Receptor
PDB id Resolution Class Description Source Keywords
3OVR 1.95 Å EC: 5.1.3.1 CRYSTAL STRUCTURE OF HRPE AND D-XYLULOSE 5-PHOSPHATE COMPLEX HOMO SAPIENS D-XYLULOSE 5-PHOSPHATE ISOMERASE
Ref.: CONVERSION OF D-RIBULOSE 5-PHOSPHATE TO D-XYLULOSE 5-PHOSPHATE: NEW INSIGHTS FROM STRUCTURAL AND BIOCH STUDIES ON HUMAN RPE FASEB J. V. 25 497 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5SP A:230;
B:230;
Valid;
Valid;
none;
none;
submit data
230.11 C5 H11 O8 P C([C@...
FE2 A:229;
B:229;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
XPE A:231;
A:232;
A:233;
A:234;
B:231;
B:232;
B:233;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
458.541 C20 H42 O11 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OVR 1.95 Å EC: 5.1.3.1 CRYSTAL STRUCTURE OF HRPE AND D-XYLULOSE 5-PHOSPHATE COMPLEX HOMO SAPIENS D-XYLULOSE 5-PHOSPHATE ISOMERASE
Ref.: CONVERSION OF D-RIBULOSE 5-PHOSPHATE TO D-XYLULOSE 5-PHOSPHATE: NEW INSIGHTS FROM STRUCTURAL AND BIOCH STUDIES ON HUMAN RPE FASEB J. V. 25 497 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
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: 5SP; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 5RP 1 1
2 HMS 1 1
3 5SP 1 1
4 RUB 0.657895 0.944444
5 XBP 0.657895 0.944444
6 TG6 0.641026 0.972222
7 F6R 0.641026 0.972222
8 I22 0.609756 0.972222
9 DER 0.594595 0.891892
10 DEZ 0.594595 0.891892
11 DXP 0.578947 0.815789
12 RES 0.536585 0.673469
13 PA5 0.512195 0.891892
14 R10 0.512195 0.891892
15 P6F 0.5 0.944444
16 M2P 0.5 0.916667
17 P6T 0.5 0.944444
18 2FP 0.5 0.944444
19 LG6 0.488372 0.891892
20 6PG 0.488372 0.891892
21 HG3 0.485714 0.783784
22 PAN 0.466667 0.673469
23 4TP 0.452381 0.75
24 LXP 0.45 0.944444
25 A5P 0.45 0.944444
26 DX5 0.45 0.944444
27 LX1 0.45 0.815789
28 RBL 0.444444 0.638889
29 QDK 0.444444 0.638889
30 XUL 0.444444 0.638889
31 S6P 0.439024 0.916667
32 KD0 0.425532 0.891892
33 E4P 0.425 0.861111
34 5FX 0.421053 0.605263
35 DG6 0.418605 0.918919
36 TX4 0.418605 0.632653
37 R5P 0.418605 0.916667
38 R52 0.418605 0.916667
39 3PG 0.410256 0.837838
40 H4P 0.408163 0.772727
41 52L 0.408163 0.723404
42 DG2 0.404762 0.810811
43 AGP 0.4 0.75
44 G6Q 0.4 0.916667
45 M6R 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OVR; Ligand: 5SP; Similar sites found: 158
This union binding pocket(no: 1) in the query (biounit: 3ovr.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QDS PGA 0.0003767 0.4869 None
2 2WCU FUC 0.02021 0.40943 None
3 1KR3 113 0.02627 0.40434 0.877193
4 1JCM 137 0.000538 0.42322 1.31579
5 1TRD PGH 0.0004976 0.40739 1.31579
6 5JSP DQY 0.01885 0.41273 1.49254
7 4JGT PYR 0.009984 0.43047 2.19298
8 1SW0 PGA 0.0003105 0.48514 2.63158
9 4N14 WR7 0.003918 0.4401 2.63158
10 4V15 PLP 0.004208 0.43102 2.63158
11 5NE2 DGL 0.008198 0.41945 2.63158
12 3KU0 ADE 0.02071 0.41543 2.63158
13 1KBJ FMN 0.006212 0.40297 2.63158
