Receptor
PDB id Resolution Class Description Source Keywords
1OIK 2.06 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK, A NON-HEME FE(II) ALPHAKETOGLUTARATE DEPENDENT DIOXYGENASE IN COMPLEX W ITH FE, ALPHAKETOGLUTARATE AND 2-ETHYL-1-HEXANESULFURIC AC ID PSEUDOMONAS PUTIDA OXIDOREDUCTASE JELLY ROLL
Ref.: CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK: INSIGHTS INTO THE CATALYTIC MECHANISM OF THE FE(II) ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE SUPERFAMILY BIOCHEMISTRY V. 42 3075 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1301;
D:1300;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
C26 A:1300;
D:1301;
Valid;
Valid;
none;
none;
submit data
210.291 C8 H18 O4 S CCCC[...
FE2 A:1302;
D:1302;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OIK 2.06 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK, A NON-HEME FE(II) ALPHAKETOGLUTARATE DEPENDENT DIOXYGENASE IN COMPLEX W ITH FE, ALPHAKETOGLUTARATE AND 2-ETHYL-1-HEXANESULFURIC AC ID PSEUDOMONAS PUTIDA OXIDOREDUCTASE JELLY ROLL
Ref.: CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK: INSIGHTS INTO THE CATALYTIC MECHANISM OF THE FE(II) ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE SUPERFAMILY BIOCHEMISTRY V. 42 3075 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1OII - AKG C5 H6 O5 C(CC(=O)O)....
2 1OIK - C26 C8 H18 O4 S CCCC[C@@H]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1OII - AKG C5 H6 O5 C(CC(=O)O)....
2 1OIK - C26 C8 H18 O4 S CCCC[C@@H]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OS7 - TAU C2 H7 N O3 S C(CS(=O)(=....
2 1OTJ - TAU C2 H7 N O3 S C(CS(=O)(=....
3 1GY9 - TAU C2 H7 N O3 S C(CS(=O)(=....
4 1OII - AKG C5 H6 O5 C(CC(=O)O)....
5 1OIK - C26 C8 H18 O4 S CCCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Ligand no: 2; Ligand: C26; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 C26 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OIK; Ligand: C26; Similar sites found: 280
This union binding pocket(no: 1) in the query (biounit: 1oik.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.00412 0.46508 None
2 1UO5 PIH 0.005483 0.45834 None
3 1PTR PRB 0.00151 0.45096 None
4 1JAC AMG 0.02419 0.41516 None
5 2B7N NTM 0.004978 0.41511 0.732601
6 1Q6O LG6 0.001798 0.40265 0.925926
7 1T26 NAI 0.04422 0.40735 0.996678
8 1T26 GBD 0.04422 0.40735 0.996678
9 1I2B UPG 0.02963 0.42337 1.3289
10 1I2B NAD 0.02963 0.42337 1.3289
11 1I2B USQ 0.02963 0.42337 1.3289
12 1TDF NAP 0.02285 0.41133 1.3289
13 2WQP WQP 0.003566 0.40847 1.3289
14 3EW2 BTN 0.001937 0.42078 1.48148
15 1DXY COI 0.001619 0.46624 1.66113
16 4OYA 1VE 0.005722 0.44824 1.66113
17 2GWD GLU 0.001171 0.42939 1.66113
18 1XMV ADP 0.01231 0.41164 1.66113
19 2JFV FLC 0.001804 0.44031 1.71821
20 1CBF SAH 0.0007338 0.41622 1.75439
21 1Y7P RIP 0.0005444 0.46308 1.79372
22 9LDT OXM 0.004909 0.45112 1.99336
23 2C7G ODP 0.002647 0.44121 1.99336
24 3L24 GOA 0.006908 0.43511 1.99336
25 4BXF AKG 0.0001406 0.43221 1.99336
26 1SOW NAD 0.002339 0.42231 1.99336
27 1I0Z OXM 0.01929 0.41298 1.99336
28 2C7G FAD 0.01426 0.41192 1.99336
29 2ZJ3 G6P 0.001711 0.40979 1.99336
30 3P7I P7I 0.005347 0.40839 1.99336
31 2PTZ PAH 0.001256 0.40808 1.99336
