Receptor
PDB id Resolution Class Description Source Keywords
3SAO 1.8 Å NON-ENZYME: BINDING THE SIDEROCALIN EX-FABP FUNCTIONS THROUGH DUAL LIGAND SPECIF GALLUS GALLUS BETA-BARREL SIDEROPHORE BINDING PROTEIN TRANSPORT PROTEIN
Ref.: GALLINE EX-FABP IS AN ANTIBACTERIAL SIDEROCALIN AND LYSOPHOSPHATIDIC ACID SENSOR FUNCTIONING THROUGH DU SPECIFICITIES. STRUCTURE V. 19 1796 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DBH B:162;
Valid;
none;
submit data
154.12 C7 H6 O4 c1cc(...
FE B:163;
Invalid;
none;
submit data
55.845 Fe [Fe+3...
GOL B:164;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NKN A:161;
B:161;
Valid;
Valid;
none;
none;
submit data
382.429 C17 H35 O7 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SAO 1.8 Å NON-ENZYME: BINDING THE SIDEROCALIN EX-FABP FUNCTIONS THROUGH DUAL LIGAND SPECIF GALLUS GALLUS BETA-BARREL SIDEROPHORE BINDING PROTEIN TRANSPORT PROTEIN
Ref.: GALLINE EX-FABP IS AN ANTIBACTERIAL SIDEROCALIN AND LYSOPHOSPHATIDIC ACID SENSOR FUNCTIONING THROUGH DU SPECIFICITIES. STRUCTURE V. 19 1796 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3SAO - NKN C17 H35 O7 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3SAO - NKN C17 H35 O7 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3SAO - NKN C17 H35 O7 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DBH; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DBH 1 1
2 FE DBH DBH 0.575758 0.6875
3 SAL 0.5 0.869565
4 3HA 0.485714 0.625
5 GRE 0.4375 0.875
6 PHT 0.433333 0.625
7 PYG 0.428571 0.869565
8 RVE 0.418605 0.733333
Ligand no: 2; Ligand: NKN; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 NKN 1 1
2 NKP 0.833333 0.976744
3 PGM 0.672414 0.888889
4 LPC 0.645161 0.732143
5 LAP 0.645161 0.732143
6 LP3 0.645161 0.732143
7 GYM 0.627451 0.681818
8 LPP 0.610169 0.953488
9 3PH 0.610169 0.953488
10 7PH 0.610169 0.953488
11 6PH 0.610169 0.953488
12 7P9 0.6 0.953488
13 S12 0.571429 0.803922
14 42H 0.56338 0.719298
15 PD7 0.55 0.953488
16 CD4 0.545455 0.953488
17 OLC 0.533333 0.666667
18 OLB 0.533333 0.666667
19 M7U 0.529412 0.953488
20 PX2 0.52381 0.886364
21 CDL 0.514706 0.863636
22 MVC 0.508197 0.666667
23 PGT 0.507246 0.911111
24 LHG 0.507246 0.911111
25 CN6 0.5 0.953488
26 TGL 0.5 0.651163
27 8PE 0.492754 0.788462
28 PTY 0.492754 0.788462
29 CN5 0.492754 0.931818
30 PEH 0.492754 0.788462
31 PEF 0.492754 0.788462
32 PEV 0.492754 0.788462
33 78M 0.491803 0.666667
34 44E 0.491803 0.953488
