Receptor
PDB id Resolution Class Description Source Keywords
3KV5 2.39 Å NON-ENZYME: OTHER STRUCTURE OF KIAA1718, HUMAN JUMONJI DEMETHYLASE, IN COMPLEX WITH N-OXALYLGLYCINE HOMO SAPIENS EPIGENETICS HISTONE CODE JUMONJI LYSINE DEMETHYLASE METAL-BINDING ZINC ZINC-FINGER
Ref.: ENZYMATIC AND STRUCTURAL INSIGHTS FOR SUBSTRATE SPECIFICITY OF A FAMILY OF JUMONJI HISTONE LYSINE DEMETHYLASES. NAT.STRUCT.MOL.BIOL. V. 17 38 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 A:491;
A:492;
D:491;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
OGA A:5798;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
SO4 A:493;
D:492;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:489;
A:490;
D:489;
D:490;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KV5 2.39 Å NON-ENZYME: OTHER STRUCTURE OF KIAA1718, HUMAN JUMONJI DEMETHYLASE, IN COMPLEX WITH N-OXALYLGLYCINE HOMO SAPIENS EPIGENETICS HISTONE CODE JUMONJI LYSINE DEMETHYLASE METAL-BINDING ZINC ZINC-FINGER
Ref.: ENZYMATIC AND STRUCTURAL INSIGHTS FOR SUBSTRATE SPECIFICITY OF A FAMILY OF JUMONJI HISTONE LYSINE DEMETHYLASES. NAT.STRUCT.MOL.BIOL. V. 17 38 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
2 3PU3 - OGA C4 H5 N O5 C(C(=O)O)N....
3 3PUS - OGA C4 H5 N O5 C(C(=O)O)N....
4 3PU8 - OGA C4 H5 N O5 C(C(=O)O)N....
5 3PUA - OGA C4 H5 N O5 C(C(=O)O)N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OGA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OGA 1 1
2 AAC 0.461538 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KV5; Ligand: OGA; Similar sites found: 140
This union binding pocket(no: 1) in the query (biounit: 3kv5.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GJ3 FAD 0.02112 0.40313 None
2 4W9N TCL 0.0108 0.40244 1.76991
3 3PQB VGP 0.006616 0.43927 1.84426
4 1O98 2PG 0.01098 0.40835 1.84426
5 5LGA 6VH 0.009141 0.447 2
6 4NPL AKG 0.00315 0.43625 2
7 5E7V M7E 0.03019 0.40999 2
8 3MPB FRU 0.001047 0.47444 2.03252
9 5A3T MMK 0.00104 0.48309 2.079
10 3B99 U51 0.01348 0.40383 2.10526
11 5FWJ MMK 0.0002713 0.48207 2.12314
12 5FP3 3JI 0.0008027 0.47875 2.2541
13 2UZ2 BTN 0.01108 0.41338 2.30769
14 4BG1 IVL 0.008469 0.43382 2.32558
15 5C3R AKG 0.005105 0.43641 2.33236
16 5C3R HMU 0.005105 0.43641 2.33236
17 4P7X YCP 0.001102 0.47328 2.39726
18 4P7X AKG 0.001102 0.47328 2.39726
19 5UWA 8ND 0.002915 0.46164 2.46305
20 5LY2 OGA 0.00008455 0.50266 2.62467
21 2OS2 OGA 0.0001141 0.49925 2.62467
22 5FWE OGA 0.0001157 0.49437 2.62467
23 2YBP 2HG 0.0001779 0.48971 2.62467
24 3FW3 ETS 0.01947 0.40176 2.63158
25 4IE6 UN9 0.0002659 0.52856 2.66393
26 3AVS OGA 0.0002425 0.4886 2.66393
27 5KR7 6X9 0.00002136 0.54967 2.7248
28 4BQY FNT 0.00008962 0.53415 2.77778
29 5F3I 5UJ 0.001167 0.5065 2.77778
30 2P5B OGA 0.0001561 0.50508 2.84091
31 2Q8E OGA 0.0001208 0.4984 2.84091
32 2Q8C AKG 0.0001547 0.4892 2.84091
33 3HQR OGA 0.0003057 0.49522 2.84553
34 1S5O 152 0.008389 0.40477 2.86885
35 4UF0 MMK 0.000939 0.47232 2.92887
36 3OPT AKG 0.00005001 0.5178 2.94906
37 3B1Q NOS 0.01849 0.40376 3.06748
38 5C5T AKG 0.0008572 0.4699 3.07018
39 2JIG PD2 0.001742 0.45059 3.125
40 4OCT AKG 0.001234 0.46281 3.15315
41 2FCU AKG 0.01051 0.4019 3.19489
42 1UNB AKG 0.001832 0.47618 3.21543
43 1UNB PN1 0.002056 0.47618 3.21543
44 4JZR 4JR 0.00129 0.46202 3.24074
45 2A1X AKG 0.0003455 0.45302 3.57143
46 2Z77 HE7 0.02557 0.41069 3.59712
47 1ODM ASV 0.0002274 0.52295 3.62538
48 5HV0 AKG 0.001026 0.46561 3.68664
49 1E8G FCR 0.03669 0.41599 3.68852
50 1E8G FAD 0.03788 0.41599 3.68852
51 1TUF AZ1 0.01737 0.4148 3.68852
52 4YGF AZM 0.02231 0.40225 3.84615
