-->
Receptor
PDB id Resolution Class Description Source Keywords
2FCU 1.6 Å EC: 7.-.-.- SYRB2 WITH ALPHA-KETOGLUTARATE PSEUDOMONAS SYRINGAE MONONUCLEAR IRON CUPIN HALOGENASE BIOSYNTHETIC PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE NON-HAEM IRON HALOGENASE S SYRINGOMYCIN BIOSYNTHESIS. NATURE V. 440 368 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:897;
B:898;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
DSU A:896;
Invalid;
none;
submit data
496.546 C22 H40 O12 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FCU 1.6 Å EC: 7.-.-.- SYRB2 WITH ALPHA-KETOGLUTARATE PSEUDOMONAS SYRINGAE MONONUCLEAR IRON CUPIN HALOGENASE BIOSYNTHETIC PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE NON-HAEM IRON HALOGENASE S SYRINGOMYCIN BIOSYNTHESIS. NATURE V. 440 368 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2FCV - AKG C5 H6 O5 C(CC(=O)O)....
2 2FCU - AKG C5 H6 O5 C(CC(=O)O)....
3 2FCT - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2FCV - AKG C5 H6 O5 C(CC(=O)O)....
2 2FCU - AKG C5 H6 O5 C(CC(=O)O)....
3 2FCT - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2FCV - AKG C5 H6 O5 C(CC(=O)O)....
2 2FCU - AKG C5 H6 O5 C(CC(=O)O)....
3 2FCT - AKG C5 H6 O5 C(CC(=O)O)....
4 3GJB - 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 : 2FCU; Ligand: AKG; Similar sites found with APoc: 242
This union binding pocket(no: 1) in the query (biounit: 2fcu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2NNQ T4B None
2 5BVT PAM None
3 4M26 ZZU 1.27796
4 4M26 SIN 1.27796
5 4M26 AKG 1.27796
6 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 1.27796
7 2JDR L20 1.27796
8 3VPC ADP 1.41844
9 2WBP SIN 1.59744
10 2WBP ZZU 1.59744
11 5FP3 3JI 1.59744
12 6F6D AKG 1.59744
13 6FUL E7Z 1.59744
14 3AVR OGA 1.59744
15 5MZI FAD 1.59744
16 5MZI FYK 1.59744
17 4CLI 5P8 1.59744
18 3KAL ADP 1.59744
19 5GWT SIN 1.59744
20 5GWT NAD 1.59744
21 5HV0 AKG 1.84332
22 4GCZ FMN 1.91693
23 2PCU ASP 1.96721
24 4IE6 UN9 2.23642
25 3SQP FAD 2.23642
26 2XXP DSL 2.23642
27 5ZTN CUR 2.23642
28 3PQB VGP 2.23642
29 5KD6 6C7 2.23642
30 6EOZ 58K 2.27273
31 6EOZ AKG 2.27273
32 1OGX EQU 2.29008
33 3WDX BGC BGC GLC 2.34899
34 4RFR RHN 2.46305
35 5C3R HMU 2.55591
36 5C3R AKG 2.55591
37 3KV4 OGA 2.55591
38 5UQD AKG 2.55591
39 5KF6 TFB 2.55591
40 5KF6 FAD 2.55591
41 1YKD CMP 2.55591
42 5ZM4 AKG 2.61438
43 5ZM4 9FU 2.61438
44 2BPM 529 2.64151
45 6F4T OGA 2.7451
46 2X34 UQ8 2.76243