35 78N 0.491803 0.666667
36 L2C 0.491525 0.659091
37 DDR 0.491525 0.659091
38 DGA 0.491525 0.659091
39 CN3 0.486486 0.953488
40 9PE 0.485714 0.788462
41 PVC 0.483871 0.659574
42 P5S 0.472222 0.803922
43 PEE 0.464789 0.773585
44 HGX 0.452055 0.696429
45 PC7 0.452055 0.696429
46 HGP 0.452055 0.696429
47 PLD 0.452055 0.696429
48 6PL 0.452055 0.696429
49 LIO 0.452055 0.696429
50 PGW 0.448718 0.891304
51 PGV 0.443038 0.891304
52 DR9 0.443038 0.891304
53 PII 0.44 0.8
54 LBR 0.439394 0.644444
55 P6L 0.4375 0.891304
56 PGK 0.4375 0.854167
57 L9Q 0.435897 0.773585
58 LOP 0.435897 0.773585
59 AGA 0.432432 0.869565
60 OZ2 0.432099 0.891304
61 PIF 0.428571 0.82
62 ZPE 0.425 0.773585
63 PIZ 0.425 0.836735
64 DGG 0.421687 0.854167
65 P3A 0.421687 0.851064
66 3PE 0.418919 0.711538
67 IP9 0.4125 0.836735
68 52N 0.4125 0.82
69 PIO 0.4125 0.82
70 2JT 0.410714 0.659091
71 G2A 0.410714 0.659091
72 44G 0.408451 0.911111
73 MC3 0.407895 0.654545
74 PCF 0.407895 0.654545
75 PC1 0.407895 0.654545
76 XP5 0.405405 0.696429
77 PEK 0.404762 0.773585
78 PCW 0.402439 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SAO; Ligand: DBH; Similar sites found: 253
This union binding pocket(no: 1) in the query (biounit: 3sao.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4P 0SB 0.0002189 0.57085 None
2 4U0I 0LI 0.0004037 0.52869 None
3 4TW7 37K 0.0009607 0.49828 None
4 4MOB ADP 0.000008653 0.49625 None
5 5ML3 DL3 0.01099 0.44663 None
6 2J9D ADP 0.005215 0.44392 None
7 4USI ATP 0.005875 0.44272 None
8 2J9D AMP 0.005139 0.43969 None
9 5CLO NS8 0.0004596 0.43727 None
10 2J9C ATP 0.01321 0.42878 None
11 4J6W CTP 0.02465 0.42259 None
12 3BJK CIT 0.02173 0.42088 None
13 3UXL CFI 0.02625 0.41975 None
14 3QP8 HL0 0.01163 0.41578 None
15 3LF0 ATP 0.01714 0.41427 None
16 5FUI APY 0.004683 0.41297 None
17 3R96 ACO 0.03413 0.40988 None
18 3R96 AMP 0.03413 0.40988 None
19 2XBP ATP 0.03306 0.40696 None
20 3H22 B53 0.01441 0.40637 None
21 2W9S TOP 0.01599 0.40078 None
22 4MZQ 1VU 0.02995 0.4 None
23 3EFS BTN 0.0009076 0.48162 1.71674
24 3G08 FEE 0.0000608 0.59333 1.875
25 1S4M LUM 0.001752 0.48845 1.875
26 3DNT ATP 0.004585 0.4577 1.875
27 5UIU 8CG 0.0112 0.43584 1.875
28 1Y7P RIP 0.002112 0.42769 1.875
29 4DQ2 BTX 0.01138 0.42209 1.875
30 4IEN GDP 0.00001976 0.4139 1.875
31 4B0T ADP 0.0002565 0.51703 2.5
32 4BVA T3 0.00473 0.47037 2.5
33 4I53 1C1 0.001892 0.45923 2.5
34 1PJS SAH 0.008348 0.43459 2.5