14 3BW2 FMN 0.0001879 0.41778 2.98103
15 4UTU LRY 0.0000687 0.51017 3.07018
16 4UTW RFW 0.0001125 0.49448 3.07018
17 1PZ1 NAP 0.004642 0.40976 3.07018
18 4ISS TAR 0.02214 0.40911 3.07018
19 4CW5 FMN 0.001936 0.4069 3.07018
20 2ZV2 609 0.02007 0.40219 3.07018
21 4B7J G39 0.01714 0.40175 3.07018
22 2ET1 GLV 0.01514 0.41737 3.48259
23 3MI2 PFU 0.001661 0.45208 3.50877
24 2QCD U5P 0.0003067 0.44254 3.50877
25 4HKP 16B 0.001113 0.44044 3.50877
26 4HKP TKW 0.001845 0.41992 3.50877
27 1LYX PGA 0.000515 0.41406 3.50877
28 1VHN FMN 0.01263 0.40814 3.50877
29 3TAO PGH 0.000617 0.40321 3.50877
30 1TUU AMP 0.02388 0.40234 3.50877
31 3P3N AKG 0.02935 0.40082 3.50877
32 1X1Z BMP 0.000921 0.46364 3.94737
33 2FJK 13P 0.001372 0.45942 3.94737
34 3KDN CAP 0.00116 0.45819 3.94737
35 3KRU FMN 0.001523 0.43734 3.94737
36 2IVD ACJ 0.007646 0.4186 3.94737
37 2FDW D3G 0.0126 0.4164 3.94737
38 1ZGS XMM 0.02005 0.40769 3.94737
39 2FFC U5P 0.001908 0.40565 3.94737
40 1Z03 OCH 0.02808 0.40283 3.94737
41 5AIG VPR 0.02597 0.40049 4
42 4OCT AKG 0.002939 0.44321 4.05405
43 2ZL4 ALA ALA ALA ALA 0.02775 0.40453 4.08163
44 2YPI PGA 0.0003117 0.49093 4.38596
45 4RQL SNE 0.006034 0.43252 4.38596
46 1ICP FMN 0.004025 0.41523 4.38596
47 3VKC FPQ 0.003394 0.41229 4.38596
48 5VSM 5AD 0.004363 0.41103 4.38596
49 5VSM MET 0.004976 0.40858 4.38596
50 5DMM HCS 0.03391 0.40119 4.38596
51 4Q4K FMN 0.0002013 0.46524 4.48179
52 3B0P FMN 0.0000213 0.52746 4.82456
53 5EYW PGA 0.0003137 0.49704 4.82456
54 2PLK P3D 0.0003502 0.44467 4.82456
55 4IXH IMP 0.0007002 0.43105 4.82456
56 3GLC R5P 0.01107 0.41087 4.82456
57 2OO0 PLP 0.0008401 0.40958 4.82456
58 4XDY HIO 0.02158 0.40431 4.82456
59 2HK1 FUD 0.02634 0.40018 4.82456
60 5OCS FMN 0.009321 0.40005 4.82456
61 3VY6 BGC BGC 0.001374 0.46449 4.96454
62 1ME8 RVP 0.003734 0.42536 5.26316
63 2F5X ASP 0.01788 0.41444 5.26316
64 1ONX ASP 0.02776 0.40309 5.26316
65 3ZGJ RMN 0.02973 0.40153 5.26316
66 1INN MET 0.01967 0.41571 5.42169
67 1Q6O LG6 0.00001177 0.47985 5.55556
68 5TCI MLI 0.0005072 0.49395 5.70175
69 3N9R TD3 0.002228 0.4491 5.70175
70 1Z44 FMN 0.001465 0.44816 5.70175
71 1Z41 FMN 0.001551 0.44248 5.70175
72 1Z42 FMN 0.003343 0.43581 5.70175
73 4IGH FMN 0.0087 0.42971 5.70175
74 4IGH 1EA 0.0087 0.42971 5.70175
75 4IGH ORO 0.0087 0.42971 5.70175
76 1WDD CAP 0.0009445 0.42304 5.70175
77 3W9Z FMN 0.0009077 0.41747 5.70175
78 5FBN 5WF 0.005855 0.41339 5.70175
79 3C56 PH4 0.002119 0.41059 5.70175
80 1LQA NDP 0.01092 0.4028 5.70175
81 1KBI PYR 0.007234 0.40165 5.70175
82 1Z48 FMN 0.001429 0.40118 5.70175
83 1EIX BMQ 0.001938 0.40079 5.70175
84 4X7Q 3YR 0.0155 0.4002 5.70175
85 1UZH CAP 0.0009442 0.42748 5.7377
86 1M5W DXP 0.0004906 0.49371 6.14035
87 1NJJ ORX 0.001569 0.42635 6.14035
88 1LBF 137 0.000407 0.42471 6.14035
89 2V68 CAP 0.001043 0.43765 6.42857