47 2E56 MYR 2.77778
48 2X32 OTP 2.7933
49 6FXR AKG 2.8754
50 3N9P OGA 2.8754
51 3N9O OGA 2.8754
52 3N9Q OGA 2.8754
53 3WVR AMP 2.8754
54 5Y4K AKR 2.8754
55 5C4L 4XR 2.8754
56 2X3J ATP 2.8754
57 1P0Z FLC 3.05344
58 3P7N FMN 3.10078
59 1OS7 AKG 3.18021
60 1OS7 TAU 3.18021
61 1GP6 QUE 3.19489
62 1GP6 DH2 3.19489
63 1GP6 SIN 3.19489
64 3PUA OGA 3.19489
65 5IQT AKG 3.19489
66 5IQT 6CU 3.19489
67 2WKQ FMN 3.19489
68 3ZDS M8O 3.19489
69 3OZ2 OZ2 3.19489
70 3ZDS OMD 3.19489
71 3KV5 OGA 3.19489
72 5FLJ QUE 3.22581
73 4O9S 2RY 3.25581
74 4MLO PAM 3.26087
75 3FW4 CAQ 3.37079
76 6GBV FMN 3.42466
77 5I0U DCY 3.5
78 6EXF LYS 3.51438
79 4YRD 3IT 3.51438
80 1OPK P16 3.51438
81 3SCH TB6 3.53535
82 1ZZ7 S0H 3.53535
83 5FPX GLY SER SER HIS HIS HIS HIS HIS 3.53982
84 2JIG PD2 3.57143
85 5UC4 83S 3.63636
86 2C49 ADN 3.64238
87 5SVV FMN 3.64964
88 3MPB FRU 3.65854
89 1J3R 6PG 3.68421
90 2A1L PCW 3.7037
91 4IAW LIZ 3.7234
92 5FWJ MMK 3.83387
93 1TIW FAD 3.83387
94 1TIW TFB 3.83387
95 3T1A 5MA 3.83387
96 5VAD 91Y 3.83387
97 3ETH ATP 3.83387
98 5YBL AKG 3.83387
99 1UNB PN1 3.85852
100 1UNB AKG 3.85852
101 2QM9 TDZ 3.87097
102 1KGI T4A 3.93701
103 4NPL AKG 4
104 1QY1 PRZ 4.02299
105 5M0T AKG 4.08163
106 2OG7 SIN 4.15335
107 1U6R ADP 4.15335
108 2WYA HMG 4.15335
109 5KR7 6X9 4.15335
110 5L4S 6KX 4.15335
111 5L4S NAP 4.15335
112 3RGA LSB 4.24028
113 1OIK AKG 4.31894
114 1OIK C26 4.31894
115 1OIJ AKG 4.31894
116 5IXH OTP 4.34783
117 3SAO NKN 4.375
118 5N0L ILE 4.40252
119 2TPS TPS 4.40529
120 5LUN OGA 4.47284
121 5LUN ARG 4.47284
122 5FP4 YC8 4.47284
123 2AMV BIN 4.47284
124 4BG4 ADP 4.47284
125 5VC5 96M 4.49827
126 4BVM VCA 4.51128
127 4BVM PLM 4.51128
128 5LDQ NAP 4.51977
129 3WW2 SF6 4.6875
130 3WW2 LPK 4.6875
131 4ZU4 4TG 4.72973
132 4BJ8 BTN 4.7619
133 1DRY AAG 4.79233
134 1DRY AKG 4.79233
135 3H7J PPY 4.93827
136 4QAC KK3 5.06912
137 5N87 N66 5.11182
138 1A78 TDG 5.22388
139 5BVS EIC 5.30303
140 1FDQ HXA 5.34351
141 4IGQ THR M3L GLN 5.43131
142 4IGQ OGA 5.43131
143 5F3I 5UJ 5.43131
144 3OPT AKG 5.43131
145 5FWE OGA 5.43131
146 5LY2 OGA 5.43131
147 2Q8E OGA 5.43131
148 2OS2 OGA 5.43131
149 1OX5 1PR 5.43131
150 2P5B OGA 5.43131
151 6H8P OGA 5.43131
152 2YBP 2HG 5.43131
153 3W21 AKG 5.49451
154 5AIG VPR 5.6
155 5XEG AKG 5.62771
156 3ZW2 GLA NAG GAL FUC 5.74713
157 3ZW2 NAG GAL FUC 5.74713
158 4OCT AKG 5.85586
159 5IXG OTP 5.91716
160 3EW2 BTN 5.92593
161 3P3N AKG 6.07029
162 1H2K OGA 6.07029