32 3IL6 B83 0.002506 0.40387 1.99336
33 3ZGJ RMN 0.01907 0.40281 1.99336
34 1Y9Q MED 0.002798 0.43196 2.08333
35 3SQG COM 0.01133 0.43231 2.15054
36 1C1L GAL BGC 0.001277 0.45427 2.18978
37 2XVE FAD 0.001507 0.45586 2.32558
38 1RZM PEP 0.00141 0.43202 2.32558
39 4O1M NAD 0.001267 0.42968 2.32558
40 1SQ5 PAU 0.003903 0.41398 2.32558
41 1RZM E4P 0.0168 0.40328 2.32558
42 1QS8 IVA VAL VAL STA ALA STA 0.0008508 0.4022 2.32558
43 1P72 THM 0.008507 0.40014 2.32558
44 4TMK T5A 0.008898 0.40019 2.34742
45 2YBQ UP2 0.003453 0.42066 2.39726
46 4KGM ATP 0.003557 0.4008 2.44898
47 3H7J PPY 0.00309 0.42316 2.46914
48 1EYE PMM 0.0002865 0.44131 2.5
49 1UW1 ADP 0.002317 0.42915 2.5
50 2BZ1 TAU 0.001956 0.48263 2.55102
51 3ZGE ASP 0.002933 0.44528 2.65781
52 2Q09 DI6 0.0007034 0.43813 2.65781
53 3PUR 2HG 0.01035 0.41956 2.65781
54 1YHM AHD 0.005521 0.4132 2.65781
55 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01222 0.40332 2.65781
56 2EFJ SAH 0.002329 0.40092 2.65781
57 1XHL NDP 0.004579 0.4112 2.6936
58 4LSJ LSJ 0.0006322 0.42729 2.71318
59 3HQR OGA 0.0005619 0.43979 2.84553
60 3DGB MUC 0.0006672 0.42772 2.87958
61 2OYS FMN 0.003209 0.4019 2.89256
62 2IUW AKG 0.00007718 0.46086 2.94118
63 5EQU AKG 0.0000005601 0.62111 2.99003
64 1DRY AAG 0.000004847 0.56577 2.99003
65 3IHB TRS 0.0005527 0.50706 2.99003
66 3MAG 3MA 0.001452 0.47844 2.99003
67 3IHB GLU 0.001181 0.45581 2.99003
68 2C5S AMP 0.001228 0.42859 2.99003
69 1Z45 GAL 0.002086 0.42509 2.99003
70 2Q8C AKG 0.008032 0.4204 2.99003
71 1ZED PNP 0.007486 0.41932 2.99003
72 4M51 BEZ 0.01073 0.41857 2.99003
73 4CCK OGA 0.0003083 0.413 2.99003
74 2YFT DQR 0.001198 0.4088 2.99003
75 1E2S CSN 0.002011 0.40534 2.99003
76 1CKN GTP 0.006423 0.40021 2.99003
77 4B16 NAG 0.003313 0.45994 3.00752
78 3OIG IMJ 0.004741 0.41185 3.00752
79 3OIG NAD 0.01934 0.40844 3.00752
80 3QP6 HL6 0.002512 0.40187 3.01887
81 4FGC PQ0 0.008287 0.40574 3.0303
82 1XX4 BAM 0.01948 0.41277 3.06513
83 3LTW HLZ 0.006635 0.41552 3.21429
84 1Y1A GSH 0.01329 0.44033 3.27869
85 3F81 STT 0.007672 0.43285 3.27869
86 2B82 ADN 0.001071 0.41905 3.31754
87 2C4I BTN 0.001381 0.40665 3.32103
88 2Z9V PXM 0.0001822 0.46826 3.32226
89 2C31 ADP 0.003175 0.44768 3.32226
90 2C31 TZD 0.003505 0.44648 3.32226
91 3ZPG 5GP 0.004833 0.44278 3.32226
92 1PEA ACM 0.003544 0.44139 3.32226
93 3TFC PEP 0.001016 0.43783 3.32226
94 3QV9 QV7 0.003454 0.42182 3.32226
95 3U1T MLI 0.008796 0.41612 3.32226
96 4GYW UDP 0.005665 0.40767 3.32226
97 1GU3 BGC BGC BGC BGC BGC 0.008454 0.40025 3.3557
98 3KMT SAH 0.001215 0.4132 3.36134
99 4GJY OGA 0.004055 0.43798 3.40426
100 4N7C AEF 0.0002146 0.48946 3.40909
101 2Q1A 2KT 0.004068 0.42484 3.41297
102 4Q3F TLA 0.005732 0.41831 3.4188
103 4EXO PYR 0.005991 0.43059 3.42466
104 4F8L GAL 0.0099 0.44439 3.44828
105 1TUV VK3 0.01863 0.41373 3.50877
106 1V2X SAM 0.002977 0.4012 3.60825
107 1KC7 PPR 0.0008383 0.46258 3.65448
108 2VDJ HSE 0.005683 0.43167 3.65448
109 1R37 NAD 0.002588 0.42315 3.65448
110 4IOK ADP 0.00297 0.41142 3.65448
111 3NKS ACJ 0.00158 0.4046 3.65448
112 3IB9 BTN 0.02146 0.40124 3.65448
113 3IOI 1GW 0.002996 0.41822 3.69128
114 2Q37 3AL 0.003176 0.42336 3.8674
115 1UXG FUM 0.001974 0.43235 3.8835
