Receptor
PDB id Resolution Class Description Source Keywords
2FLI 1.8 Å EC: 5.1.3.- THE CRYSTAL STRUCTURE OF D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE FROM STREPTOCOCUS PYOGENES COMPLEXED WITH D-XYLITOL 5- P HOSPHATE STREPTOCOCCUS PYOGENES D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE (BETA/ALPHA)8-BARREL D-XYLITOL 5-PHOSPHATE ISOMERASE
Ref.: D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE: FUNCTIONAL AND STRUCTURAL RELATIONSHIPS TO MEMBERS OF THE RIBULOSE-PHOSPHATE BINDING (BETA/ALPHA)(8)-BARREL SUPERFAMILY(,). BIOCHEMISTRY V. 45 2493 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DX5 A:1901;
B:1902;
C:1903;
D:1904;
E:1905;
F:1906;
G:1911;
H:1912;
I:1913;
J:1914;
K:1915;
L:1916;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
232.126 C5 H13 O8 P C([C@...
ZN A:1981;
B:1982;
C:1983;
D:1984;
E:1985;
F:1986;
G:1991;
H:1992;
I:1993;
J:1994;
K:1995;
L:1996;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FLI 1.8 Å EC: 5.1.3.- THE CRYSTAL STRUCTURE OF D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE FROM STREPTOCOCUS PYOGENES COMPLEXED WITH D-XYLITOL 5- P HOSPHATE STREPTOCOCCUS PYOGENES D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE (BETA/ALPHA)8-BARREL D-XYLITOL 5-PHOSPHATE ISOMERASE
Ref.: D-RIBULOSE 5-PHOSPHATE 3-EPIMERASE: FUNCTIONAL AND STRUCTURAL RELATIONSHIPS TO MEMBERS OF THE RIBULOSE-PHOSPHATE BINDING (BETA/ALPHA)(8)-BARREL SUPERFAMILY(,). BIOCHEMISTRY V. 45 2493 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2FLI - DX5 C5 H13 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 2FLI - DX5 C5 H13 O8 P C([C@@H]([....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
3 3CTL - S6P C6 H15 O9 P C([C@@H]([....
4 2FLI - DX5 C5 H13 O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DX5; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 A5P 1 1
2 DX5 1 1
3 LXP 1 1
4 S6P 0.71875 0.970588
5 M2P 0.666667 0.914286
6 DG6 0.628571 0.971429
7 LX1 0.588235 0.861111
8 M6R 0.552632 0.785714
9 AGP 0.552632 0.785714
10 HG3 0.548387 0.828571
11 TX4 0.540541 0.659574
12 R52 0.540541 0.861111
13 R5P 0.540541 0.861111
14 PA5 0.526316 0.837838
15 R10 0.526316 0.837838
16 G6Q 0.512821 0.861111
17 52L 0.511628 0.680851
18 6PG 0.5 0.837838
19 TG6 0.5 0.916667
20 LG6 0.5 0.837838
21 F6R 0.5 0.916667
22 G3P 0.484848 0.911765
23 1GP 0.484848 0.911765
24 I22 0.47619 0.916667
25 PAN 0.47619 0.632653
26 P6T 0.47619 0.888889
27 2FP 0.47619 0.888889
28 P6F 0.47619 0.888889
29 E4P 0.472222 0.805556
30 KD0 0.465116 0.837838
31 5SP 0.45 0.944444
32 5RP 0.45 0.944444
33 HMS 0.45 0.944444
34 DER 0.447368 0.837838
35 DEZ 0.447368 0.837838
36 H4P 0.444444 0.767442
37 DXP 0.435897 0.763158
38 RB0 0.428571 0.647059
39 1NT 0.428571 0.837838
40 XYL 0.428571 0.647059
41 4TP 0.425 0.704545
42 LRY 0.416667 0.673913
