Receptor
PDB id Resolution Class Description Source Keywords
1LK7 2 Å EC: 5.3.1.6 STRUCTURE OF D-RIBOSE-5-PHOSPHATE ISOMERASE FROM IN COMPLEX WITH PHOSPHO-ERYTHRONIC ACID PYROCOCCUS HORIKOSHII ALPHA/BETA STRUCTURE ISOMERASE
Ref.: A HYPERTHERMOSTABLE D-RIBOSE-5-PHOSPHATE ISOMERASE FROM PYROCOCCUS HORIKOSHII CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURE STRUCTURE V. 10 877 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:2001;
A:2005;
A:2009;
B:2002;
B:2006;
B:2010;
C:2003;
C:2007;
D:2004;
D:2008;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
DER A:1001;
B:1002;
C:1003;
D:1004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
216.083 C4 H9 O8 P C([C@...
NA A:2011;
C:2012;
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
1LK7 2 Å EC: 5.3.1.6 STRUCTURE OF D-RIBOSE-5-PHOSPHATE ISOMERASE FROM IN COMPLEX WITH PHOSPHO-ERYTHRONIC ACID PYROCOCCUS HORIKOSHII ALPHA/BETA STRUCTURE ISOMERASE
Ref.: A HYPERTHERMOSTABLE D-RIBOSE-5-PHOSPHATE ISOMERASE FROM PYROCOCCUS HORIKOSHII CHARACTERIZATION AND THREE-DIMENSIONAL STRUCTURE STRUCTURE V. 10 877 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1LK7 - DER C4 H9 O8 P C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1LK7 - DER C4 H9 O8 P C([C@@H]([....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1UJ6 Ki = 0.89 mM A5P C5 H13 O8 P C([C@H]([C....
2 1UJ5 Ki = 0.89 mM 5RP C5 H11 O8 P C([C@H]([C....
3 1M0S - CIT C6 H8 O7 C(C(=O)O)C....
4 1LK7 - DER C4 H9 O8 P C([C@@H]([....
5 3ENW - 5RP C5 H11 O8 P C([C@H]([C....
6 3ENV - ABF C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DER; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 DER 1 1
2 DEZ 1 1
3 PA5 0.638889 1
4 R10 0.638889 1
5 DXP 0.628571 0.861111
6 LG6 0.605263 1
7 6PG 0.605263 1
8 5RP 0.594595 0.891892
9 HMS 0.594595 0.891892
10 5SP 0.594595 0.891892
11 RUB 0.578947 0.888889
12 RES 0.578947 0.702128
13 XBP 0.578947 0.888889
14 3PG 0.575758 0.941176
15 4TP 0.567568 0.829268
16 HG3 0.53125 0.882353
17 M2P 0.5 0.914286
18 TG6 0.487805 0.916667
19 F6R 0.487805 0.916667
20 DG2 0.473684 0.911765
21 2FP 0.465116 0.942857
22 P6T 0.465116 0.942857
23 PAN 0.465116 0.702128
24 P6F 0.465116 0.942857
25 I22 0.465116 0.916667
26 SEP 0.459459 0.707317
27 E4P 0.459459 0.911765
28 KD0 0.454545 1
29 LX1 0.447368 0.861111
30 A5P 0.447368 0.837838
31 DX5 0.447368 0.837838
32 LXP 0.447368 0.837838
33 S6P 0.435897 0.861111
34 CAP 0.434783 0.918919
35 52L 0.434783 0.755556
36 1NT 0.42 1
37 TX4 0.414634 0.659574
38 R5P 0.414634 0.970588
39 R52 0.414634 0.970588
40 DG6 0.414634 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LK7; Ligand: DER; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1lk7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LK7; Ligand: DER; Similar sites found: 102
This union binding pocket(no: 2) in the query (biounit: 1lk7.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FWV SGA MAG FUC 0.007359 0.42642 None
2 2VOH CIT 0.01562 0.42469 None
3 2OUA AES 0.0125 0.41134 None
4 3JUC PCA 0.01632 0.40631 None
5 4IGH FMN 0.049 0.41301 1.74672
6 4IGH 1EA 0.049 0.41301 1.74672
7 4IGH ORO 0.049 0.41301 1.74672
8 5EOB 5QQ 0.04971 0.4058 1.74672
9 5UAV TFB 0.01146 0.42698 2.18341
10 5UAV NDP 0.01146 0.42698 2.18341
11 5N2I NAP 0.008388 0.41498 2.18341
12 1V5F FAD 0.01853 0.43584 2.62009
13 3BY9 SIN 0.0055 0.43293 2.62009
14 4D7E FAD 0.01913 0.41571 2.62009
15 3BRE C2E 0.009515 0.41377 2.62009
16 1YKJ FAD 0.04848 0.41269 2.62009
