Receptor
PDB id Resolution Class Description Source Keywords
4GJY 1.25 Å EC: 1.14.11.27 JMJD5 IN COMPLEX WITH N-OXALYLGLYCINE HOMO SAPIENS JMJC BETA BARREL FE(II) AND 2-OXOGLUTARATE BINDING OXIDOR
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF JMJD5 AN ALTERNATE SPECIFICITY AND FUNCTION. MOL.CELL.BIOL. V. 32 4044 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:501;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
OGA A:502;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GJY 1.25 Å EC: 1.14.11.27 JMJD5 IN COMPLEX WITH N-OXALYLGLYCINE HOMO SAPIENS JMJC BETA BARREL FE(II) AND 2-OXOGLUTARATE BINDING OXIDOR
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL ANALYSIS OF JMJD5 AN ALTERNATE SPECIFICITY AND FUNCTION. MOL.CELL.BIOL. V. 32 4044 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4GJY - OGA C4 H5 N O5 C(C(=O)O)N....
2 4GJZ - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4GJY - OGA C4 H5 N O5 C(C(=O)O)N....
2 4GJZ - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4GJY - OGA C4 H5 N O5 C(C(=O)O)N....
2 4GJZ - AKG C5 H6 O5 C(CC(=O)O)....
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 : 4GJY; Ligand: OGA; Similar sites found: 169
This union binding pocket(no: 1) in the query (biounit: 4gjy.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BJ8 BTN 0.002097 0.4524 None
2 1VYF OLA 0.01315 0.42713 None
3 5K21 6QF 0.01557 0.40123 None
4 4DE9 VTP 0.001393 0.48266 1.2766
5 3MPB FRU 0.00004757 0.44232 1.70213
6 2Y88 2ER 0.03333 0.41068 1.70213
7 4J25 OGA 0.000006151 0.56421 1.74672
8 5UWA 8ND 0.03767 0.40665 1.97044
9 2OAZ I96 0.02319 0.40335 2.12766
10 4RJK TDL 0.04119 0.40158 2.12766
11 4KYK IMN 0.01599 0.40119 2.17391
12 1FDQ HXA 0.02136 0.42153 2.29008
13 5FWJ MMK 0.000001539 0.60339 2.55319
14 1NX4 AKG 0.001303 0.44473 2.55319
15 2OG7 SIN 0.003125 0.41327 2.55319
16 3B1Q NOS 0.01663 0.4119 2.55319
17 1ZOA 140 0.04175 0.4044 2.55319
18 5C3R AKG 0.0009546 0.40026 2.55319
19 5C3R HMU 0.0009546 0.40026 2.55319
20 4ZSI 4R1 0.01145 0.41757 2.92398
21 3EW2 BTN 0.0004556 0.48066 2.96296
22 2FCU AKG 0.000006208 0.5666 2.97872
23 2IUW AKG 0.00002269 0.54078 2.97872
24 1OS7 AKG 0.0002088 0.51551 2.97872
25 1OS7 TAU 0.0002088 0.51551 2.97872
26 3W21 AKG 0.0001887 0.47403 2.97872
27 5EQU 5R6 0.04323 0.41161 2.97872
28 5EQU AKG 0.01658 0.41158 2.97872
29 3S7O LBV 0.03261 0.40793 2.97872
30 1URX AAL GAL AAL GLA 0.01458 0.40776 2.97872
31 3BXO UPP 0.02264 0.40343 2.97872
32 5I0U DCY 0.000000537 0.62804 3
33 4EKV BTN 0.00216 0.44842 3.14465
34 3RDO BTN 0.002361 0.44951 3.26797
35 5KR7 6X9 0.000001156 0.61712 3.40426