43 PAI 0.408163 0.711111
44 XBP 0.404762 0.888889
45 RES 0.404762 0.632653
46 RUB 0.404762 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2fli.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: 168
This union binding pocket(no: 3) in the query (biounit: 2fli.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.01506 0.42196 None
2 4OCT AKG 0.00693 0.42322 1.36364
3 4BHL ARG 0.01644 0.40583 1.36364
4 2VEG PMM 0.005442 0.43305 1.81818
5 4YMZ 13P 0.0004612 0.48664 2.27273
6 1OVD FMN 0.0003754 0.47293 2.27273
7 2YPI PGA 0.001015 0.46391 2.27273
8 4ORM ORO 0.004874 0.44394 2.27273
9 4ORM FMN 0.004874 0.44394 2.27273
10 4ORM 2V6 0.004874 0.44394 2.27273
11 2HFU MEV 0.02821 0.4031 2.27273
12 4AF0 IMP 0.0003386 0.45429 2.72727
13 2Q8Z NUP 0.0001919 0.44983 2.72727
14 1TB3 FMN 0.001649 0.43663 2.72727
15 3TAO PGH 0.0005705 0.40685 2.72727
16 2GOU FMN 0.00982 0.40656 2.72727
17 1TRD PGH 0.0009419 0.40647 2.72727
18 3GLC R5P 0.01388 0.40453 2.72727
19 1BC5 ACE ASN TRP GLU THR PHE 0.02387 0.40078 2.72727
20 5EYW PGA 0.0005813 0.48162 3.18182
21 2BTM PGA 0.0006425 0.47945 3.18182
22 1SW0 PGA 0.0007151 0.46588 3.18182
23 2Q3O FMN 0.001314 0.42123 3.18182
24 4YSW URC 0.01499 0.41726 3.18182
25 5CSS G3P 0.0002914 0.40842 3.18182
26 1Z4O GL1 0.009595 0.40831 3.18182
27 4K37 SAM 0.009061 0.40576 3.18182
28 1RBL CAP 0.00492 0.40552 3.18182
29 2YGM GLA NAG GAL FUC 0.01973 0.40496 3.18182
30 3LXI CAM 0.02933 0.40058 3.18182
31 1NB9 ADP 0.00744 0.41632 3.40136
32 1NB9 RBF 0.00744 0.41632 3.40136
33 1PS9 FMN 0.0003156 0.45557 3.63636
34 1LYX PGA 0.0001482 0.44001 3.63636
35 2OEM 1AE 0.0001249 0.43076 3.63636
36 3VKC FPQ 0.001125 0.43051 3.63636
37 3UWV 2PG 0.002242 0.41803 3.63636
38 4QDF 30Q 0.004904 0.4179 3.63636
39 1W3T 3GR 0.01056 0.41487 3.63636
40 1VHN FMN 0.00853 0.41463 3.63636
41 4JIQ FMN 0.005464 0.4084 3.63636
42 3AXK NDP 0.009111 0.40566 3.87597
43 4NAE 1GP 0.0001741 0.52006 4.09091
44 4EWN 0VR 0.00003999 0.51272 4.09091
45 2Z6I FMN 0.00005349 0.47741 4.09091
46 1GVF PGH 0.002127 0.45903 4.09091
47 1UJP CIT 0.0006951 0.45183 4.09091
48 4IGH 1EA 0.003746 0.45003 4.09091
49 4IGH ORO 0.003746 0.45003 4.09091
50 4IGH FMN 0.003746 0.45003 4.09091
51 2RDT 2RD 0.003802 0.4222 4.09091
52 2RDT FMN 0.00269 0.42154 4.09091
53 3ZGJ RMN 0.01362 0.41755 4.09091
54 2Y88 2ER 0.00002703 0.41731 4.09091
55 1OX5 1PR 0.0007705 0.404 4.09091
56 1Q6O LG6 0.00002421 0.47709 4.16667
57 1WQ1 AF3 0.03099 0.40173 4.21687
58 1KBJ FMN 0.000807 0.44383 4.54545
59 1ZOS MTM 0.005472 0.41574 4.54545
60 4CW5 FMN 0.001557 0.41499 4.54545
61 3IP5 ALA 0.0181 0.4138 4.54545
62 1KC7 PPR 0.0178 0.41372 4.54545
63 4TO8 FLC 0.01878 0.41052 4.54545
64 4B6C B5U 0.012 0.4002 4.59184
65 2X1L ADN 0.01744 0.40359 4.77099
66 3B0P FMN 0.00002805 0.51971 5
67 1MO9 KPC 0.02596 0.41745 5
68 2V68 CAP 0.005402 0.40532 5