35 2IUW AKG 0.003605 0.43008 2.5
36 1CBF SAH 0.01004 0.42539 2.5
37 1KZL CRM 0.00581 0.41638 2.5
38 2ET1 GLV 0.0009886 0.41597 2.5
39 1V3S ATP 0.0171 0.41554 2.58621
40 2WZ5 MET 0.0009237 0.40389 2.61438
41 4OYA 1VE 0.0009117 0.52461 3.125
42 1N07 FMN 0.002039 0.4943 3.125
43 3GD9 GLC BGC BGC BGC 0.0004681 0.49316 3.125
44 3D91 REM 0.02414 0.46809 3.125
45 3O9L LPN 0.007548 0.45413 3.125
46 1N07 ADP 0.004056 0.43696 3.125
47 3IES M24 0.01004 0.43299 3.125
48 1KZN CBN 0.008494 0.43008 3.125
49 1X54 4AD 0.01267 0.42917 3.125
50 4MO4 ACP 0.02453 0.4222 3.125
51 4LOO SB4 0.00000343 0.42035 3.125
52 5IUY BOG 0.01266 0.4161 3.125
53 1GP6 QUE 0.02402 0.41331 3.125
54 1GP6 SIN 0.02275 0.41331 3.125
55 2BRY FAD 0.04376 0.41175 3.125
56 5A6N U7E 0.02327 0.4064 3.125
57 2WN6 NDP 0.01538 0.405 3.125
58 4NFN 2KC 0.00002938 0.40254 3.125
59 2XVD AS6 0.00001969 0.60242 3.75
60 4XV1 904 0.0001731 0.55482 3.75
61 4ASE AV9 0.0002906 0.52744 3.75
62 5XDT ZI7 0.0002826 0.51369 3.75
63 4DSU BZI 0.00002114 0.49983 3.75
64 5JKG 6LF 0.001945 0.49642 3.75
65 2RCU BUJ 0.003167 0.47896 3.75
66 1WNG SAH 0.00284 0.46046 3.75
67 4L3L 5FI 0.003593 0.45732 3.75
68 5J75 6GQ 0.002827 0.44585 3.75
69 4UMX NAP 0.0366 0.4404 3.75
70 4UMX VVS 0.03731 0.4404 3.75
71 5F7V GLC GLC GLC GLC 0.009208 0.43411 3.75
72 2GTF P1R 0.00004632 0.43086 3.75
73 1I1E DM2 0.0004155 0.41991 3.75
74 1OG1 TAD 0.02074 0.40974 3.75
75 5XDT MB3 0.02152 0.40777 3.75
76 1XDY MTE 0.03508 0.40234 3.75
77 1HDC CBO 0.03265 0.40113 3.75
78 5HWV MBN 0.0001102 0.50938 3.84615
79 3ZO7 K6H 0.006988 0.42052 4.25532
80 2HK5 1BM 0.00009737 0.55394 4.375
81 5DYO FLU 0.00005684 0.47972 4.375
82 2E0N SAH 0.001806 0.46374 4.375
83 2DQU CPD 0.005091 0.45615 4.375
84 3B2Q ATP 0.005396 0.44364 4.375
85 1UMD TDP COI 0.009915 0.43846 4.375
86 2RGO FAD 0.0232 0.43494 4.375
87 3A7R LAQ 0.009882 0.43479 4.375
88 2X4Z X4Z 0.01163 0.43476 4.375
89 3TW1 AHN 0.0004659 0.42908 4.375
90 4USR FAD 0.03148 0.42288 4.375
91 5DX0 SFG 0.02909 0.41605 4.375
92 3VV1 GAL FUC 0.003604 0.41273 4.375
93 4GGL CJC 0.02324 0.41234 4.375
94 5DWQ SFG 0.02834 0.41214 4.375
95 3X0D SAH 0.02307 0.4076 4.375
96 5V1B 8UY 0.001119 0.40496 4.375
97 3IWJ NAD 0.01162 0.40397 4.375
98 5FPE 3TR 0.004382 0.40015 4.375
99 4K55 H6P 0.00002136 0.53564 4.83871
100 4OZJ ADP 0.002027 0.46481 4.8951
101 5H9Y BGC BGC BGC BGC 0.00004251 0.54682 5
102 2WEI VGG 0.0007173 0.49309 5
103 2VDF OCT 0.00003527 0.48731 5