116 1UXG NAD 0.001974 0.43235 3.8835
117 4J25 OGA 0.00002241 0.55367 3.93013
118 4WBD ADP 0.003378 0.43506 3.98671
119 4WBD CIT 0.005995 0.43057 3.98671
120 1T10 F6P 0.007995 0.4064 3.98671
121 1O68 KIV 0.003798 0.41446 4
122 1NZY BCA 0.006132 0.40114 4.08922
123 1H8G CHT 0.03898 0.4118 4.21053
124 2OFD NGA 0.00244 0.43456 4.22535
125 2OFE NAG 0.004674 0.42219 4.22535
126 1Y2W NAG 0.01149 0.40504 4.22535
127 2WCV FUC 0.00419 0.40755 4.28571
128 4O8A 2OP 0.002284 0.45886 4.31894
129 2FCU AKG 0.00004756 0.44515 4.31894
130 4KCT PYR 0.001536 0.42475 4.31894
131 4IVG ANP 0.01444 0.40805 4.31894
132 1JGS SAL 0.04321 0.40932 4.34783
133 3R51 MMA 0.003653 0.44878 4.375
134 2CSN CKI 0.002804 0.41081 4.3771
135 3QP4 HL0 0.001881 0.40196 4.3956
136 1U7Z PMT 0.004013 0.41462 4.42478
137 2O66 FLC 0.006815 0.40933 4.44444
138 3NNF AKG 0.0000005595 0.49495 4.65116
139 3K5X P8D 0.0001628 0.45659 4.65116
140 1RYI GOA 0.01066 0.43862 4.65116
141 3BK2 U5P 0.0005085 0.43209 4.65116
142 2NLI LAC 0.005603 0.43078 4.65116
143 2NLI FMN 0.005173 0.43078 4.65116
144 3OPT AKG 0.01817 0.40445 4.65116
145 4NPL AKG 0.0001706 0.42728 4.8
146 1T3D CYS 0.01864 0.40121 4.84429
147 2VQ5 LDP 0.006319 0.43702 4.97512
148 2VQ5 HBA 0.01376 0.40724 4.97512
149 1KOL NAD 0.001415 0.43567 4.98339
150 2Q8H TF4 0.01046 0.42618 4.98339
151 2YVF FAD 0.01926 0.40917 4.98339
152 2YVF NAD 0.01994 0.40917 4.98339
153 2GJ3 FAD 0.002695 0.40644 5
154 3EJ0 11X 0.005526 0.41045 5.10204
155 3CBG FER 0.02284 0.40932 5.17241
156 3HZL 6PC 0.004747 0.44316 5.31561
157 3P3N AKG 0.005989 0.43035 5.31561
158 2Y0I AKG 0.009209 0.42094 5.31561
159 4B7E OGA 0.01045 0.41803 5.31561
160 2WA4 069 0.007379 0.41 5.31561
161 2NVK NAP 0.007122 0.4033 5.31561
162 1OGD RIP 0.0009621 0.43879 5.34351
163 4OCT AKG 0.0001493 0.49495 5.40541
164 1M1B SPV 0.002369 0.42874 5.42373
165 2XI7 XI7 0.01602 0.43299 5.43478
166 3TKA CTN 0.006407 0.45158 5.4755
167 2EB5 OXL 0.01027 0.40718 5.61798
168 1E7S NAP 0.0009777 0.43673 5.64784
169 1ODM ASV 0.004241 0.42584 5.64784
170 2W8Q SIN 0.006423 0.42235 5.64784
171 2BO4 FLC 0.007307 0.41979 5.64784
172 2OWZ CIT 0.00745 0.41331 5.64784
173 4ME6 ADP 0.007924 0.40656 5.64784
174 1B55 4IP 0.00243 0.40238 5.91716
175 2CKM AA7 0.001621 0.43893 5.98007
176 3KYF 5GP 5GP 0.0009313 0.42767 6.06061
177 3I6B KDO 0.007569 0.40222 6.11111
178 2BOI MFU 0.00455 0.41126 6.19469
179 4K30 NLG 0.008282 0.40062 6.25
180 2XDQ MGX 0.006216 0.43737 6.31229
181 4LHM AZZ 0.002311 0.4292 6.31229
182 3KV5 OGA 0.02191 0.40756 6.31229
183 1PX8 XYP 0.01003 0.40222 6.31229
184 3KV4 OGA 0.02165 0.40163 6.31229
185 1ZZ7 S0H 0.003544 0.41569 6.56566
186 3SCH TB6 0.01018 0.40735 6.56566
187 2Q3M MLA 0.005882 0.43856 6.64452
188 3I51 45C 0.002416 0.40702 6.66667
189 3BHO B4P 0.02542 0.41405 6.73077
190 3S9K CIT 0.005416 0.45613 6.77966
191 5FIT AP2 0.000921 0.4028 6.80272
192 2DTX BMA 0.004293 0.42021 6.81818
193 4INB 1F6 0.001188 0.41546 6.84932
194 4COQ SAN 0.00473 0.42197 6.88259
195 1PR9 NAP 0.006509 0.40658 6.96721
196 1A5Z OXM 0.01169 0.41681 6.97674
197 4B9E FAH 0.01438 0.40636 6.97674
198 1SS4 GSH 0.001067 0.50229 7.18954
199 1SS4 CIT 0.03782 0.44403 7.18954