69 2V63 CAP 0.004736 0.40447 5
70 2VDH CAP 0.004738 0.40446 5
71 2V67 CAP 0.005685 0.40115 5
72 1UZH CAP 0.006049 0.40002 5
73 1SN0 T44 0.01293 0.40601 5.38462
74 3W9Z FMN 0.0005765 0.45096 5.45455
75 3KRU FMN 0.0009455 0.44995 5.45455
76 3ESS 18N 0.01313 0.41664 5.45455
77 1AL8 FMN 0.002017 0.40878 5.45455
78 1LES GLC FRU 0.01758 0.40139 5.76923
79 4WCX MET 0.001499 0.45175 5.90909
80 3GAY P6T 0.00191 0.42455 5.90909
81 1FQK ALF 0.01584 0.41624 5.90909
82 4RJD TFP 0.02739 0.40311 6.06061
83 1C3M MAN MAN 0.005861 0.4244 6.12245
84 4N7C AEF 0.01986 0.40503 6.25
85 4D4U FUC NDG GAL FUC 0.006358 0.43253 6.36364
86 1UZD CAP 0.005182 0.40283 6.71642
87 1QDS PGA 0.0005835 0.47563 6.81818
88 2GJN NIS 0.00002481 0.45393 6.81818
89 2GJN FMN 0.00008799 0.44648 6.81818
90 4HKP 16B 0.0009246 0.44205 6.81818
91 4HKP TKW 0.0004835 0.43917 6.81818
92 4A3U FMN 0.002303 0.41754 6.81818
93 1IR2 CAP 0.005065 0.40325 7.14286
94 3QH2 3NM 0.00001294 0.57269 7.27273
95 4Q4K FMN 0.00005914 0.49219 7.27273
96 1ZGS XMM 0.01517 0.41338 7.27273
97 2F5X ASP 0.01903 0.41134 7.27273
98 2WA4 069 0.01308 0.40576 7.27273
99 4TXE 38F 0.01211 0.40001 7.27273
100 3MJY FMN 0.0004048 0.46608 7.72727
101 3MJY IJZ 0.0004048 0.46608 7.72727
102 2FJK 13P 0.000937 0.46561 7.72727
103 3MI2 PFU 0.001856 0.45339 7.72727
104 3WQD PLP 999 0.009778 0.40078 7.72727
105 3HF3 FMN 0.002717 0.41635 7.73639
106 3EXS 5RP 0.000005209 0.57543 8.18182
107 1F8I GLV 0.02452 0.40999 8.18182
108 4M5P FMN 0.005992 0.4002 8.18182
109 2F6U CIT 0.001061 0.47454 8.63636
110 2QCD U5P 0.0001061 0.46775 8.63636
111 3KDN CAP 0.00572 0.43006 8.63636
112 3BW2 FMN 0.00006115 0.4287 8.63636
113 1NJJ ORX 0.001905 0.42097 8.63636
114 1EIX BMQ 0.0008103 0.44887 9.09091
115 2NLI LAC 0.006446 0.40821 9.09091
116 2NLI FMN 0.005271 0.40593 9.09091
117 2NVA PL2 0.001717 0.40058 9.09091
118 1P0Z FLC 0.02564 0.40401 9.16031
119 5K8S CMP 0.009897 0.40054 9.45946
120 1EYE PMM 0.01699 0.40032 9.54545
121 4UTU LRY 0.00005301 0.5132 9.60699
122 4UTW RFW 0.00002804 0.47287 9.60699
123 4WZH FMN 0.0004551 0.45443 10
124 1ICP FMN 0.002527 0.42719 10
125 4L6H HCS 0.01212 0.4228 10
126 3C56 PH4 0.002906 0.41679 10
127 4YSX FAD 0.0184 0.40246 10
128 5A5W GUO 0.00003459 0.52309 10.4545
129 2OO0 PLP 0.0008045 0.45356 10.9091
130 3U6W KIV 0.01103 0.42368 10.9091
131 5OCS FMN 0.003277 0.41815 10.9091
132 2Z6J FMN 0.00004519 0.43906 11.3636
133 1LBF 137 0.0004608 0.41583 11.3636
134 4V15 PLP 0.0007692 0.40503 11.3636
135 2NUO BGC 0.001579 0.42642 11.4754
136 1L5Y BEF 0.003687 0.44287 11.6129
137 2BDG PBZ 0.00998 0.42451 11.6592
138 5ITZ GTP 0.006788 0.40583 11.811
139 2PLK P3D 0.001103 0.43088 11.8182
140 2XMY CDK 0.02411 0.4103 11.8182
141 4QNW FMN 0.004012 0.40748 11.8182
142 1ME8 RVP 0.00219 0.4389 12.2727
143 4I9A NCN 0.001371 0.43872 12.2727
