Receptor
PDB id Resolution Class Description Source Keywords
1QW8 1.8 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A FAMILY 51 ALPHA-L-ARABINOFURANOSIDASE COMPLEX WITH ARA-ALPHA(1,3)-XYL GEOBACILLUS STEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURE AND SNAPSHOTS ALONG THE REACTION OF A FAMILY 51 ALPHA-L-ARABINOFURANOSIDASE EMBO J. V. 22 4922 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP AHR D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QW9 1.2 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A FAMILY 51 ALPHA-L-ARABINOFURANOSIDASE COMPLEX WITH 4-NITROPHENYL-ARA GEOBACILLUS STEAROTHERMOPHILUS HYDROLASE
Ref.: CRYSTAL STRUCTURE AND SNAPSHOTS ALONG THE REACTION OF A FAMILY 51 ALPHA-L-ARABINOFURANOSIDASE EMBO J. V. 22 4922 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1QW8 - XYP AHR n/a n/a
2 1QW9 - KHP C11 H13 N O7 c1cc(ccc1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1QW8 - XYP AHR n/a n/a
2 1QW9 - KHP C11 H13 N O7 c1cc(ccc1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1QW8 - XYP AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP AHR; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP AHR; Similar ligands found: 149
No: Ligand Similarity coefficient
1 XYP AHR 1.0000
2 XYP XYP 0.9383
3 ARJ 0.9302
4 NOC 0.9302
5 EZN 0.9280
6 XYS XYS 0.9245
7 CFE 0.9168
8 XDL XYP 0.9164
9 2GD 0.9143
10 5AD 0.9141
11 PRH 0.9131
12 ADN 0.9120
13 1DA 0.9116
14 NOS 0.9115
15 5CD 0.9105
16 3L1 0.9104
17 A4D 0.9095
18 4GU 0.9092
19 DBM 0.9090
20 XYS XYP 0.9074
21 6J3 0.9068
22 A4G 0.9040
23 7VF 0.9039
24 UA2 0.9035
25 6MD 0.9025
26 EKH 0.9007
27 FTU 0.8995
28 XYP XDN 0.8983
29 XYA 0.8983
30 XDN XYP 0.8969
31 ID8 0.8963
32 XIL 0.8961
33 IMH 0.8960
34 5ID 0.8958
35 RPP 0.8953
36 2FA 0.8952
37 3D8 0.8947
38 GMP 0.8936
39 3AD 0.8931
40 XYP XIF 0.8924
41 XIF XYP 0.8923
42 TLF 0.8914
43 5NB 0.8913
44 4UO 0.8912
45 MTP 0.8907
46 FM2 0.8899
47 5N5 0.8896
48 GZV 0.8893
49 CTN 0.8890
50 3D1 0.8888
51 II4 0.8875
52 7D7 0.8870
53 5F1 0.8861
54 5FD 0.8860
55 DCF 0.8855
56 5I5 0.8849
57 IFM BGC 0.8845
58 MTA 0.8838
59 HPR 0.8837
60 XYS AZI XYS 0.8832
61 DCZ 0.8832
62 5E4 0.8830
63 MG7 0.8822
64 3RP 0.8818
65 AFX 0.8817
66 TIZ 0.8816
67 MDR 0.8814
68 IMG 0.8812
69 TBN 0.8806
70 P2L 0.8805
71 AV4 0.8804
72 BGC OXZ 0.8803
73 FMB 0.8802
74 C0H 0.8800
75 XYP XYS 0.8796
76 DBS 0.8794
77 NEO 0.8791
78 GNG 0.8790
79 145 0.8789
80 AD3 0.8786
81 CL9 0.8786
82 WG8 0.8785
83 Y3J 0.8781
84 7CI 0.8772
85 ZYW 0.8771
86 NFL 0.8769
87 THM 0.8761
88 DSQ 0.8759
89 9MR 0.8757
90 HO4 0.8756
91 XYP XIM 0.8756
92 C4F 0.8756
93 JMS 0.8752
94 A 0.8747
95 E9S 0.8737
96 KUP 0.8732
97 Q2S 0.8731
98 MZR 0.8722
99 TIA 0.8718
100 SA0 0.8717
101 JO8 0.8713
102 B4L 0.8712
103 YE6 0.8711
104 NNR 0.8706
105 FMC 0.8704
106 UKV 0.8703
107 AQ1 0.8702
108 CC5 0.8700
109 3Y7 0.8690
110 LI4 0.8686
111 THU 0.8681
112 C2M 0.8675
113 NIR 0.8665
114 L5D 0.8660
115 CX5 0.8659
116 XXX 0.8657
117 H52 0.8655
118 DS8 0.8653
119 8OX 0.8651
120 1Q4 0.8643
121 NAL 0.8640
122 6GR 0.8638
123 URI 0.8638
124 WCU 0.8636
125 TCL 0.8635
126 3WO 0.8630
127 3WN 0.8630
128 5CK 0.8622
129 BGC GLC 0.8621
130 NXB 0.8621
131 CDY 0.8619
132 AHU 0.8618
133 GXD 0.8615
134 PUR 0.8610
135 LVB 0.8605
136 EAJ 0.8604
137 LOX XYP 0.8603
138 IFM BMA 0.8600
139 ZEA 0.8596
140 4WF 0.8595
141 MBP 0.8589
142 B86 0.8587
143 FPL 0.8569
144 EXX 0.8563
145 PA1 GCS 0.8562
146 GA2 0.8548
147 ZAS 0.8548
148 A4V 0.8543
149 YUG 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QW9; Ligand: KHP; 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: 1qw9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QW9; Ligand: KHP; 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: 1qw9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QW9; Ligand: KHP; 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: 1qw9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QW9; Ligand: KHP; 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: 1qw9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QW9; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1qw9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QW9; Ligand: KHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1qw9.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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