36 3NKT 1HN 0.0001712 0.46368 3.40426
37 1GP6 DH2 0.00292 0.45399 3.40426
38 1GP6 QUE 0.003121 0.45399 3.40426
39 1GP6 SIN 0.00292 0.45399 3.40426
40 1OIK C26 0.004055 0.43798 3.40426
41 1OIK AKG 0.001704 0.43798 3.40426
42 1OIJ AKG 0.001122 0.43641 3.40426
43 4QJP V1F 0.02946 0.40414 3.40426
44 5JSP DQY 0.0001515 0.49161 3.48259
45 1ZZ7 S0H 0.0003015 0.48457 3.53535
46 3SCH TB6 0.0003956 0.46812 3.53535
47 5FP3 3JI 0.000007273 0.59097 3.82979
48 3PUA OGA 0.0000606 0.49437 3.82979
49 2C4I BTN 0.001339 0.46626 3.82979
50 4M26 SIN 0.002089 0.4656 3.82979
51 5M0T AKG 0.001181 0.44692 3.82979
52 2RFY CBI 0.003565 0.43198 3.82979
53 1R6W 164 0.01064 0.41604 3.82979
54 5KJU 6TO 0.0226 0.4077 3.82979
55 4BX7 B4F 0.002611 0.46493 3.90625
56 4CPH LH4 0.002148 0.45366 3.93701
57 4ZU4 4TG 0.00511 0.4316 4.05405
58 4WUJ FMN 0.03017 0.40118 4.08163
59 4IGQ THR M3L GLN 0.000001093 0.63417 4.25532
60 4IGQ OGA 0.00000004418 0.61177 4.25532
61 5EPA AKG 0.00001882 0.5465 4.25532
62 2RDQ AKG 0.0000687 0.53755 4.25532
63 3ZDS HMQ 0.001922 0.44912 4.25532
64 3ZDS HQ9 0.002689 0.43398 4.25532
65 3ZDS OMD 0.003808 0.43187 4.25532
66 5V1B 8UY 0.00367 0.43005 4.25532
67 3ZDS M8O 0.004305 0.42924 4.25532
68 4B7P 9UN 0.03885 0.4176 4.34783
69 5C5T AKG 0.00003482 0.48067 4.38596
70 4OCT AKG 0.0004333 0.47542 4.5045
71 2UZ2 BTN 0.005391 0.43052 4.61538
72 4XAC AKG 0.00004552 0.51981 4.68085
73 3KV5 OGA 0.00003866 0.51149 4.68085
74 3NNF AKG 0.00008811 0.50401 4.68085
75 4B2Z P5S 0.0297 0.41772 4.68085
76 4RQL SNE 0.01072 0.40232 4.68085
77 5ML3 DL3 0.007817 0.44803 4.69799
78 2JIG PD2 0.0000007215 0.62197 4.91071
79 5LUN ARG 0.0001034 0.53908 5.10638
80 5LUN OGA 0.00002352 0.53857 5.10638
81 4MLO PAM 0.01178 0.4145 5.10638
82 1J3R 6PG 0.0003875 0.48252 5.26316
83 5U55 S0H 0.01572 0.41904 5.26316
84 2GC0 PAN 0.000296 0.49497 5.31915
85 2IFB PLM 0.01267 0.42241 5.34351
86 1DRY AKG 0.0002443 0.52042 5.53191
87 1DRY AAG 0.0002443 0.52042 5.53191
88 2C49 ADN 0.01418 0.41378 5.53191
89 1POT SPD 0.006709 0.40809 5.53191
90 2EQA AMP 0.02683 0.40297 5.53191
91 1Y52 BTN 0.007009 0.45803 5.55556
92 2ZSC BTN 0.001073 0.46684 5.67376
93 5A3T MMK 0.000001276 0.6502 5.95745
94 3H7J PPY 0.00008701 0.51875 5.95745
95 4NPL AKG 0.0001838 0.48917 5.95745
96 4BG1 IVL 0.0007054 0.48484 5.95745
97 3H9A PPY 0.0003508 0.47811 5.95745
98 4YRD 3IT 0.000209 0.46505 5.95745
99 3FW4 CAQ 0.005157 0.44511 6.17978
100 3GM5 CIT 0.001967 0.43967 6.28931
101 4QM9 CYS 0.000004073 0.57094 6.35838
102 5IQT AKG 0.0006227 0.48661 6.38298
103 5IQT 6CU 0.001172 0.47715 6.38298
104 1GQG DCD 0.001361 0.47107 6.38298
105 1NCQ W11 0.01557 0.41222 6.38298
