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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 1443 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 1205 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 1039 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 with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 3kv5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2GJ3 FAD None
2 6FFI D8B 1.57658
3 6EOZ AKG 1.62338
4 6EOZ 58K 1.62338
5 4W9N TCL 1.76991
6 3PQB VGP 1.84426
7 1O98 2PG 1.84426
8 5LGA 6VH 2
9 5E7V M7E 2
10 4NPL AKG 2
11 3MPB FRU 2.03252
12 5XVG 8FX 2.04778
13 1HKK NAA NAA AMI 2.04918
14 5A3T MMK 2.079
15 3B99 U51 2.10526
16 2WKQ FMN 2.10843
17 5FWJ MMK 2.12314
18 6F6J SIN 2.23464
19 6F6J CUW 2.23464
20 6FXR AKG 2.2541
21 5FP3 3JI 2.2541
22 6F6D AKG 2.2541
23 2UZ2 BTN 2.30769
24 4BG1 IVL 2.32558
25 4BG1 OGA 2.32558
26 5C3R HMU 2.33236
27 5C3R AKG 2.33236
28 4P7X YCP 2.39726
29 4P7X AKG 2.39726
30 5UWA 8ND 2.46305
31 6BYM HC3 2.46305
32 6IIU A8X 2.47934
33 5LY2 OGA 2.62467
34 5FWE OGA 2.62467
35 2OS2 OGA 2.62467
36 2YBP 2HG 2.62467
37 6H8P OGA 2.62467
38 3FW3 ETS 2.63158
39 6FUL E7Z 2.66393
40 4IE6 UN9 2.66393
41 5FP4 YC8 2.69461
42 5KR7 6X9 2.7248
43 5OX6 A1Z 2.77778
44 5F3I 5UJ 2.77778
45 2P5B OGA 2.84091
46 2Q8E OGA 2.84091
47 3HQR OGA 2.84553
48 5IKR ID8 2.86885
49 1S5O 152 2.86885
50 4UF0 MMK 2.92887
51 3OPT AKG 2.94906
52 3E3U NVC 3.04569
53 3B1Q NOS 3.06748
54 5C5T AKG 3.07018
55 2JIG PD2 3.125
56 4OCT AKG 3.15315
57 2FCU AKG 3.19489
58 1UNB AKG 3.21543
59 1UNB PN1 3.21543
60 4JZR 4JR 3.24074
61 5NCJ SIN 3.35821
62 5NCJ HL5 3.35821
63 2A1X AKG 3.57143
64 2Z77 HE7 3.59712
65 1ODM ASV 3.62538
66 5HV0 AKG 3.68664
67 1E8G FAD 3.68852
68 1E8G FCR 3.68852
69 1TUF AZ1 3.68852
70 4YGF AZM 3.84615
71 5YU3 NAD 3.89344
72 5YU3 PRO 3.89344
73 5I0U DCY 4
74 4RPO T6C 4.03587
75 1T27 PCW 4.05904
76 6CAY ERG 4.14201
77 3NTA COA 4.30328
78 6F4T OGA 4.31373
79 4M26 ZZU 4.3956
80 4M26 SIN 4.3956
81 4M26 AKG 4.3956
82 4RFR RHN 4.4335
83 1N9L FMN 4.58716
84 1OS7 TAU 4.59364
85 1OS7 AKG 4.59364
86 5O9W AKG 4.63215
87 3P7N FMN 4.65116
88 4B2Z P5S 4.6875
89 4WUJ FMN 4.7619
90 1GP6 QUE 4.77528
91 1GP6 DH2 4.77528
92 1GP6 SIN 4.77528
93 4AZP A9M 5.07246
94 3C3D FO1 5.14469
95 4HSJ 6PC 5.17241
96 3T4L ZEA 5.18518
97 1IS3 LAT 5.18518
98 3RM4 3RM 5.32787
99 3RGA LSB 5.32787
100 3T50 FMN 5.46875
101 2Y6Q I7T 5.52764
102 5EXE 5SR 5.82278
103 1V97 MTE 5.94262
104 5YBL AKG 6.05096
105 6GBV FMN 6.16438
106 1NX4 AKG 6.22711
107 2RDQ AKG 6.25
108 6EHH 2GE 6.25
109 1OIJ AKG 6.31229
110 1OIK C26 6.31229
111 1OIK AKG 6.31229
112 1Y52 BTN 6.34921
113 4QM9 CYS 6.35838
114 4BCS BTN 6.4
115 4NAO AKG 6.44172
116 3T1A 5MA 6.7623
117 6HDT BTN 6.76692
118 1QFT HSM 6.85714
119 4GGZ BTN 6.95652
120 1OPK P16 6.96721
121 1SWG BTN 7.03125
122 6C99 EQY 7.07071
123 3WUC GLC GAL 7.29927
124 3EW2 BTN 7.40741
125 3L4S NAD 7.44048
126 2Z6C FMN 7.75194
127 2ZSC BTN 7.80142
128 4OJ8 2TQ 7.84983
129 4OJ8 AKG 7.84983
130 1LRH NLA 7.97546
131 4E2J MOF 8
132 3SAO NKN 8.125
133 4Y24 TD2 8.44156
134 2Z6D FMN 8.46154
135 4AU8 Z3R 8.78378
136 4GCZ FMN 8.83117
137 5JSP DQY 8.95522
138 5FLJ QUE 9.13978
139 2ET1 GLV 9.45274
140 4EES FMN 9.56522
141 4JNJ BTN 9.56522
142 4XCB HY0 9.57854
143 4XCB AKG 9.57854
144 5JWP AKG 9.65909
145 3OYW TDG 9.70149
146 1SLT NDG GAL 9.70149
147 2WA4 069 9.74212
148 1H2M OGA 9.74212
149 2XUM OGA 9.74212
150 3P3N AKG 9.74212
151 4B7E OGA 9.74212
152 2PR5 FMN 9.84848
153 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 10
154 2IUW AKG 10.084
155 6A63 LAT 10.1449
156 5N0L ILE 11.3208
157 5ZM4 9FU 12.0915
158 5ZM4 AKG 12.0915
159 1H2K OGA 12.1951
160 3E2M E2M 12.4324
161 3T2W BTN 13.1148
162 3AVR OGA 13.6364
163 5XEG AKG 13.8528
164 4BJ8 BTN 14.2857
165 1KQW RTL 14.9254
166 4R38 RBF 15.7143
167 4NG2 OHN 15.9292
168 5IVE 6E8 18.7879
169 3G08 FEE 19.1919
170 3RUG DB6 19.1919
171 1VYF OLA 20
172 1J3R 6PG 25.7895
173 2GC0 PAN 26.5957
174 2Y0I AKG 33.3333
175 3PVW QRX 37.8378
176 4BXF AKG 42.1053
177 3N9Q OGA 47.9508
178 3N9O OGA 47.9508
179 3N9P OGA 47.9508
180 3PUR 2HG 47.9508
Pocket No.: 2; Query (leader) PDB : 3KV5; Ligand: OGA; 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: 3kv5.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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