200 1GP6 SIN 0.002399 0.43727 7.30897
201 1GP6 QUE 0.002599 0.43727 7.30897
202 4W6Z ETF 0.0116 0.42395 7.30897
203 2ZJ5 ADP 0.006081 0.41143 7.30897
204 3E81 SLB 0.001511 0.43699 7.31707
205 1V7R CIT 0.008589 0.43854 7.52688
206 1Y75 NAG 0.005272 0.4036 7.62712
207 2X2T GAL NGA 0.003764 0.44814 7.84314
208 4OJ8 AKG 0.000003018 0.51807 7.84983
209 4OJ8 2TQ 0.000003918 0.49472 7.84983
210 1Q3Q ANP 0.0128 0.41456 7.97342
211 1FIQ FAD 0.004698 0.41319 7.97342
212 1GSA ADP 0.001794 0.41284 7.97342
213 4HZO COA 0.007848 0.40158 7.97342
214 4HZD COA 0.009315 0.40285 8.15603
215 1GJW GLC 0.005389 0.42582 8.30565
216 2VAR KDF 0.002086 0.40939 8.30565
217 2ZE3 AKG 0.005046 0.41486 8.36364
218 1NX4 AKG 0.000001503 0.5018 8.42491
219 1BTN I3P 0.001435 0.49693 8.49057
220 1ULE GLA GAL NAG 0.005504 0.43233 8.66667
221 3L6R MLI 0.006114 0.42333 8.9701
222 3ZS7 ATP 0.0007961 0.42563 9
223 4A6F SEP 0.006716 0.44407 9.16667
224 2QLX RM4 0.01481 0.40578 9.25926
225 4JCA CIT 0.02258 0.41673 9.58084
226 4P7X AKG 0.0009241 0.44452 9.58904
227 1O9U ADZ 0.001443 0.4687 9.63455
228 3UER BTU 0.0001006 0.45814 9.63455
229 3UER TUR 0.0001006 0.45814 9.63455
230 1UF5 CDT 0.0007033 0.43233 9.63455
231 2HFK E4H 0.003656 0.41514 9.63455
232 2F2U M77 0.002052 0.41456 9.63455
233 1A59 CIT 0.01299 0.40838 9.63455
234 1QO0 BMD 0.002 0.43835 9.69388
235 1AX2 NDG GAL 0.005696 0.40727 10.0418
236 1H8P PC 0.002951 0.45336 10.0917
237 1A5V Y3 0.00138 0.43865 10.1266
238 3KJQ B94 0.0002869 0.44129 10.3659
239 2ET1 GLV 0.02027 0.40203 10.4478
240 2WGC SIA GAL BGC 0.02794 0.41976 10.5263
241 4AF5 CIT 0.00663 0.41553 10.5263
242 2E1A MSE 0.0008082 0.43575 10.6667
243 3GM5 CIT 0.003299 0.42882 10.6918
244 1H16 PYR 0.002662 0.44727 10.9635
245 1WGC SIA GAL BGC 0.00674 0.44399 11.1111
246 2W3L DRO 0.02263 0.40953 11.1111
247 2ZWS PLM 0.0006034 0.51032 11.2957
248 1XE7 GUN 0.0037 0.44851 11.33
249 4CCN OGA 0.0003288 0.49314 11.4286
250 4LO6 SIA GAL 0.0101 0.41653 11.5789
251 1WTC ACP 0.01412 0.40673 11.6279
252 4RJK PYR 0.02238 0.40336 11.6279
253 1NP0 NGT 0.001386 0.44532 12.069
254 3RF4 FUN 0.00148 0.43117 12.069
255 1BGQ RDC 0.001018 0.42869 12.4444
256 1SC3 MLI 0.01264 0.41518 13.6364
257 3AVS OGA 0.0008008 0.42333 13.9535
258 2XK9 XK9 0.004109 0.41543 14.2857
259 2YD6 FLC 0.00002134 0.60447 14.6226
260 2XRH NIO 0.01567 0.40467 15
261 1T57 FMN 0.001454 0.41615 15.0485
262 1H2M OGA 0.004984 0.43482 15.3846
263 2YLD CMO 0.002414 0.43477 15.748
264 1NML CIT 0.007992 0.40125 16.2791
265 4IGQ THR M3L GLN 0.00568 0.41131 16.9435
266 3QDY CBS 0.002828 0.43857 17.4825
267 3QDY A2G GAL 0.005039 0.43415 17.4825
268 3QDT A2G GAL 0.00607 0.43031 17.4825
269 3QDW NDG 0.00728 0.41987 17.4825
270 2ALG DAO 0.007914 0.40659 18.4783
271 1ECM TSA 0.002922 0.41373 19.2661
272 1H2K OGA 0.004466 0.43749 19.5122
273 4CCO OGA 0.001001 0.46723 20
274 4BG1 IVL 0.00003175 0.51727 20.9302
275 3CH5 GDP 0.002847 0.40438 21.1538
276 1OGZ EQU 0.00274 0.405 21.6
277 2FOI JPA 0.002456 0.41158 23.3333
278 3AVR OGA 0.0004837 0.48554 27.2727
279 4GQB 0XU 0.02101 0.40287 27.2727
280 2V5E SCR 0.04169 0.40277 30.6931
Pocket No.: 2; Query (leader) PDB : 1OIK; Ligand: AKG; Similar sites found: 326