104 2PNC CLU 0.0002168 0.4582 5
105 2BJU IH4 0.004558 0.45361 5
106 5EB4 FAD 0.01351 0.45214 5
107 2C94 TSF 0.00848 0.44635 5
108 1ZM1 BGC BGC BGC 0.006658 0.43525 5
109 2QCD U5P 0.01854 0.40143 5
110 1GS5 NLG 0.03256 0.4014 5
111 1EWJ BLM 0.005039 0.44843 5.55556
112 4USF 6UI 0.00006999 0.56447 5.625
113 2OFV 242 0.0002383 0.55467 5.625
114 5LRT ADP 0.00112 0.47625 5.625
115 1GQG DCD 0.002224 0.47412 5.625
116 5KJW 53C 0.0001256 0.46192 5.625
117 3E7O 35F 0.004087 0.46182 5.625
118 5EOB 5QQ 0.009486 0.45817 5.625
119 3UH0 TSB 0.002742 0.45753 5.625
120 2XK9 XK9 0.007077 0.45304 5.625
121 4PAB THG 0.003956 0.43861 5.625
122 3M3E GAL A2G NPO 0.002615 0.41976 5.625
123 3W68 VIV 0.01199 0.41556 5.625
124 3AKK ADP 0.01225 0.4136 5.625
125 3GRU AMP 0.02468 0.40473 5.625
126 3MTX PGT 0.001696 0.48414 5.96026
127 1M15 ARG 0.00002747 0.6067 6.25
128 1M15 ADP 0.00002747 0.6067 6.25
129 4CS4 ANP 0.0007002 0.51654 6.25
130 4CS4 AXZ 0.0009004 0.51654 6.25
131 4ZH7 FUC GAL NAG GAL FUC 0.001367 0.47285 6.25
132 4BV6 FAD 0.007953 0.46657 6.25
133 2YKL NLD 0.000003734 0.45436 6.25
134 4HWT 1B2 0.002843 0.44493 6.25
135 1M0W ANP 0.004684 0.44186 6.25
136 1EM6 CP4 0.04024 0.42702 6.25
137 3VQ2 LP4 LP5 MYR DAO 0.02203 0.42665 6.25
138 3Q60 ATP 0.008559 0.4228 6.25
139 4MLO PAM 0.0131 0.42265 6.25
140 3NTD FAD 0.03211 0.4196 6.25
141 3AAQ ARU 0.04192 0.41791 6.25
142 2EV9 NAP 0.03293 0.41318 6.25
143 3IU9 T07 0.02632 0.41012 6.25
144 2R09 4IP 0.01071 0.40784 6.25
145 4BG4 ADP 0.00001217 0.40659 6.25
146 4IJP 1EH 0.02662 0.40404 6.25
147 5MRH Q9Z 0.0007474 0.40156 6.25
148 5HES 032 0.00006478 0.56315 6.875
149 5VNF VAL THR SER VAL VAL 0.00005582 0.53274 6.875
150 3LVW GSH 0.001116 0.49331 6.875
151 3OV6 MK0 0.006559 0.45437 6.875
152 3TTZ 07N 0.002211 0.44963 6.875
153 5HV0 AKG 0.00401 0.44234 6.875
154 5D9G GLU ASN LEU TYR PHE GLN 0.0000487 0.44234 6.875
155 2HGS ADP 0.008169 0.44216 6.875
156 3TKI S25 0.01433 0.43902 6.875
157 2Q8E OGA 0.006967 0.43091 6.875
158 5DHU 5A8 0.03256 0.43022 6.875
159 5FJN BE2 0.03378 0.42567 6.875
160 5FJN FAD 0.03088 0.42567 6.875
161 1OFL NGK GCD 0.001838 0.42491 6.875
162 5FI4 5XV 0.01931 0.40654 6.875
163 2A9K NAD 0.0252 0.40381 6.875
164 5UKL SIX 0.003143 0.46106 7.5
165 3E9I XAH 0.005942 0.45757 7.5
166 2RDE C2E 0.00176 0.45362 7.5
167 4XMF HSM 0.0005072 0.44183 7.5
168 1RYD GLC 0.001312 0.42188 7.5
169 2DKH FAD 0.03317 0.42036 7.5