53 5I0U DCY 0.0001904 0.49513 4
54 1T27 PCW 0.03982 0.42055 4.05904
55 3NTA COA 0.0402 0.40636 4.30328
56 4M26 AKG 0.003546 0.41926 4.3956
57 4M26 SIN 0.02179 0.41288 4.3956
58 4M26 ZZU 0.02179 0.41288 4.3956
59 4RFR RHN 0.003855 0.44251 4.4335
60 1OS7 TAU 0.004624 0.43989 4.59364
61 1OS7 AKG 0.004624 0.43989 4.59364
62 3P7N FMN 0.0004207 0.49845 4.65116
63 4GJY OGA 0.00003866 0.51149 4.68085
64 4B2Z P5S 0.03974 0.41541 4.6875
65 3AB3 GDP 0.02545 0.40143 4.71311
66 4WUJ FMN 0.01106 0.41663 4.7619
67 1GP6 SIN 0.008394 0.43884 4.77528
68 1GP6 QUE 0.008916 0.43884 4.77528
69 1GP6 DH2 0.008394 0.43884 4.77528
70 4AZP A9M 0.02084 0.41321 5.07246
71 1IS3 LAT 0.00495 0.40825 5.18518
72 3T4L ZEA 0.01332 0.40559 5.18518
73 3RM4 3RM 0.01283 0.4258 5.32787
74 3RGA LSB 0.01227 0.41935 5.32787
75 3T50 FMN 0.01068 0.4158 5.46875
76 2Y6Q I7T 0.0386 0.41968 5.52764
77 1V97 MTE 0.03662 0.41244 5.94262
78 1NX4 AKG 0.0001694 0.49403 6.22711
79 2RDQ AKG 0.004569 0.43626 6.25
80 1OIJ AKG 0.001289 0.43545 6.31229
81 1OIK C26 0.02191 0.40756 6.31229
82 1OIK AKG 0.0108 0.4067 6.31229
83 1Y52 BTN 0.03683 0.40677 6.34921
84 4QM9 CYS 0.0001393 0.50242 6.35838
85 1DZK PRZ 0.01634 0.40115 6.36943
86 4BCS BTN 0.006682 0.42661 6.4
87 4NAO AKG 0.0006804 0.45665 6.44172
88 3T1A 5MA 0.017 0.40806 6.7623
89 1QFT HSM 0.01069 0.41645 6.85714
90 4GGZ BTN 0.006152 0.42061 6.95652
91 1OPK P16 0.01917 0.41546 6.96721
92 2WBP SIN 0.01052 0.4187 6.98324
93 2WBP ZZU 0.01052 0.4187 6.98324
94 3WUC GLC GAL 0.01238 0.41343 7.29927
95 3EW2 BTN 0.001547 0.44213 7.40741
96 3L4S NAD 0.0388 0.40586 7.44048
97 2Z6C FMN 0.006506 0.43021 7.75194
98 2ZSC BTN 0.04563 0.40133 7.80142
99 1LRH NLA 0.0002298 0.4949 7.97546
100 3SAO NKN 0.01443 0.41099 8.125
101 4Y24 TD2 0.00695 0.41611 8.44156
102 4AU8 Z3R 0.008842 0.41674 8.78378
103 5JSP DQY 0.001197 0.45465 8.95522
104 5FLJ QUE 0.01494 0.41599 9.13978
105 2ET1 GLV 0.005055 0.41503 9.45274
106 4EES FMN 0.0005974 0.49023 9.56522
107 4JNJ BTN 0.003648 0.42884 9.56522
108 4XCB HY0 0.009831 0.43606 9.57854
109 4XCB AKG 0.005643 0.42529 9.57854
110 3OYW TDG 0.007299 0.40911 9.70149
111 4B7E OGA 0.000003608 0.57268 9.74212
112 2XUM OGA 0.000003937 0.56543 9.74212
113 1H2M OGA 0.00000544 0.55733 9.74212
114 3P3N AKG 0.000006618 0.55284 9.74212
115 2WA4 069 0.00001641 0.45543 9.74212
116 2PR5 FMN 0.0006869 0.48406 9.84848
117 1DRY AKG 0.009632 0.42564 9.87654
118 1DRY AAG 0.009632 0.42564 9.87654
119 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 0.02575 0.41086 10
120 2IUW AKG 0.0003155 0.49147 10.084
121 1H2K OGA 0.000005831 0.55535 12.1951
122 3E2M E2M 0.03764 0.43069 12.4324
123 3AVR OGA 0.0001626 0.49104 13.6364
124 4BJ8 BTN 0.01585 0.40541 14.2857
125 1KQW RTL 0.02351 0.40197 14.9254
126 4R38 RBF 0.006414 0.43165 15.7143
127 4NG2 OHN 0.02425 0.40202 15.9292
128 5IVE 6E8 0.0001187 0.53883 18.7879
129 3G08 FEE 0.01724 0.44294 19.1919
130 3RUG DB6 0.02809 0.42051 19.1919
131 1VYF OLA 0.02369 0.41348 20
132 1J3R 6PG 0.009393 0.41127 25.7895
133 2GC0 PAN 0.009231 0.42087 26.5957
134 2Y0I AKG 0.000009614 0.55075 33.3333
135 3PVW QRX 0.01967 0.41493 37.8378
136 4BXF AKG 0.004998 0.41432 42.1053
137 3N9Q OGA 0.00000000001435 0.85487 47.9508
138 3N9O OGA 0.0000000000177 0.84922 47.9508
139 3N9P OGA 0.0000000000724 0.814 47.9508
140 3PUR 2HG 0.000000000169 0.808 47.9508
Pocket No.: 2; Query (leader) PDB : 3KV5; Ligand: OGA; 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: 3kv5.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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