This union binding pocket(no: 2) in the query (biounit: 1oik.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JAC AMG 0.01122 0.41464 None
2 1UO5 PIH 0.0172 0.41392 None
3 2B7N NTM 0.00265 0.40339 0.732601
4 1T26 GBD 0.003356 0.49182 0.996678
5 1T26 NAI 0.003356 0.49182 0.996678
6 4IS0 GDS 0.007673 0.41479 1.24481
7 4IS0 1R4 0.01454 0.40948 1.24481
8 1TDF FAD 0.003938 0.46308 1.3289
9 1TDF NAP 0.01273 0.45228 1.3289
10 1I2B USQ 0.01761 0.43633 1.3289
11 1I2B NAD 0.01761 0.43633 1.3289
12 1I2B UPG 0.01761 0.43633 1.3289
13 2WQP WQP 0.007625 0.42833 1.3289
14 1FP1 HCC 0.01194 0.40819 1.3289
15 1DXY COI 0.0008144 0.46006 1.66113
16 1XMV ADP 0.01782 0.43391 1.66113
17 1V1A ADP 0.01064 0.42435 1.66113
18 1V1A KDG 0.006016 0.42423 1.66113
19 3PUA OGA 0.002474 0.4223 1.66113
20 1HEX NAD 0.01327 0.41857 1.66113
21 2GWD GLU 0.0006764 0.40405 1.66113
22 4F2Q QUS 0.001217 0.44538 1.93798
23 2X61 NGA GAL SIA 0.03087 0.42538 1.93798
24 2X61 CH 0.04278 0.40621 1.93798
25 4UOH ADP 0.005598 0.40915 1.98676
26 4BXF AKG 0.00003747 0.52651 1.99336
27 2C7G FAD 0.005172 0.46369 1.99336
28 3L24 GOA 0.001107 0.45384 1.99336
29 3UDZ ADP 0.00422 0.44207 1.99336
30 2C7G ODP 0.01493 0.43992 1.99336
31 2ZJ3 G6P 0.003213 0.43549 1.99336
32 1SOW NAD 0.007895 0.43417 1.99336
33 2PTZ PAH 0.002533 0.43386 1.99336
34 1CL2 PPG 0.004079 0.43086 1.99336
35 3IL6 B83 0.01509 0.40542 1.99336
36 2ZYF AKG 0.001058 0.40305 1.99336
37 9LDT OXM 0.02095 0.40127 1.99336
38 4DVE BTN 0.001888 0.43199 2.0202
39 3O03 NAP 0.02117 0.4078 2.06186
40 1Y9Q MED 0.003261 0.40974 2.08333
41 3SQG COM 0.004902 0.43231 2.15054
42 1C1L GAL BGC 0.0002819 0.46196 2.18978
43 1IS3 LAT 0.0005277 0.43069 2.22222
44 2PYU IMP 0.006536 0.40052 2.28311
45 1FDJ 2FP 0.001153 0.44386 2.32558
46 1NW5 SAM 0.002256 0.44235 2.32558
47 1P72 THM 0.0001496 0.43977 2.32558
48 4O1M NAD 0.005672 0.43839 2.32558
49 3ZDS HMQ 0.01133 0.40656 2.32558
50 3ZDS HQ9 0.01145 0.40184 2.32558
51 2YBQ SAH 0.001618 0.44879 2.39726
52 2YBQ UP2 0.03405 0.40825 2.39726
53 1H9G COA MYR 0.01269 0.41811 2.46914
54 3H7J PPY 0.0002979 0.41163 2.46914
55 2BZ1 TAU 0.006009 0.43758 2.55102
56 2QDT I38 0.002462 0.4344 2.60223
57 2BLE 5GP 0.005573 0.46423 2.65781
58 3ZGE ASP 0.0006031 0.45653 2.65781
59 2HGZ PBF 0.002229 0.44976 2.65781
60 3TXO 07U 0.001786 0.43815 2.65781
61 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01066 0.43649 2.65781
62 2EFJ SAH 0.002557 0.43586 2.65781
63 4C0C WVH 0.01425 0.43396 2.65781
64 1GAD NAD 0.006438 0.43172 2.65781
65 2J7T 274 0.012 0.42191 2.65781
66 3UH0 TSB 0.009175 0.42015 2.65781
67 3PUR 2HG 0.003454 0.41729 2.65781
68 1B9I PXG 0.01219 0.41453 2.65781
69 2H8H H8H 0.0173 0.40907 2.65781
70 3AHC TPP 0.02657 0.40695 2.65781
71 1RQH PYR 0.003488 0.40073 2.65781
72 3IO3 ADP 0.01775 0.4005 2.65781
73 2OZE AGS 0.007427 0.41737 2.68456
74 1XHL NDP 0.01922 0.41592 2.6936
75 4LSJ LSJ 0.001083 0.45856 2.71318
76 1NN5 ANP 0.0041 0.44497 2.7907
77 1NN5 2DT 0.0041 0.44497 2.7907
78 3HQR OGA 0.00003361 0.53991 2.84553
79 3DGB MUC 0.00004861 0.42092 2.87958
80 2OYS FMN 0.001413 0.45338 2.89256
81 2IUW AKG 0.000005481 0.5744 2.94118
82 1T8U UAP SGN IDS SGN 0.04029 0.40658 2.94118
83 1DRY AAG 0.000002656 0.62463 2.99003
