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Receptor
PDB id Resolution Class Description Source Keywords
1PX8 2.4 Å EC: 3.2.1.37 CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACT SACCHAROLYTICUM, A FAMILY 39 GLYCOSIDE HYDROLASE THERMOANAEROBACTERIUM SACCHAROLYTICUM FAMILY 39 GLYCOSIDE HYDROLASE XYLOSIDASE XYLAN XYLOSE COGLYCOSYL-ENZYME INTERMEDIATE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM, A FAMILY 39 HYDROLASE. J.MOL.BIOL. V. 335 155 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP A:601;
B:701;
Valid;
Valid;
none;
none;
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150.13 C5 H10 O5 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PX8 2.4 Å EC: 3.2.1.37 CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACT SACCHAROLYTICUM, A FAMILY 39 GLYCOSIDE HYDROLASE THERMOANAEROBACTERIUM SACCHAROLYTICUM FAMILY 39 GLYCOSIDE HYDROLASE XYLOSIDASE XYLAN XYLOSE COGLYCOSYL-ENZYME INTERMEDIATE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BETA-D-XYLOSIDASE FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM, A FAMILY 39 HYDROLASE. J.MOL.BIOL. V. 335 155 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1PX8 - XYP C5 H10 O5 C1[C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1PX8 - XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1PX8 - XYP C5 H10 O5 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PX8; Ligand: XYP; Similar sites found with APoc: 108
This union binding pocket(no: 1) in the query (biounit: 1px8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2VRQ XYP XYP AHR 0.806452
2 3OGV PTQ 1.2
3 4K2M O1G 1.3544
4 4BQ4 AAL GAL AAL GAL 1.4
5 5MGD GLC GAL GAL 1.4
6 5DKY NOJ 1.4
7 3LPF Z77 1.6
8 1YKI FMN 1.84332
9 3II1 BGC 2
10 3WV6 GAL BGC 2.02703
11 3WV6 GAL GLC 2.02703
12 4YHG CT3 2.05656
13 5OKG BG6 2.06186
14 5OKG XYT 2.06186
15 2OYL IDC 2.079
16 4PBG BGP 2.13675
17 4JIE BMA 2.2
18 4YZT BGC BGC BGC BGC 2.2
19 5Z4T BMA BMA 2.26537
20 5GNX BGC 2.35546
21 2E40 LGC 2.36559
22 4EK7 BGC 2.4
23 5E9G GLV 2.4
24 5YIF 8VR 2.52632
25 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 2.59067
26 1XC6 GAL 2.6
27 2Q8Z NUP 2.63158
28 2O9R TCB 2.65487
29 3GNP SOG 2.66393
30 4WTR BGC BGC 2.68456
31 6D50 GCB 2.8
32 2WXD E18 2.8
33 6D6W GCU 2.8
34 4CD6 IFM BMA 2.8125
35 1UWZ THU 2.94118
36 1KWK GAL 3
37 2Y24 XYP XYP GCV XYP 3.13316
38 1V08 NTZ 3.2
39 4JZX 476 3.31492
40 3UES DFU 3.34728
41 2LBD REA 3.37079
42 4E8C GAL 3.4
43 3RJY GLC 3.4375
44 1LGT BP3 3.7037
45 2PK3 GDD 3.73832
46 1UZ4 IFL 3.86364
47 5DV2 C5P 4.0201
48 2CET PGI 4.05983
49 5H4R CTT 4.29293
50 3NV3 GAL NAG MAN 4.34783
51 3AXX CBI 4.36681
52 2NSX IFM 4.42656
53 5VGS 9A7 4.4586
54 5VGS 9A4 4.4586
55 4UOZ GLA 4.8
56 5I79 CTT 4.93421
57 3PTQ NFG 4.9505
58 5UR6 8KM 4.97238
59 2E9L BGC 5.11727
60 2E9L PLM 5.11727
61 2E9L OLA 5.11727
62 2E0P CTT 5.2
63 1GZW GAL BGC 5.22388
64 2CER PGI 5.31697
65 3OCZ SRA 5.34351
66 4CU7 GIF 5.4
67 3F5K CE5 5.40541
68 4M82 NGB 5.51378
69 4UFH GIF 5.6
70 3VDB 149 5.8
71 3WUC GLC GAL 5.83942
72 1SLT NDG GAL 5.97015
73 1QW9 KHP 6
74 3CMJ SRT 6.02151
75 4XCB HY0 6.13027
76 4UCF GLA 6.2
77 2BVD ISX 6.36042
78 3AI0 PNW 6.3655
79 3ZQ9 NOY BGC 6.4
80 2VOT NHV 6.6
81 5FQD LVY 6.74487
82 5OA6 9PT 6.8
83 5NW7 9C2 7
84 3AI7 TPP 7.2
85 2X05 X05 7.6
86 3TTY GLA 7.6
87 5JE0 SAH 7.69231
88 5JE0 AZ8 7.69231
89 2JEQ GAL BGC BGC BGC XYS BGC XYS 7.8481
90 2D6M LBT 8.1761
91 5SVV FMN 8.75912
92 3AYS CT3 9.04255
93 5D9O BGC BGC BGC BGC 9.06516
94 3QVV A3P 9.15254
95 3QVV 3QV 9.15254
96 4PTX BGC 9.95575
97 3UG4 AHR 10.2
98 4D1J DGJ 11.4
99 6GL0 GLC BGC BGC 11.4804
100 3ZMR GLO BGC BGC XYS BGC XYS XYS 11.5789
101 5AYI BGC 11.8162
102 5TVM PUT 12.9412
103 1CEN BGC BGC 16.9096
104 5L9Z GUX 19.5373
105 5L77 GUX 20.8081
106 5BXA MAN 27.8846
107 6I6R H62 34.8
108 6I6X H6B 34.8
Pocket No.: 2; Query (leader) PDB : 1PX8; Ligand: XYP; 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: 1px8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PX8; Ligand: XYP; Similar sites found with APoc: 13
This union binding pocket(no: 3) in the query (biounit: 1px8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1EBG PAH 2.75229
2 3TIK JKF 2.86344
3 1H0H 2MD 3.27103
4 4JZB P2H 3.31492
5 3GZ8 APR 4.32099
6 1IS3 LAT 4.44444
7 4R5Z SIN 4.63215
8 5NFB 8VT 5.11364
9 4LA7 A1O 6.34441
10 2YMZ LAT 8.46154
11 3OJI PYV 8.99471
12 5HA0 LTD 9.61539
13 1ECE BGC BGC BGC BGC 20.1117
Pocket No.: 4; Query (leader) PDB : 1PX8; Ligand: XYP; 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: 1px8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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