170 2DKH 3HB 0.04124 0.42036 7.5
171 3B82 NAD 0.01549 0.41988 7.5
172 2GVC FAD 0.0302 0.4126 7.5
173 3ZJX BOG 0.002516 0.40108 7.5
174 4KBA 1QM 0.0000043 0.47748 8.125
175 3VKX T3 0.0009402 0.4639 8.125
176 4NG2 OHN 0.002685 0.45988 8.125
177 3FW9 SLX 0.001938 0.4586 8.125
178 5A65 TPP 0.006754 0.43052 8.125
179 3JQ3 ADP 0.0000767 0.42699 8.125
180 2J3M PRI 0.02471 0.41438 8.125
181 4NST ADP 0.01666 0.41124 8.125
182 4ZTD ALA GLY ALA GLY ALA 0.004454 0.4065 8.125
183 2P1M IHP 0.01518 0.40561 8.125
184 2PWY SAH 0.02754 0.40401 8.125
185 2QHV OC9 0.0007259 0.40018 8.125
186 1NB9 ADP 0.003981 0.47625 8.16327
187 1NB9 RBF 0.003981 0.47625 8.16327
188 3QRC SCR 0.005396 0.43086 8.28025
189 1HXD BTN 0.000339 0.5155 8.75
190 2YBQ UP2 0.006772 0.46283 8.75
191 2YBQ SAH 0.003349 0.4576 8.75
192 1N4W FAD 0.02232 0.43849 8.75
193 3ZF8 GDP 0.002321 0.43543 8.75
194 1RE8 BD2 0.01778 0.43236 8.75
195 5COU ATP 0.009322 0.41731 8.75
196 1MJJ HAL 0.03508 0.40132 8.75
197 4WOE ADP 0.0000132 0.48912 9.375
198 4J7Q B7N 0.004224 0.46497 9.375
199 1BC5 ACE ASN TRP GLU THR PHE 0.0001576 0.42388 9.375
200 1RWQ 5AP 0.03819 0.41376 9.375
201 1QKQ MAN 0.00004251 0.49905 9.85915
202 2XIQ MLC 0.003467 0.46265 10
203 3A5Y KAA 0.005837 0.44323 10
204 4GJ3 0XP 0.01024 0.4379 10
205 2QCS ANP 0.02277 0.40807 10
206 3A5Z KAA 0.0279 0.40753 10
207 1REQ DCA 0.003573 0.47607 10.625
208 2B9W FAD 0.01959 0.44838 10.625
209 4GCZ FMN 0.006344 0.43673 10.625
210 5JNN 6LM 0.02696 0.41316 10.625
211 5ACM MBT 0.008939 0.40617 10.8108
212 4RYV ZEA 0.0002704 0.40607 10.9677
213 5U98 1KX 0.008613 0.46121 11.1111
214 4BTV RB3 0.007641 0.40338 11.25
215 1DZK PRZ 0.00003353 0.40409 11.465
216 3H0L ADP 0.0002643 0.41879 11.7021
217 2RKV COA 0.005546 0.45828 11.875
218 2RKV ZBA 0.006318 0.45828 11.875
219 3MJY IJZ 0.03738 0.40769 11.875
220 3MJY FMN 0.03738 0.40769 11.875
221 4XIZ LPP 0.0007326 0.51054 12.5
222 4PFC 2QX 0.00643 0.44749 12.5
223 2VVM FAD 0.04176 0.42195 12.5
224 5J8O 6GZ 0.0153 0.40603 12.9032
225 5JFS 6K0 0.009687 0.45514 13.125
226 1I8T FAD 0.0124 0.4444 13.125
227 1KGI T4A 0.00001113 0.59679 13.3858
228 1NCQ W11 0.0001027 0.53597 14.375
229 1OJZ NAD 0.0109 0.42118 14.375
230 3B6R ADP 0.000031 0.40522 14.375
231 3JU6 ANP 0.0000231 0.5411 15
232 4H2V AMP 0.0008363 0.48692 15
233 3MF2 AMP 0.02612 0.41013 15
234 3QXV MTX 0.0004388 0.49003 15.0794
235 1VRP ADP 0.0001385 0.51456 15.625
236 2HK9 SKM 0.004205 0.40016 15.625