90 1IR2 CAP 0.0008988 0.43651 6.42857
91 2V67 CAP 0.001039 0.43386 6.42857
92 2V63 CAP 0.000855 0.42966 6.42857
93 2VDH CAP 0.0009528 0.4278 6.42857
94 2V6A CAP 0.0009574 0.42333 6.42857
95 3EXS 5RP 0.000004678 0.58019 6.78733
96 4AF0 IMP 0.001668 0.42172 7.01754
97 1PS9 FMN 0.003757 0.40721 7.01754
98 4QCK ASD 0.01398 0.40231 7.01754
99 4GJY OGA 0.0316 0.40026 7.01754
100 1DQX BMP 0.001182 0.4239 7.45614
101 1C1X HFA 0.006011 0.4236 7.45614
102 1BW9 PPY 0.00875 0.41186 7.45614
103 2Q3M MLA 0.02218 0.40929 7.45614
104 2NVA PL2 0.001801 0.40371 7.45614
105 2FKA BEF 0.002991 0.44921 7.75194
106 3FGZ BEF 0.01255 0.40893 7.8125
107 2F6U CIT 0.001537 0.46814 7.89474
108 4I9A NCN 0.004876 0.41598 7.89474
109 1TUF AZ1 0.001227 0.41545 7.89474
110 1UZD CAP 0.0009172 0.42848 8.20895
111 5A5W GUO 0.0001211 0.49422 8.33333
112 4ORM 2V6 0.008232 0.43019 8.33333
113 4ORM FMN 0.008232 0.43019 8.33333
114 4ORM ORO 0.008232 0.43019 8.33333
115 2GJN FMN 0.0001895 0.43988 8.77193
116 2GJN NIS 0.0001175 0.43603 8.77193
117 4TO8 FLC 0.01241 0.40975 8.77193
118 3HF3 FMN 0.004296 0.4006 8.77193
119 1GXU 2HP 0.01795 0.40876 8.79121
120 4YMZ 13P 0.0003345 0.49564 9.21053
121 2BTM PGA 0.0004812 0.48771 9.21053
122 2Q3O FMN 0.001212 0.42742 9.21053
123 2BLE 5GP 0.004615 0.41132 9.21053
124 5TQZ GLC 0.009722 0.42592 9.33333
125 3QH2 3NM 0.0001684 0.51764 9.50226
126 2C91 NAP 0.01192 0.40115 9.64912
127 3RGA LSB 0.01051 0.40449 10.5263
128 2Z6I FMN 0.0001018 0.47164 10.9649
129 2B4G FMN 0.002892 0.41841 10.9649
130 5GJO PLP 0.000416 0.41549 10.9649
131 2P8O BVA 0.009416 0.40318 11.3402
132 4O48 ASP 0.02463 0.40637 11.4035
133 4L6H HCS 0.01103 0.42568 11.8421
134 2TPS TPS 0.002892 0.41687 11.8943
135 1Y7P RIP 0.003159 0.43152 12.1076
136 1DBT U5P 0.0005361 0.45431 12.7193
137 2Q8Z NUP 0.0009141 0.43431 12.7193
138 4JEJ 1GP 0.00009394 0.43718 13.1579
139 1OFD FMN 0.002909 0.42893 13.1579
140 1OFD AKG 0.002643 0.42831 13.1579
141 4NAE 1GP 0.0003556 0.50673 13.3333
142 1IR1 CAP 0.002192 0.42384 13.8211
143 2OEM 1AE 0.00006517 0.43355 14.0351
144 4WZH FMN 0.0007769 0.41891 14.0351
145 2HSA FMN 0.0008783 0.40157 14.0351
146 1L5Y BEF 0.001691 0.45489 14.1935
147 1BWV CAP 0.001877 0.43053 14.4737
148 4K37 SAM 0.002931 0.42986 14.4737
149 3OIX FMN 0.001819 0.42195 14.9123
150 3MJY FMN 0.0005143 0.45758 15.3509
151 3MJY IJZ 0.0005143 0.45758 15.3509
152 2Z6J FMN 0.000175 0.42492 15.7895
153 2Y88 2ER 0.00004961 0.50576 16.6667
154 4EWN 0VR 0.0003409 0.47252 17.1053
155 5CSS G3P 0.0005624 0.48431 17.6991
156 4NPT 017 0.01732 0.40535 20.202
157 1RBL CAP 0.001082 0.42945 23.8532
158 1UJP CIT 0.001506 0.43879 33.7719
Pocket No.: 2; Query (leader) PDB : 3OVR; Ligand: 5SP; 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: 3ovr.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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