Receptor
PDB id Resolution Class Description Source Keywords
2XZJ 1.84 Å EC: 3.2.1.18 THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL MECHANISTIC INSIGHTS ASPERGILLUS FUMIGATUS HYDROLASE
Ref.: THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: ST AND MECHANISTIC INSIGHTS. J.BIOL.CHEM. V. 286 10783 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:501;
B:501;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
KFN A:503;
B:503;
Valid;
Valid;
none;
none;
submit data
250.203 C9 H14 O8 C1=C(...
NA A:500;
B:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XZI 1.45 Å EC: 3.2.1.18 THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL MECHANISTIC INSIGHTS ASPERGILLUS FUMIGATUS HYDROLASE
Ref.: THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: ST AND MECHANISTIC INSIGHTS. J.BIOL.CHEM. V. 286 10783 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 2XZI - KDM C9 H16 O9 C1[C@@H]([....
2 2XZJ - KFN C9 H14 O8 C1=C(O[C@H....
3 2XZK - K99 C9 H14 F2 O8 C([C@H]([C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 2XZI - KDM C9 H16 O9 C1[C@@H]([....
2 2XZJ - KFN C9 H14 O8 C1=C(O[C@H....
3 2XZK - K99 C9 H14 F2 O8 C([C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2XZI - KDM C9 H16 O9 C1[C@@H]([....
2 2XZJ - KFN C9 H14 O8 C1=C(O[C@H....
3 2XZK - K99 C9 H14 F2 O8 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KFN; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 KFN 1 1
2 DAN 0.542373 0.704545
3 GC9 0.52459 0.688889
4 4AM 0.444444 0.638298
5 9AM 0.415385 0.638298
Similar Ligands (3D)
Ligand no: 1; Ligand: KFN; Similar ligands found: 178
No: Ligand Similarity coefficient
1 KDM 0.9621
2 KDN 0.9552
3 NBG 0.9189
4 YO5 0.9160
5 ALA LEU 0.9152
6 IPT 0.9104
7 9GP 0.9097
8 CR1 0.9091
9 FWB 0.9056
10 4XY 0.9042
11 CSN 0.9034
12 TQU 0.9024
13 LP8 0.9023
14 ISJ 0.9021
15 S3P 0.9009
16 67Y 0.8980
17 G1P 0.8980
18 CRB 0.8973
19 A9O 0.8946
20 JR2 0.8945
21 GLY LEU 0.8944
22 1FF 0.8942
23 B4O 0.8940
24 GRX 0.8939
25 7NU 0.8932
26 T6Z 0.8931
27 QMS 0.8928
28 EYA 0.8927
29 4GP 0.8925
30 7I2 0.8921
31 6J9 0.8918
32 78P 0.8918
33 CUT 0.8916
34 EYM 0.8910
35 QZ8 0.8904
36 XQK 0.8892
37 7ZC 0.8888
38 25O 0.8886
39 56N 0.8885
40 NIY 0.8882
41 DKZ 0.8873
42 NQM 0.8870
43 ALN 0.8870
44 AM1 0.8850
45 N88 0.8848
46 1X7 0.8847
47 49A 0.8846
48 MEX 0.8843
49 NTF 0.8842
50 CG8 0.8842
51 CCV 0.8839
52 RUG 0.8838
53 W8G 0.8837
54 2UZ 0.8833
55 AKD 0.8829
56 JAA 0.8823
57 FXH 0.8822
58 CPW 0.8814
59 CKU 0.8813
60 Q5M 0.8812
61 OX2 0.8808
62 8GK 0.8808
63 5M8 0.8804
64 49N 0.8803
65 XFE 0.8801
66 I46 0.8800
67 2D3 0.8799
68 EXL 0.8798
69 9KH 0.8797
70 977 0.8796
71 S7B 0.8796
72 692 0.8796
73 M4B 0.8795
74 JAK 0.8790
75 DKX 0.8790
76 2LX 0.8790
77 78U 0.8789
78 BPS 0.8789
79 NWD 0.8787
80 GG5 0.8786
81 CE2 0.8786
82 A1Y 0.8784
83 29B 0.8782
84 OSB 0.8777
85 790 0.8777
86 1X8 0.8777
87 MIF 0.8776
88 AZC 0.8776
89 5OF 0.8775
90 IBM 0.8773
91 NCV 0.8770
92 TRF 0.8768
93 3N4 0.8765
94 TRP 0.8764
95 SYR 0.8759
96 3S6 0.8756
97 K3Y 0.8756
98 CJB 0.8753
99 M3Q 0.8753
100 P84 0.8750
101 HPT 0.8748
102 RVE 0.8745
103 OKM 0.8744
104 I59 0.8743
105 61O 0.8742
106 6NZ 0.8742
107 M02 0.8738
108 4AV 0.8733
109 KED 0.8728
110 8WZ 0.8727
111 5JT 0.8727
112 NLA 0.8726
113 96R 0.8725
114 7M6 0.8721
115 092 0.8718
116 3B4 0.8716
117 U1K 0.8715
118 6GP 0.8714
119 VYM 0.8714
120 X6P 0.8710
121 BN1 0.8700
122 XZ8 0.8700
123 5V5 0.8695
124 2DL 0.8695
125 SQP 0.8690
126 2J9 0.8688
127 ABJ 0.8684
128 5PX 0.8678
129 9F8 0.8676
130 MYI 0.8674
131 DF4 0.8674
132 JUO 0.8673
133 9UL 0.8671
134 C9E 0.8664
135 FNA 0.8661
136 SIA 0.8658
137 5V6 0.8649
138 3Y7 0.8649
139 IBC 0.8643
140 43P 0.8635
141 772 0.8634
142 MUR 0.8631
143 E3M 0.8627
144 GLS 0.8626
145 GI3 0.8625
146 P9I 0.8625
147 HKK 0.8625
148 GPM 0.8623
149 AC2 0.8621
150 SLB 0.8620
151 TQL 0.8608
152 IPD 0.8607
153 VJJ 0.8607
154 AIN 0.8604
155 TWB 0.8602
156 1U7 0.8601
157 57O 0.8597
158 LF5 0.8596
159 B2T 0.8593
160 NPL 0.8592
161 EQP 0.8590
162 NIR 0.8588
163 C4L 0.8587
164 A0O 0.8585
165 MOK 0.8584
166 2T4 0.8582
167 A7K 0.8581
168 RGG 0.8576
169 XEN 0.8572
170 EY7 0.8568
171 GL7 0.8566
172 6PB 0.8564
173 8WQ 0.8561
174 3IL 0.8559
175 0Q2 0.8550
176 512 0.8550
177 GL2 0.8544
178 DK4 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XZI; Ligand: KDM; 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: 2xzi.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xzi.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2xzi.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XZI; Ligand: KDM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2xzi.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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