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Receptor
PDB id Resolution Class Description Source Keywords
3W21 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO ACID DIOX COMPLEX WITH ALPHA-KG FROM BURKHOLDERIA AMBIFARIA AMMD BURKHOLDERIA AMBIFARIA DSBH FOLD DIOXYGENASE ZN ALPHA-KG BINDING OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO DIOXYGENASE FROM BURKHOLDERIA AMBIFARIA AMMD PLOS ONE V. 8 63996 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:301;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
AKG A:302;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W21 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO ACID DIOX COMPLEX WITH ALPHA-KG FROM BURKHOLDERIA AMBIFARIA AMMD BURKHOLDERIA AMBIFARIA DSBH FOLD DIOXYGENASE ZN ALPHA-KG BINDING OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A NOVEL N-SUBSTITUTED L-AMINO DIOXYGENASE FROM BURKHOLDERIA AMBIFARIA AMMD PLOS ONE V. 8 63996 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3W21 - 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 3W21 - 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 3W21 - 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 : 3W21; Ligand: AKG; Similar sites found with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 3w21.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4PSB GA3 None
2 4KYK IMN None
3 1QIN GIP None
4 5A0R ACE GLU VAL ASN PRO 1.0101
5 6FUL E7Z 1.8315
6 4UF0 MMK 1.8315
7 3AVR OGA 1.8315
8 4BXF AKG 1.8315
9 4KYS VIB 1.8315
10 1OJJ GLC GAL 1.8315
11 1OJK GLC BGC 1.8315
12 5ZM4 9FU 1.8315
13 5ZM4 AKG 1.8315
14 2A1X AKG 2.1978
15 2XMY CDK 2.1978
16 3IU9 T07 2.1978
17 4WOE ADP 2.1978
18 4QM9 CYS 2.31214
19 2FTB OLA 2.4
20 4RFR RHN 2.46305
21 4IE6 UN9 2.5641
22 5F3I 5UJ 2.5641
23 1HG4 LPP 2.5641
24 5LY2 OGA 2.5641
25 2YBP 2HG 2.5641
26 5KR7 6X9 2.5641
27 5FWE OGA 2.5641
28 5QIN J2V 2.5641
29 6H8P OGA 2.5641
30 2P5B OGA 2.5641
31 2Q8E OGA 2.5641
32 4CCK OGA 2.5641
33 5YU3 NAD 2.5641
34 5YU3 PRO 2.5641
35 4Y3O OGA 2.5641
36 4XCB HY0 2.68199
37 4XCB AKG 2.68199
38 6F4T OGA 2.7451
39 5HV0 AKG 2.76498
40 3CAQ NDP 2.9304
41 5KD6 6C7 2.9304
42 3OPT AKG 2.9304
43 5YJI 8WO 2.9304
44 5YJI SAH 2.9304
45 2RDQ AKG 2.9304
46 5NCJ SIN 2.98507
47 5I0U DCY 3
48 2JIG PD2 3.125
49 3T50 FMN 3.125
50 1GT4 UNA 3.14465
51 1WUR 8DG 3.18182
52 4P7X YCP 3.2967
53 4P7X AKG 3.2967
54 5JSP DQY 3.48259
55 3MPB FRU 3.65854
56 6FXR AKG 3.663
57 5DEY 59T 3.663
58 3LVW GSH 3.663
59 1YKD CMP 3.663
60 3SAO NKN 3.75
61 2IUW AKG 3.78151
62 3E2M E2M 3.78378
63 2VQ5 HBA 3.9801
64 4BCS BTN 4
65 5O9W AKG 4.0293
66 4RW3 IPD 4.0293
67 1ZOA 140 4.0293
68 5XEG AKG 4.329
69 5C3R HMU 4.37318
70 5C3R AKG 4.37318
71 1GP6 QUE 4.3956
72 1GP6 DH2 4.3956
73 1GP6 SIN 4.3956
74 4L9I 8PR 4.3956
75 1NFQ NAI 4.61538
76 1ODM ASV 4.7619
77 2FXU ATP 4.7619
78 4FG8 ATP 4.7619
79 1LNM DTX 4.8913
80 5FP3 3JI 5.12821
81 1OIK AKG 5.12821
82 1OIK C26 5.12821
83 6F6D AKG 5.12821
84 1OIJ AKG 5.12821
85 6EOZ AKG 5.12821
86 6EOZ 58K 5.12821
87 4BG1 OGA 5.12821
88 4BG1 IVL 5.12821
89 5TZO 7V7 5.31915
90 4QXB OGA 5.49451
91 1OS7 TAU 5.49451
92 1OS7 AKG 5.49451
93 2FCU AKG 5.49451
94 5GUB NGA GCD 5.49451
95 2C1Q BTN 5.55556
96 1YRO GDU 5.69106
97 6A63 LAT 5.7971
98 1UNB PN1 5.86081
99 1UNB AKG 5.86081
100 2OVW CBI 5.86081
101 6EXF LYS 5.86081
102 4K3H 1OM 5.9322
103 5OX6 A1Z 6.34921
104 3HQR OGA 6.50407
105 5C5T AKG 6.57895
106 5YBL AKG 6.59341
107 1FDQ HXA 6.87023
108 2WA4 069 6.95971
109 3KV4 OGA 6.95971
110 4B7E OGA 6.95971
111 5JWP AKG 6.95971
112 3P3N AKG 6.95971
113 2XUM OGA 6.95971
114 4OJ8 2TQ 6.95971
115 4OJ8 AKG 6.95971
116 2Y0I AKG 6.95971
117 2WBP SIN 6.95971
118 2WBP ZZU 6.95971
119 4QDF 30Q 7.32601
120 1LRH NLA 7.36196
121 4JZR 4JR 7.40741
122 1ERB ETR 7.65027
123 4H6B 10Y 7.69231
124 2ET1 GLV 7.9602
125 4AZP A9M 7.97101
126 5A3T MMK 8.05861
127 2HGS ADP 8.05861
128 1WBI BTN 9.30233
129 5NW7 9C2 9.52381
130 3PUR 2HG 10.6227
131 3N9O OGA 10.6227
132 3N9Q OGA 10.6227
133 3N9P OGA 10.6227
134 4OCT AKG 11.7117
135 1Y52 BTN 11.9048
136 4NPL AKG 12
137 1DRY AAG 12.4542
138 1DRY AKG 12.4542
139 4LA7 A1O 12.9534
140 1QFT HSM 13.1429
141 5VZ0 ADP 13.1868
142 1ZMT RNO 14.1732
143 5TFZ 7BC 14.6667
144 4M26 AKG 15.3846
145 1N5S ADL 16.0714
146 4NAO AKG 16.1172
147 5Y72 DST 16.1172
148 3FW4 CAQ 17.9775
149 3STK PLM 18.9394
150 1KGI T4A 19.685
151 1H2K OGA 21.9512
152 4CCN OGA 25.7143
153 1H2M OGA 28.8462
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