC 9.55056
72 3I4X DST 9.57854
73 3VQ2 LP4 LP5 MYR DAO 9.72222
74 1A78 TDG 10.4478
75 4MA6 28E 14.0127
76 5ZFJ 9BF 15.4185
77 3AMN CBK 15.7088
78 3AMN CBI 15.7088
79 1KJ1 MAN 17.4312
80 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 42.1053
81 1UU6 BGC BGC BGC BGC 43.75
82 1LTI GAL 43.75
83 5GM5 CBI 47.7273
84 2BWA GLC BGC 48.0176
Pocket No.: 2; Query (leader) PDB : 2JEN; Ligand: GLC GLC XYS XYS; Similar sites found with APoc: 37
This union binding pocket(no: 2) in the query (biounit: 2jen.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4DR9 BB2 1.5625
2 4NBT NAD 1.66667
3 4GNC ASO 1.91571
4 4M0R 644 2.29885
5 4HK8 XYP XYP XYP XYP XYP XYP 2.6455
6 6H3O FAD 2.68199
7 2CSN CKI 2.68199
8 2GMV PEP 2.68199
9 4K26 NDP 3.06513
10 5TQZ GLC 3.33333
11 5XDT MB3 3.44828
12 4ZVV NAD 4.21456
13 4ZVV GN0 4.21456
14 4NBW NAD 4.28016
15 4MZU COA 4.5977
16 5JE8 NAD 4.98084
17 1VG8 GNP 6.28019
18 5LRT ADP 6.51341
19 6F9Q NAD 6.51341
20 1NFQ NAI 6.92308
21 5Z2M GTP 7.38636
22 4RF7 ARG 7.66284
23 2CFC NAD 8
24 3LVW GSH 8.42912
25 5WXU FLC 8.81226
26 6F7X MFU 10
27 1VA6 P2S 10.3448
28 1VA6 ADP 10.3448
29 2GOO NDG 13.7405
30 3AMN CBI 15.7088
31 3AMN CBK 15.7088
32 4J75 TYM 15.7088
33 1R6U TYM 17.2414
34 1R6T TYM 17.2414
35 1EU1 GLC 19.1571
36 1UU6 BGC BGC BGC BGC 43.75
37 5GM5 CBI 47.7273
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