84 5EQU AKG 0.0000001237 0.62111 2.99003
85 2A1X AKG 0.00002373 0.49565 2.99003
86 4CCK OGA 0.0001563 0.48803 2.99003
87 4N02 FNR 0.003407 0.4704 2.99003
88 2IMP NAI 0.007811 0.46655 2.99003
89 1KBJ FMN 0.002177 0.45185 2.99003
90 3IHB TRS 0.002422 0.44662 2.99003
91 5EQU 5R6 0.000003712 0.43228 2.99003
92 4DXJ 0M9 0.002248 0.42874 2.99003
93 3CL7 HYN 0.008531 0.42314 2.99003
94 2AMV BIN 0.02902 0.4226 2.99003
95 2Q8C AKG 0.003501 0.4204 2.99003
96 2YBP 2HG 0.004955 0.41778 2.99003
97 3MAG 3MA 0.01155 0.41403 2.99003
98 3Q3C NAD 0.04974 0.4122 2.99003
99 2OS2 OGA 0.007026 0.40962 2.99003
100 1VBH PEP 0.00445 0.40748 2.99003
101 2WE5 ADP 0.0106 0.40447 2.99003
102 4M51 BEZ 0.009557 0.40289 2.99003
103 3OIG IMJ 0.001429 0.47039 3.00752
104 4B16 NAG 0.002791 0.4443 3.00752
105 3OIG NAD 0.03788 0.42211 3.00752
106 1WUR 8DG 0.01218 0.41297 3.18182
107 1VR0 3SL 0.004585 0.41283 3.23887
108 1Y1A GSH 0.004189 0.4455 3.27869
109 2B82 ADN 0.003769 0.43425 3.31754
110 2C4I BTN 0.001329 0.44612 3.32103
111 1WVG CXY 0.0002301 0.49081 3.32226
112 1WVG APR 0.001149 0.46457 3.32226
113 2PT9 S4M 0.001527 0.45891 3.32226
114 2C31 TZD 0.01057 0.45702 3.32226
115 2I4O ATP 0.000501 0.45664 3.32226
116 2C31 ADP 0.012 0.4536 3.32226
117 2HGS ADP 0.00159 0.45294 3.32226
118 2PT9 2MH 0.004037 0.45032 3.32226
119 1IYE PGU 0.006521 0.43684 3.32226
120 3ZPG 5GP 0.003737 0.42915 3.32226
121 2XUM OGA 0.002829 0.42791 3.32226
122 4GYW UDP 0.0118 0.42594 3.32226
123 5T0A A3P 0.003888 0.41983 3.32226
124 2HGS GSH 0.005976 0.41532 3.32226
125 3U1T MLI 0.00453 0.41033 3.32226
126 4HVK PMP 0.008614 0.40119 3.32226
127 2GDZ NAD 0.01728 0.41575 3.37079
128 3TA2 AKG 0.01701 0.41483 3.38983
129 4G10 GSH 0.007733 0.4126 3.39623
130 3N5O GSH 0.0009076 0.45789 3.40426
131 4GJY OGA 0.001704 0.43798 3.40426
132 4N7C AEF 0.0001514 0.47351 3.40909
133 2Q1A 2KT 0.001764 0.42072 3.41297
134 4EXO PYR 0.006077 0.4117 3.42466
135 1II5 GLU 0.003581 0.41141 3.43348
136 4F8L GAL 0.001326 0.47144 3.44828
137 4DL8 UMP AF3 PO4 0.01626 0.40397 3.44828
138 1TUV VK3 0.01009 0.40896 3.50877
139 1SBZ FMN 0.01218 0.42529 3.5533
140 2H6B 3C4 0.008327 0.45261 3.6
141 1V2X SAM 0.001472 0.45063 3.60825
142 1R37 NAD 0.001629 0.46898 3.65448
143 3DAG FEG 0.005199 0.43452 3.65448
144 1KC7 PPR 0.002281 0.4231 3.65448
145 2WM1 13P 0.004463 0.41048 3.65448
146 2VDJ HSE 0.009207 0.40362 3.65448
147 4IOK ADP 0.02797 0.40218 3.65448
148 3IOI 1GW 0.03227 0.40523 3.69128
149 1R0X ATP 0.02877 0.40869 3.84615
150 1UXG FUM 0.003475 0.45793 3.8835
151 1UXG NAD 0.03305 0.41672 3.8835
152 4J25 OGA 0.00000346 0.55291 3.93013
153 1UBY DMA 0.0007889 0.45837 3.98671
154 3DDN HPV 0.00043 0.4497 3.98671
155 1X54 4AD 0.002859 0.44483 3.98671
156 4LIT AKG 0.001511 0.44392 3.98671
157 1XNK XS2 0.01289 0.40284 4.08163
158 1NZY BCA 0.01245 0.41985 4.08922
159 3P0K FAD 0.01175 0.41368 4.13534
160 3QQA TCH 0.01546 0.40827 4.16667
161 1H8G CHT 0.01718 0.41394 4.21053
162 3VPD ANP 0.0001066 0.50373 4.27046
163 3MBG FAD 0.001499 0.45927 4.31655
164 2FCU AKG 0.00000749 0.56198 4.31894
165 1R27 MGD 0.008069 0.43827 4.31894
166 4G1V FAD 0.04155 0.43449 4.31894
167 4IVG ANP 0.006438 0.42716 4.31894