163 1H2M OGA 6.07029
164 5JWP AKG 6.07029
165 2XUM OGA 6.07029
166 2Y0I AKG 6.07029
167 4B7E OGA 6.07029
168 5O9W AKG 6.07029
169 2WA4 069 6.07029
170 5C5T AKG 6.14035
171 2WPU KYT 6.28931
172 4CCK OGA 6.38978
173 4Y3O OGA 6.38978
174 4CCO OGA 6.38978
175 1ZOA 140 6.38978
176 4AZ3 S35 6.45161
177 3E2M E2M 6.48649
178 4XCB HY0 6.51341
179 4XCB AKG 6.51341
180 1QIN GIP 6.55738
181 1ODM ASV 6.70927
182 5Y72 DST 6.70927
183 5J6A P46 6.70927
184 6F6J CUW 7.34824
185 6F6J SIN 7.34824
186 5UWA 8ND 7.38916
187 4J25 OGA 7.42358
188 6HDT BTN 7.5188
189 2IHT TPP 7.66773
190 1UPA TPP 7.66773
191 4JX1 CAH 7.66773
192 2YMZ LAT 7.69231
193 2BS5 BGC GAL FUC 7.77778
194 4P7X AKG 7.87671
195 4P7X YCP 7.87671
196 3MTX PGT 7.94702
197 2IUW AKG 7.98319
198 1VYF OLA 8.14815
199 3L9R L9R 8.16327
200 4NAO AKG 8.30671
201 2GC0 PAN 8.51064
202 5IVE 6E8 8.6262
203 4QXB OGA 8.82353
204 3E85 BSU 8.86076
205 5DKK FMN 8.96552
206 5D48 L96 9.21053
207 2Z6C FMN 9.30233
208 3VV1 GAL FUC 9.375
209 1NYW DAU 9.64467
210 5OX6 A1Z 9.92064
211 5L9B AKG 9.92064
212 5L9V OGA 9.92064
213 3HQR OGA 10.1626
214 5DG2 GAL GLC 10.3704
215 3BXO UPP 10.4603
216 2PR5 FMN 10.6061
217 3F5O UOC COA 10.8108
218 5V1B 8UY 10.8333
219 5A3T MMK 10.8626
220 3T50 FMN 10.9375
221 1N9L FMN 11.0092
222 1BGQ RDC 11.1111
223 4JZR 4JR 11.5741
224 1N5S ADL 12.5
225 6FWH 5LD 14.2132
226 3G08 FEE 15.1515
227 2D6M LBT 15.7233
228 5TFZ 7BC 16
229 4XAC AKG 17.0635
230 2V0U FMN 17.1233
231 4CCN OGA 17.1429
232 1LRH NLA 17.7914
233 4BG1 OGA 17.8914
234 4BG1 IVL 17.8914
235 5HZ9 5M8 19.2593
236 5EPA AKG 20.4473
237 4BXF AKG 21.0526
238 4WUJ FMN 21.7687
239 2RDQ AKG 22.9167
240 5YBN AKG 23.3227
241 3NNF AKG 23.6422
242 2A1X AKG 33.4416
Pocket No.: 2; Query (leader) PDB : 2FCU; Ligand: AKG; Similar sites found with APoc: 25
This union binding pocket(no: 2) in the query (biounit: 2fcu.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1MDC PLM None
2 1IA9 ANP 2.14286
3 2AG4 OLA 3.65854
4 2AG4 LP3 3.65854
5 4PFC 2QX 3.83387
6 1KDK DHT 3.9548
7 2CM4 RCL 4
8 3M3E GAL A2G NPO 4.34783
9 3WV6 GAL BGC 4.39189
10 2XIQ MLC 4.79233
11 1ZEM NAD 4.96183
12 3N0Y APC 5.02793
13 3HMO STU 5.11182
14 6GNF QPS 5.7508
15 2GJ5 VD3 6.17284
16 4CNO 9PY 6.34921
17 3VQ2 LP4 LP5 MYR DAO 7.66773
18 2ET1 GLV 8.95522
19 5JSP DQY 10.9453
20 3WUD GLC GAL 11.0294
21 1ZB6 DIN 14.3322
22 4WN5 MVC 15.6522
23 2Z6D FMN 16.1538
24 5DJU FMN 17.2414
25 4IJP 1EH 17.5719
APoc FAQ
Feedback