237 4I54 1C1 0.004119 0.44931 16.25
238 5X7Q GLC GLC GLC GLC GLC 0.005731 0.41392 16.875
239 5X7Q GLC GLC GLC GLC 0.006713 0.40947 16.875
240 4L2I NAD 0.003051 0.47872 17.5
241 4L2I FAD 0.02346 0.42135 17.5
242 1H82 GZZ 0.03513 0.43766 18.125
243 4CNK FAD 0.03411 0.42738 18.75
244 5H2U 1N1 0.000008126 0.41107 18.75
245 3PE2 E1B 0.04065 0.41308 20
246 4IAW LIZ 0.00005941 0.42596 29.375
247 2G30 ALA ALA PHE 0.000001304 0.59462 30.625
248 3FW4 CAQ 0.00002932 0.5728 33.125
249 3CBC DBS 0.000005617 0.57163 33.125
250 1GT4 UNA 0.000008083 0.42513 33.3333
251 3KFF XBT 0.001006 0.40597 37.5
252 3KFF ZBT 0.001006 0.40597 37.5
253 1YKD CMP 0.0129 0.41369 38.125
Pocket No.: 2; Query (leader) PDB : 3SAO; Ligand: NKN; Similar sites found: 154
This union binding pocket(no: 2) in the query (biounit: 3sao.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ML3 DL3 0.001047 0.48459 None
2 4TW7 37K 0.0017 0.45999 None
3 1NYW DAU 0.001339 0.45403 None
4 4COQ SAN 0.003891 0.43509 None
5 4MP8 NAD 0.01271 0.42971 None
6 1Y9Q MED 0.004879 0.42946 None
7 4ZU5 THM 0.003637 0.42892 None
8 5KEW 6SB 0.005795 0.42411 None
9 4WN5 MVC 0.00007959 0.42377 None
10 5BVB DOG 0.0009926 0.42309 None
11 5FL5 82E 0.005545 0.41566 None
12 3BRN SRO 0.009327 0.41226 None
13 4J8T DOG 0.003695 0.40694 None
14 4B7P 9UN 0.04539 0.4068 None
15 4QM9 CYS 0.01423 0.40586 None
16 5I0U DCY 0.009332 0.40262 None
17 4XT2 43L 0.0004374 0.40095 None
18 3T7V MD0 0.01271 0.4051 1.25
19 3G08 FEE 0.007553 0.45395 1.875
20 1XE7 GUN 0.00329 0.43491 1.875
21 1Y7P RIP 0.00167 0.42779 1.875
22 5FBN 5WF 0.02914 0.40688 1.875
23 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA 0.01352 0.40364 1.875
24 1S4M LUM 0.02684 0.40159 1.875
25 4BVA T3 0.0119 0.43221 2.5
26 2Z5Y HRM 0.005822 0.41686 2.5
27 2YAB AMP 0.01393 0.40489 2.5
28 5FQK 6NT 0.01487 0.40445 2.5
29 3HVJ 705 0.0449 0.40107 2.5
30 4ZU4 4TG 0.00116 0.42051 2.7027
31 5JSP DQY 0.002727 0.43962 3.125
32 2WA4 069 0.002592 0.41922 3.125
33 4YZC STU 0.03123 0.4074 3.125
34 1UMZ BGC BGC XYS BGC XYS GAL 0.009177 0.40737 3.125
35 1GP6 QUE 0.01996 0.40672 3.125
36 1GP6 SIN 0.0187 0.40672 3.125
37 3K3K A8S 0.001306 0.40051 3.125
38 4B1L FRU 0.0006154 0.47313 3.75
39 2XMY CDK 0.02187 0.43446 3.75
40 4H6B 10X 0.003679 0.42643 3.75
41 1H4H XYP XYS XYP 0.002098 0.41225 3.75
42 4AZT LY2 0.006209 0.4109 3.75
43 5VGS 9A7 0.002587 0.40551 3.82166
44 3JRS A8S 0.002446 0.4453 3.84615