168 1OTH PAO 0.01915 0.416 4.31894
169 4C6F DOR 0.0003848 0.40749 4.31894
170 4C6F NCD 0.0003848 0.40749 4.31894
171 4KCT PYR 0.0008083 0.40457 4.31894
172 3JQQ A2P 0.04976 0.40222 4.31894
173 1JGS SAL 0.02108 0.40932 4.34783
174 2CSN CKI 0.01048 0.42052 4.3771
175 1U7Z PMT 0.004638 0.44627 4.42478
176 3NNF AKG 0.0000001474 0.6425 4.65116
177 2NLI FMN 0.0139 0.44287 4.65116
178 1GQG DCD 0.01173 0.42469 4.65116
179 4LNL 2BK 0.0103 0.40714 4.65116
180 4LNL 2BO 0.0103 0.40714 4.65116
181 2AEB ABH 0.03565 0.40477 4.65116
182 3OPT AKG 0.005761 0.40445 4.65116
183 1RYI GOA 0.03528 0.40199 4.65116
184 5YAS FAC 0.002792 0.42472 4.66926
185 3U5S FAD 0.008167 0.41914 4.7619
186 4NPL AKG 0.00003298 0.52946 4.8
187 1UZN NAP 0.009251 0.40918 4.8583
188 2HMT NAI 0.03641 0.41619 4.86111
189 2VQ5 LDP 0.0009266 0.45744 4.97512
190 2VQ5 HBA 0.002609 0.4206 4.97512
191 2YVF FAD 0.006028 0.46321 4.98339
192 2YVF NAD 0.006218 0.46321 4.98339
193 2Q8H TF4 0.0007164 0.46266 4.98339
194 4R33 SAH 0.006225 0.44024 4.98339
195 4R33 TRP 0.006225 0.44024 4.98339
196 1KOL NAD 0.009454 0.43498 4.98339
197 1PFK ADP 0.01304 0.40263 4.98339
198 1RY2 AMP 0.02847 0.40049 4.98339
199 2GJ3 FAD 0.004786 0.44249 5
200 3SAO NKN 0.0189 0.40369 5
201 2PWY SAH 0.01065 0.41721 5.03876
202 3W21 AKG 0.0003163 0.45643 5.12821
203 3CBG 4FE 0.003768 0.43792 5.17241
204 3H86 AP5 0.03158 0.41813 5.20833
205 1TU3 GNP 0.01329 0.41579 5.26316
206 3P3N AKG 0.002113 0.43577 5.31561
207 3HZL 6PC 0.00419 0.42683 5.31561
208 2Y0I AKG 0.002714 0.42081 5.31561
209 4B7E OGA 0.003048 0.41887 5.31561
210 2WA4 069 0.001153 0.40543 5.31561
211 1PL6 572 0.03457 0.40488 5.31561
212 4C1K PEP 0.00412 0.41195 5.34351
213 4OCT AKG 0.000007624 0.49466 5.40541
214 1M1B SPV 0.0006075 0.42661 5.42373
215 3TKA CTN 0.009246 0.41677 5.4755
216 2EB5 OXL 0.004375 0.40449 5.61798
217 1ODM ASV 0.001282 0.47598 5.64784
218 4DQ2 BTX 0.005491 0.43772 5.64784
219 1E7S NAP 0.0205 0.41459 5.64784
220 2W8Q SIN 0.007155 0.40181 5.64784
221 2BO4 FLC 0.007688 0.40047 5.64784
222 3ZW2 NAG GAL FUC 0.009907 0.41101 5.74713
223 1UWZ THU 0.004726 0.42198 5.88235
224 2CKM AA7 0.01157 0.43572 5.98007
225 3PJU C2E 0.01922 0.40976 6.0241
226 3I6B KDO 0.0009553 0.40797 6.11111
227 1P9P SAH 0.008842 0.41927 6.13027
228 1OMZ UD2 0.01086 0.43887 6.14334
229 2XBP ATP 0.02437 0.4237 6.19469
230 2Q97 ATP 0.002145 0.44707 6.20155
231 2XDQ MGX 0.005054 0.42302 6.31229
232 4LWA Q13 0.02682 0.41612 6.31229
233 4CYI ATP 0.02095 0.40868 6.31229
234 3KV5 OGA 0.0108 0.4067 6.31229
235 1Y8O ADP 0.008713 0.40353 6.31229
236 3KV4 OGA 0.007412 0.40055 6.31229
237 2G36 TRP 0.0007183 0.44043 6.64452
238 4AQL TXC 0.008738 0.4123 6.64452
239 3BHO B4P 0.01003 0.41704 6.73077
240 3S9K CIT 0.01655 0.419 6.77966
241 5FIT AP2 0.000401 0.46363 6.80272
242 2DTX BMA 0.004551 0.45336 6.81818
243 4INB 1F6 0.001506 0.45018 6.84932
244 4COQ SAN 0.001644 0.42198 6.88259
245 1PR9 NAP 0.0005399 0.4903 6.96721
246 1P9B HDA 0.002466 0.40279 6.97674
247 1SS4 GSH 0.01403 0.42041 7.18954
248 4USQ FAD 0.001671 0.46845 7.30897
249 1GP6 QUE 0.002078 0.46456 7.30897
250 1GP6 SIN 0.001942 0.46456 7.30897
251 4W6Z ETF 0.002243 0.43951 7.30897
252 1VJT NAD 0.004115 0.43069 7.30897