144 1DQX BMP 0.0003179 0.4534 12.7273
145 4JEJ 1GP 0.00005892 0.44968 12.7273
146 1KBI PYR 0.000869 0.44411 12.7273
147 2BLE 5GP 0.001423 0.43647 13.1818
148 2HSA FMN 0.0005575 0.40326 13.1818
149 3OIX FMN 0.0008753 0.43884 13.6364
150 2FFC U5P 0.0008564 0.42571 13.6364
151 4QCK ASD 0.001066 0.45268 14.5455
152 1F76 FMN 0.001812 0.42885 15
153 2FKA BEF 0.008499 0.42009 15.5039
154 5GJO PLP 0.0002745 0.42618 15.9091
155 1JCM 137 0.0007965 0.42043 15.9091
156 1QO8 FAD 0.01625 0.40581 16.3636
157 1Z44 FMN 0.0007062 0.461 16.8182
158 1Z42 FMN 0.0009695 0.45959 16.8182
159 1Z48 FMN 0.0008363 0.4528 16.8182
160 1Z41 FMN 0.0008409 0.45269 16.8182
161 2C6Q IMP 0.001253 0.41075 17.7273
162 1EX7 5GP 0.02948 0.40017 18.2796
163 4JWX 1N4 0.02476 0.40411 18.6364
164 4IXH IMP 0.0002628 0.44087 20.4545
165 3FIU POP 0.009056 0.43014 21.8182
166 1M5W DXP 0.0002213 0.50945 23.6364
167 1DBT U5P 0.0003867 0.45849 23.6364
168 1X1Z BMP 0.002304 0.44908 31.3636
Pocket No.: 4; Query (leader) PDB : 2FLI; Ligand: DX5; 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: 2fli.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2fli.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2fli.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: 28
This union binding pocket(no: 7) in the query (biounit: 2fli.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UGY GLA BGC 0.007019 0.42967 None
2 2W47 UNF 0.01894 0.40695 None
3 1YXM ADE 0.02978 0.40103 1.36364
4 2D24 XYS XYS 0.01072 0.42286 1.81818
5 3AI3 SOE 0.022 0.40512 1.81818
6 4XP7 FNR 0.003873 0.4054 3.18182
7 5A89 ADP 0.02244 0.40033 3.20513
8 5A89 FMN 0.02449 0.40033 3.20513
9 2Q3R FMN 0.005066 0.40469 3.63636
10 3O94 NCA 0.01535 0.41402 3.79147
11 1WDD CAP 0.004683 0.40613 3.90625
12 1P4V GLY 0.02031 0.40751 4.09091
13 2PNC CLU 0.02306 0.40216 4.54545
14 2UVO NDG 0.0143 0.40056 4.67836
15 2V6A CAP 0.00485 0.40549 5
16 1TZJ A3B 0.02277 0.40493 5.90909
17 1FQJ ALF 0.0252 0.40353 5.90909
18 4YZC STU 0.01612 0.40204 6.81818
19 4NS0 PIO 0.02035 0.40782 7.5188
20 1W8S FBP 0.01437 0.40211 8.18182
21 1I7E IBS 0.02284 0.40532 9.09091
22 2VD9 IN5 0.00889 0.40439 9.54545
23 1WB4 SXX 0.02664 0.4009 9.54545
24 3ATY FMN 0.008165 0.40253 10
25 3UN3 G16 0.00832 0.40483 10.4545
26 4OHB 5HM 0.01385 0.4068 12.6316
27 1KBI FMN 0.02043 0.41388 12.7273
28 3OQJ 3CX 0.0174 0.40196 16.8182
Pocket No.: 8; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2fli.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2fli.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2fli.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2fli.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2FLI; Ligand: DX5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2fli.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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