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Receptor
PDB id Resolution Class Description Source Keywords
2ZE3 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DFA0005 COMPLEXED WITH ALPHA-KETOGLUTAR NOVEL MEMBER OF THE ICL/PEPM SUPERFAMILY FROM ALKALI-TOLERAD EINOCOCCUS FICUS DEINOCOCCUS FICUS DEINOCOCCUS FICUS ORGANIC WASTE LEFT-OVER DECOMPOSITION ALKALIPHILIC ICL/PEPM SUPERFAMILY ALPHA-KETOGLUTARATE LIGISOMERASE
Ref.: CRYSTAL STRUCTURE OF DFA0005 COMPLEXED WITH ALPHA-KETOGLUTARATE: A NOVEL MEMBER OF THE ICL/PEPM SUPERFAMILY FROM ALKALI-TOLERANT DEINOCOCCUS FICUS PROTEINS V. 73 362 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:276;
Valid;
none;
Ki = 0.9 mM
146.098 C5 H6 O5 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZE3 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DFA0005 COMPLEXED WITH ALPHA-KETOGLUTAR NOVEL MEMBER OF THE ICL/PEPM SUPERFAMILY FROM ALKALI-TOLERAD EINOCOCCUS FICUS DEINOCOCCUS FICUS DEINOCOCCUS FICUS ORGANIC WASTE LEFT-OVER DECOMPOSITION ALKALIPHILIC ICL/PEPM SUPERFAMILY ALPHA-KETOGLUTARATE LIGISOMERASE
Ref.: CRYSTAL STRUCTURE OF DFA0005 COMPLEXED WITH ALPHA-KETOGLUTARATE: A NOVEL MEMBER OF THE ICL/PEPM SUPERFAMILY FROM ALKALI-TOLERANT DEINOCOCCUS FICUS PROTEINS V. 73 362 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2ZE3 Ki = 0.9 mM AKG C5 H6 O5 C(CC(=O)O)....
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 2ZE3 Ki = 0.9 mM AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2ZE3 Ki = 0.9 mM AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZE3; Ligand: AKG; Similar sites found with APoc: 138
This union binding pocket(no: 1) in the query (biounit: 2ze3.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5EW9 5VC None
2 5DXA SFG 1.45455
3 5DX1 SFG 1.45455
4 5DX8 SFG 1.45455
5 2V2V V12 1.47601
6 9LDT NAD 1.81818
7 9LDB NAD 1.81818
8 1TDF FAD 1.81818
9 1ZGD NAP 1.81818
10 3GU3 SAH 1.81818
11 1DL5 SAH 1.81818
12 3PT9 SAH 2.18182
13 3EPW JMQ 2.18182
14 1MVN PCO 2.39234
15 1MVN FMN 2.39234
16 5EWK P34 2.5
17 1QPR PPC 2.54545
18 4JYD SAH 2.54545
19 2NLI FMN 2.54545
20 5KOK SAH 2.54545
21 1QPR PHT 2.54545
22 5GWT SIN 2.54545
23 1ZH8 NAP 2.54545
24 1U7Z PMT 2.65487
25 5AVF TAU 2.72374
26 4JGP PYR 2.76498
27 5GM9 CBK 2.8169
28 2Q8M AMP 2.90909
29 4LWP SAH 2.90909
30 4IDT T28 2.90909
31 5JFL NAD 2.90909
32 4BLW SAH 2.90909
33 5MQ5 ASP 2.90909
34 4LZJ 22H 2.90909
35 3FJO FMN 2.90909
36 3KMZ EQO 3.00752
37 1ZEM NAD 3.05344
38 3BQF SSM 3.09278
39 3A1S GDP 3.10078
40 1LYX PGA 3.22581
41 1V7C HEY 3.27273
42 1P3D UMA 3.27273
43 5OJI NAP 3.46154
44 3K0T BGC 3.4965
45 3A7R LAQ 3.63636
46 1J0D 5PA 3.63636
47 1XPK CAA 3.63636
48 4P5E N6P 3.94737
49 4OIV XX9 3.9823
50 2GLX NDP 4
51 1UM0 FMN 4
52 1B63 ANP 4
53 1KYQ NAD 4.0146
54 2CJW GDP 4.16667
55 2C6Q NDP 4.36364
56 4LY9 1YY 4.36364
57 4LY9 S6P 4.36364
58 4GJ3 0XP 4.36364
59 3HQP OXL 4.36364
60 2WQP WQP 4.36364
61 4IPE ANP 4.36364
62 5YFT RI2 4.36364
63 3Q9T FAY 4.36364
64 4NNB OAA 4.36364
65 1TKK ALA GLU 4.36364
66 5FUB SAH 4.36364
67 4XO8 KGM 4.43038
68 4C5N PXL 4.72727
69 4C5N ACP 4.72727
70 5LRT ADP 4.72727
71 4Y30 SAH 5.09091
72 4Y30 49L 5.09091
73 4A22 TD4 5.09091
74 3X27 TRP 5.09091
75 2BEK ATP 5.44747
76 1VEM GLC GLC 5.45455
77 2GQS ADP 5.48523
78 5ZJ5 NAI 5.55556
79 2CJF RP4 5.73248
80 2PTZ PAH 5.81818
81 2PID YSA 5.81818
82 5V2J 7WV 5.81818
83 5V2J UDP 5.81818
84 4UUG PXG 5.81818
85 4POJ 2VP 6.06061
86 4M8E 29V 6.06061
87 5KD6 6C7 6.18182
88 5UCD NAP 6.18182
89 2WME NAP 6.18182
90 2WOX NDP 6.18182
91 4B7P 9UN 6.52174
92 5FWA J7C 6.54545
93 3WQD PLP 999 6.54545
94 5BZ4 COA 6.54545
95 3GAY P6T 6.54545
96 2FWP ICR 6.55738
97 2JBM SRT 6.90909
98 5MW4 5JU 6.90909
99 6A9F 9BF 7.17489
100 1RC0 KT5 7.17703
101 3ORF NAD 7.56972
102 1PVN MZP 7.71277
103 3U2U UDP 7.98479
104 1OFD FMN 8
105 3R7F CP 8
106 2G50 PYR 8.36364
107 1LL2 UPG 8.36364
108 5KUT GDP 8.46561
109 1AG9 FMN 9.14286
110 5ULP KB1 9.32836
111 3C2O NTM 9.45455
112 3WBF API 9.45455
113 6HH6 A3R 9.45455
114 1DJN ADP 9.45455
115 1NME 159 9.78261
116 2XB8 XNW 10.274
117 1F06 NDP 10.5455
118 1F06 2NP 10.5455
119 4I9A NCN 11.2727
120 3H22 B53 11.2727
121 1JIL 485 12
122 5E9G GLV 13.4545
123 2E5A LAQ 13.4545
124 4GQB 0XU 14.1818
125 1IYB 5GP 14.9038
126 6C4A PYR 14.9091
127 1IGW PYR 16
128 2A5F NAD 16.5803
129 1WG8 SAM 16.7273
130 3IWD M2T 17.7419
131 3GD4 FAD 18.1818
132 4BV6 FAD 18.5455
133 1KBJ FMN 19.6364
134 1DCP HBI 20.1923
135 3M0J OAF 29.4545
136 1O5Q PYR 35.2727
137 1XG4 ICT 35.6364
138 2DUA OXL 36
Pocket No.: 2; Query (leader) PDB : 2ZE3; Ligand: AKG; 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: 2ze3.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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