106 2Z93 END 0.009997 0.41399 6.42202
107 1QXW M1C 0.005118 0.43623 6.80851
108 4XCB HY0 0.01177 0.42456 6.80851
109 4XCB AKG 0.005204 0.41982 6.80851
110 4RFR RHN 0.0000132 0.5728 6.89655
111 3OVR 5SP 0.0316 0.40026 7.01754
112 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.000004895 0.4493 7.07965
113 1N5S ADL 0.003229 0.44336 7.14286
114 2ZCQ B65 0.01277 0.4432 7.23404
115 4NAO AKG 0.007586 0.40062 7.23404
116 2ARC ARA 0.002041 0.44015 7.31707
117 5TFZ 7BC 0.00001127 0.55909 7.33333
118 5HV0 AKG 0.00000009927 0.6788 7.8341
119 3ZW2 GAL FUC 0.01576 0.40712 8.04598
120 4ZU5 THM 0.001271 0.46337 8.33333
121 2ET1 GLV 0.00005768 0.51423 8.45771
122 5LY2 OGA 0.0000003514 0.62202 8.51064
123 5FWE OGA 0.0000003905 0.61907 8.51064
124 2Q8E OGA 0.0000005412 0.61644 8.51064
125 2Q8C AKG 0.0000004179 0.61602 8.51064
126 2P5B OGA 0.000001478 0.61091 8.51064
127 3HQR OGA 0.0005007 0.48138 8.51064
128 5L9B AKG 0.001021 0.46095 8.51064
129 5L9V OGA 0.0007081 0.42076 8.51064
130 4QDF 30Q 0.01197 0.41168 8.51064
131 1WBI BTN 0.00345 0.44083 8.52713
132 4R38 RBF 0.01247 0.41997 8.57143
133 3AVS OGA 0.000003067 0.58522 8.93617
134 3AVR OGA 0.000001279 0.57326 8.93617
135 3WKX FUB 0.009257 0.40118 8.93617
136 4JZR 4JR 0.001802 0.44879 9.25926
137 3ACL 3F1 0.001987 0.45227 9.45946
138 3AMN CBK 0.02496 0.41208 10.2128
139 3AMN CBI 0.02496 0.41208 10.2128
140 4BVM VCA 0.02593 0.4083 10.5263
141 4UF0 MMK 0.001443 0.45589 10.6383
142 3T2W BTN 0.006592 0.42177 10.6557
143 5U98 1KX 0.04501 0.409 11.1111
144 4BCS BTN 0.001766 0.46035 11.2
145 3KV4 OGA 0.00004264 0.50235 11.4894
146 4NG2 OHN 0.02219 0.41055 11.5044
147 1SWG BTN 0.003961 0.43231 11.7188
148 5UQD AKG 0.00001471 0.54109 11.9149
149 5IVE 6E8 0.000007392 0.60685 12.3404
150 4P7X AKG 0.001218 0.46754 12.3404
151 4P7X YCP 0.001218 0.46754 12.3404
152 1QY1 PRZ 0.004424 0.44147 12.6437
153 2ZMF CMP 0.01319 0.41922 12.6984
154 1LRH NLA 0.0001135 0.5078 13.4969
155 4GGZ BTN 0.0001555 0.43249 14.7826
156 3G08 FEE 0.02971 0.42941 16.1616
157 4Y3O OGA 0.0000004573 0.61966 16.1702
158 4BXF AKG 0.000002605 0.58489 17.0213
159 1ODM ASV 0.00238 0.45783 17.8723
160 4Z28 BTN 0.0005282 0.42194 17.9104
161 4LIT AKG 0.00000742 0.56462 18.7234
162 5FLJ QUE 0.003318 0.44722 25.8065
163 1H2M OGA 0.00000000000496 0.87081 27.234
164 1H2K OGA 0.000000000005624 0.86763 27.234
165 2XUM OGA 0.000000000007241 0.86159 27.234
166 2Y0I AKG 0.0000000000107 0.86029 27.234
167 3P3N AKG 0.000000000009723 0.8547 27.234
168 4B7E OGA 0.00000000001013 0.81176 27.234
169 2WA4 069 0.0000000002179 0.643 27.234
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