45 3BU1 HSM 0.002855 0.44447 4.05405
46 4QA8 PJZ 0.0006972 0.47568 4.375
47 4P7X AKG 0.000584 0.46914 4.375
48 4L4J NAG NAG BMA MAN NAG 0.001249 0.46322 4.375
49 1I82 BGC BGC 0.003802 0.4334 4.375
50 2FCU AKG 0.004756 0.42964 4.375
51 4P7X YCP 0.000584 0.42453 4.375
52 5BV3 M7G 0.009871 0.41214 4.375
53 2X4Z X4Z 0.02757 0.40812 4.375
54 3VV1 GAL FUC 0.0003104 0.40332 4.375
55 5H2D ERG 0.01928 0.40305 4.375
56 3AVR OGA 0.0174 0.40153 4.375
57 5A3T MMK 0.007348 0.43391 5
58 4EIP FAD 0.03122 0.41551 5
59 3AGC RCC 0.01564 0.41341 5
60 5CEO 50D 0.008928 0.41233 5
61 1ZM1 BGC BGC BGC 0.008373 0.41163 5
62 2AXR ABL 0.01245 0.41045 5
63 5T46 MGP 0.01859 0.40678 5
64 5H9P TD2 0.01009 0.41005 5.06329
65 1EWJ BLM 0.0127 0.42311 5.55556
66 3M3E GAL A2G NPO 0.0003293 0.49348 5.625
67 2YG2 S1P 0.00002634 0.44687 5.625
68 2XK9 XK9 0.00945 0.43316 5.625
69 4USF 6UI 0.002506 0.43189 5.625
70 3PUR 2HG 0.004869 0.42953 5.625
71 5W0N UPU 0.005394 0.42348 5.625
72 2YG2 FLC 0.0000354 0.42318 5.625
73 3E7O 35F 0.01323 0.42098 5.625
74 5KJW 53C 0.0104 0.41118 5.625
75 2OFV 242 0.03269 0.40535 5.625
76 5F2T PLM 0.0009941 0.40436 5.625
77 5EPA AKG 0.01376 0.40338 5.625
78 3W68 VIV 0.02214 0.40008 5.625
79 5FU3 BGC BGC BGC 0.006244 0.42178 5.66038
80 3MTX PGT 0.00731 0.4353 5.96026
81 5KWY C3S 0.002982 0.40334 6.01504
82 4N14 WR7 0.0004064 0.50442 6.25
83 5EPQ OLA 0.000219 0.44943 6.25
84 3VQ2 LP4 LP5 MYR DAO 0.008769 0.44203 6.25
85 1I7E IBS 0.006008 0.42601 6.25
86 4DE9 VTP 0.01669 0.41585 6.25
87 5HV0 AKG 0.001069 0.45183 6.875
88 3Q8G PEE 0.01147 0.44422 6.875
89 4X5S AZM 0.006291 0.42479 6.875
90 5HES 032 0.007763 0.42082 6.875
91 5F3I 5UJ 0.03198 0.4202 6.875
92 3LVW GSH 0.0201 0.41734 6.875
93 1DMY AZM 0.00387 0.41388 6.875
94 3PQB VGP 0.01357 0.40894 6.875
95 2OMN IPH 0.00951 0.40588 6.875
96 4FFG 0U8 0.002689 0.43507 7.5
97 3ZGJ RMN 0.0052 0.42427 7.5
98 4HN1 TYD 0.004639 0.41681 7.5
99 3ZJX BOG 0.0121 0.41249 7.5
100 4FFG LBS 0.003369 0.40865 7.5
101 2WQN ADP 0.004969 0.40704 7.5
102 4M69 ANP 0.01788 0.40139 7.5
103 3FW9 SLX 0.001757 0.44834 8.125
104 3KV5 OGA 0.01443 0.41099 8.125
105 3JQ3 ADP 0.009202 0.4029 8.125
106 3QRC SCR 0.001529 0.48506 8.28025
107 1MJJ HAL 0.008812 0.42297 8.75
108 2P7Q GG6 0.002889 0.42037 9.02256
109 4WOE ADP 0.0007759 0.46957 9.375
110 4J7Q B7N 0.008299 0.43605 9.375
111 4ZSI GLP 0.001247 0.42142 9.375
112 4XCB AKG 0.01006 0.4101 9.375
113 3KDJ A8S 0.001558 0.40181 9.375