253 1V7R CIT 0.004984 0.43196 7.52688
254 1Y75 NAG 0.001043 0.40295 7.62712
255 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01105 0.41489 7.65957
256 3PY5 AMP 0.003296 0.42884 7.66423
257 3DCM SAM 0.007785 0.41831 7.8125
258 2X2T GAL NGA 0.005413 0.42162 7.84314
259 4OJ8 AKG 0.0000005077 0.4713 7.84983
260 4OJ8 2TQ 0.0000006422 0.45137 7.84983
261 2AZ3 CDP 0.001862 0.42645 7.92683
262 1GSA ADP 0.005717 0.45598 7.97342
263 1FIQ FAD 0.005286 0.44478 7.97342
264 1FIQ SAL 0.005899 0.44013 7.97342
265 1Q3Q ANP 0.02106 0.43378 7.97342
266 1FIQ MTE 0.02189 0.41092 7.97342
267 1GSA GSH 0.04006 0.40935 7.97342
268 2VAR AMP 0.0003499 0.4078 8.30565
269 1NX4 AKG 0.0000001647 0.64361 8.42491
270 2YCJ C2F 0.002443 0.43223 8.48709
271 1BTN I3P 0.002847 0.45624 8.49057
272 2B9H ADP 0.02508 0.40481 8.63787
273 4NG2 OHN 0.01909 0.41361 8.84956
274 2DKH FAD 0.0008931 0.48001 8.9701
275 4NES UDP 0.003194 0.4316 8.9701
276 2DKH 3HB 0.01964 0.4227 8.9701
277 4NES UD1 0.007482 0.41722 8.9701
278 3ZS7 ATP 0.001246 0.45773 9
279 1A69 FMB 0.01738 0.4406 9.2437
280 3IB8 AMP 0.005317 0.41753 9.30233
281 4BT5 23B 0.008574 0.40127 9.33852
282 2F7C CCU 0.004583 0.40695 9.44206
283 3ZLM ANP 0.005144 0.42446 9.57447
284 4P7X AKG 0.00006313 0.53049 9.58904
285 3FED BIX 0.00203 0.44028 9.63455
286 1HFA PIO 0.0007953 0.49106 9.68858
287 1H8P PC 0.001133 0.45336 10.0917
288 3H22 B53 0.004125 0.41745 10.101
289 1L1Q 9DA 0.003134 0.43597 10.2151
290 3BLI ACO 0.002002 0.44843 10.299
291 3BLI PYR 0.00148 0.4155 10.299
292 2J0W ADP 0.01468 0.40231 10.299
293 1YAG ATP 0.01947 0.40524 10.4
294 2ET1 GLV 0.006885 0.40127 10.4478
295 4AF5 CIT 0.002358 0.41553 10.5263
296 4HGP KDO 0.02666 0.41238 10.5556
297 2V7T SAH 0.007579 0.47132 10.7023
298 3V1U NAD 0.001539 0.45875 10.9635
299 2W1A TSA 0.004152 0.41733 11.1111
300 3BL6 FMC 0.002536 0.4381 11.3043
301 4CCN OGA 0.0001281 0.49202 11.4286
302 4RJK PYR 0.00514 0.44108 11.6279
303 1BGQ RDC 0.002347 0.45191 12.4444
304 1NHK CMP 0.02905 0.40392 12.5
305 3OZG SSI 0.005507 0.41907 12.8
306 1OFH ADP 0.01027 0.42094 12.9568
307 3K56 IS3 0.0006839 0.45626 13.1579
308 1BXG NAD 0.04129 0.40007 13.289
309 1SC3 MLI 0.003281 0.42367 13.6364
310 3AVS OGA 0.0001073 0.50495 13.9535
311 4BMO FMN 0.002219 0.45147 14.2857
312 2XK9 XK9 0.009984 0.43167 14.2857
313 2YD6 FLC 0.0156 0.41393 14.6226
314 4UBP HAE 0.002957 0.43805 14.8515
315 1T57 FMN 0.01112 0.41476 15.0485
316 4M2K PLP 0.006059 0.40769 15.2824
317 1H2M OGA 0.002048 0.43717 15.3846
318 4IGQ OGA 0.0006542 0.43135 16.9435
319 4IGQ THR M3L GLN 0.006903 0.43135 16.9435
320 4J7H TLO 0.01338 0.41987 18.2724
321 1H2K OGA 0.001889 0.43746 19.5122
322 4CCO OGA 0.0002527 0.45754 20
323 4BG1 IVL 0.00005478 0.54333 20.9302
324 3AVR OGA 0.0001043 0.48499 27.2727
325 2Q8E OGA 0.004033 0.42103 37.5
326 4QXB OGA 0.001432 0.45753 40
Pocket No.: 3; Query (leader) PDB : 1OIK; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1oik.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1OIK; Ligand: C26; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1oik.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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