17 1YKJ PHB 0.04848 0.41269 2.62009
18 1N4W FAD 0.0394 0.4059 2.62009
19 4GK9 MAN BMA MAN MAN MAN 0.01582 0.4036 2.62009
20 4CNK FAD 0.03602 0.4036 2.62009
21 4LAE 1VM 0.02569 0.42029 2.99401
22 4LAE NAP 0.02569 0.42029 2.99401
23 4L50 D8X 0.00141 0.43852 3.05677
24 5H9I XAN 0.005191 0.43026 3.05677
25 1H6C NDP 0.01046 0.43003 3.05677
26 4RSL FAD 0.02136 0.41328 3.05677
27 1I36 NAP 0.01548 0.40543 3.05677
28 5THQ NDP 0.02315 0.40494 3.05677
29 1H6C SIN 0.03684 0.40401 3.05677
30 2WHX ADP 0.01107 0.4126 3.49345
31 5EZ7 FAD 0.02817 0.41002 3.49345
32 5J7X FAD 0.01818 0.41882 3.93013
33 1RSG FAD 0.02288 0.41734 3.93013
34 3AFN NAP 0.0202 0.41135 3.93013
35 2VCH UDP 0.01796 0.40792 3.93013
36 3B9Q MLI 0.003834 0.42996 4.36681
37 4BVA NDP 0.01138 0.42149 4.36681
38 4UP3 FAD 0.02267 0.41578 4.36681
39 2GAG FOA 0.04834 0.40282 4.36681
40 2GAG FAD 0.04984 0.40211 4.36681
41 5MBX SP5 0.02497 0.42378 4.80349
42 5MBX FAD 0.02497 0.42378 4.80349
43 3ZL8 ADP 0.009021 0.41172 4.80349
44 1REO FAD 0.01384 0.42582 5.24017
45 4BV6 FAD 0.02511 0.41439 5.24017
46 1YY5 FAD 0.02851 0.41405 5.24017
47 4ZG4 VO4 ADP 0.01188 0.40942 5.67686
48 2VVM FAD 0.03402 0.40669 5.67686
49 2Q2V NAD 0.0302 0.40034 5.67686
50 3NOJ PYR 0.01484 0.41815 6.11354
51 4W6Z 8ID 0.0219 0.41273 6.11354
52 1ZH8 NAP 0.0159 0.41051 6.11354
53 1D8C GLV 0.0224 0.40958 6.11354
54 1DXY NAD 0.01961 0.40472 6.11354
55 1G6H ADP 0.0206 0.40519 6.55022
56 3DNT ATP 0.01688 0.40361 6.55022
57 2NAD NAD 0.03192 0.4034 6.55022
58 1NE7 AGP 0.0002699 0.47417 6.9869
59 2B6N ALA PRO THR 0.004389 0.43368 6.9869
60 3WMX THR 0.01811 0.41156 6.9869
61 1QO8 FAD 0.03729 0.40633 6.9869
62 4REP FAD 0.03746 0.40363 6.9869
63 2WQ4 SFU 0.0152 0.40457 7.05128
64 1ORR NAD 0.02283 0.40867 7.20461
65 4OR7 NAP 0.009728 0.42101 7.27273
66 2AWN ADP 0.0156 0.41849 7.42358
67 5UAO FAD 0.04174 0.4003 7.42358
68 3BXF 13P 0.0006099 0.46271 7.86026
69 3BXF FBP 0.0007881 0.46185 7.86026
70 5G5G MCN 0.0205 0.41419 7.86026
71 4PPF FLC 0.02269 0.40856 7.86026
72 4K81 GTP 0.02031 0.40396 8.18713
73 2BKX F6R 0.001027 0.43669 8.29694
74 4A0M NAD 0.03381 0.40006 8.29694
75 3GDN FAD 0.04338 0.4029 8.73362
76 1UI0 URA 0.00393 0.42179 8.78049
77 4ZBY URA 0.00325 0.42278 9.27835
78 4N8I COA 0.0007259 0.47457 9.60699
79 3QV1 NAD 0.01493 0.40913 9.60699
80 5FJN FAD 0.0459 0.40162 9.60699
81 2D2F ADP 0.02295 0.40682 10.0437
82 1V8K ANP 0.01166 0.40044 10.0437
83 4M7V RAR 0.04282 0.40402 10.2857
84 1SB8 NAD 0.03122 0.41434 10.4803
85 1SB8 UD2 0.03541 0.41434 10.4803
86 5E5U MLI 0.0113 0.42516 10.917
87 2RI1 GLP 0.0007095 0.4147 10.917
88 3S5W FAD 0.01601 0.41411 10.917
89 5J60 FAD 0.03225 0.40789 10.917
90 5EXE 5SR 0.02807 0.40077 10.917
91 5UWS GNP 0.0223 0.40197 11.3537
92 1UPT GTP 0.007119 0.41838 11.6959
93 5EE5 GTP 0.0127 0.40637 11.6959
94 4EU7 COA 0.01423 0.42325 13.1004
95 4EU7 CIT 0.01488 0.42325 13.1004
96 2YYY NAP 0.01134 0.41906 13.5371
97 4Q9N NAI 0.03059 0.40006 15.2838
98 1FS5 TLA 0.0008987 0.43133 19.6507
99 3EB9 FLC 0.008373 0.40303 20.524
100 5DN9 NAD 0.01582 0.41668 22.7074
101 1N62 MCN 0.00564 0.44252 24.0964
102 2OG2 MLI 0.001949 0.44885 27.5109
Pocket No.: 3; Query (leader) PDB : 1LK7; Ligand: DER; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1lk7.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1LK7; Ligand: DER; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1lk7.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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