114 1QKQ MAN 0.0004913 0.50606 9.85915
115 2XIQ MLC 0.009641 0.42665 10
116 4CLI 5P8 0.04206 0.40613 10
117 1U1J MET 0.0169 0.40012 10
118 4UEC MGT 0.01846 0.40388 10.2564
119 1REQ DCA 0.01031 0.43928 10.625
120 5JNN 6LM 0.006436 0.42816 10.625
121 3NMV PYV 0.01211 0.40398 10.625
122 4MA6 28E 0.004981 0.42519 10.828
123 4RYV ZEA 0.006574 0.40974 10.9677
124 5U98 1KX 0.004399 0.4557 11.1111
125 4QDC ASD 0.01178 0.40455 11.25
126 1DZK PRZ 0.0004912 0.43464 11.465
127 4XIZ LPP 0.0139 0.42228 12.5
128 3ML5 AZM 0.001519 0.41704 12.5
129 1KGI T4A 0.0004807 0.48363 13.3858
130 4U0W 16G 0.00231 0.40479 13.75
131 2CM4 RCL 0.000245 0.42098 14
132 1MEX RAC 0.006069 0.41136 14.375
133 3JU6 ANP 0.004924 0.40259 15
134 3BXO UPP 0.01063 0.40668 15.625
135 4OMJ 2TX 0.002958 0.45653 16.25
136 2HZQ STR 0.002999 0.43962 16.25
137 5NCF 8T5 0.01372 0.40345 16.8142
138 5X7Q ACR 0.0001278 0.47849 16.875
139 5X7Q GLC GLC GLC GLC GLC 0.008181 0.41988 16.875
140 5X7Q GLC GLC GLC GLC 0.01296 0.40827 16.875
141 4Q0L V14 0.01111 0.41797 17.5
142 3PE2 E1B 0.04253 0.40752 20
143 3KYF 5GP 5GP 0.008541 0.40442 22.5
144 5KOD IAC 0.007285 0.40822 23.125
145 3E8T UQ8 0.005854 0.46065 28.75
146 4IAW LIZ 0.0005642 0.4595 29.375
147 3FW4 CAQ 0.01493 0.41159 33.125
148 1GT4 UNA 0.00128 0.41908 33.3333
149 1OLM VTQ 0.002029 0.45775 33.75
150 3KFF ZBT 0.01167 0.40692 37.5
151 3KFF XBT 0.01167 0.40692 37.5
152 1QY1 PRZ 0.00004234 0.44855 38.125
153 1I06 TZL 0.01602 0.40011 38.75
154 2OVD DAO 0.00000551 0.57512 39.375
Pocket No.: 3; Query (leader) PDB : 3SAO; Ligand: NKN; Similar sites found: 98
This union binding pocket(no: 3) in the query (biounit: 3sao.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DZ1 DAL 0.006153 0.43158 None
2 5TFZ 7BC 0.004782 0.4258 None
3 4XBT 3ZQ 0.001909 0.4203 None
4 2BYC FMN 0.003556 0.41813 None
5 3FW3 ETS 0.007543 0.41164 None
6 2HKA C3S 0.001936 0.41024 None
7 3AMN CBK 0.01185 0.40726 None
8 4XBT FLC 0.003533 0.40449 None
9 2IYG FMN 0.009447 0.40287 None
10 2DIO EOD 0.005154 0.41086 1.875
11 3T4L ZEA 0.002561 0.40987 1.875
12 3W9R A8S 0.004283 0.40974 1.875
13 4MPO AMP 0.01698 0.40273 1.96078
14 5BTX CMP 0.008842 0.41068 2.05479
15 2ET1 GLV 0.0003645 0.49074 2.5
16 5LUN OGA 0.005883 0.42639 2.5
17 2AGC DAO 0.00111 0.45661 3.125
18 5D6T NGA 0.001675 0.44024 3.125
19 3GFZ FMN 0.003147 0.41536 3.125
20 5I8T LAC 0.002154 0.40365 3.125
21 3IES M24 0.0262 0.40333 3.125
22 2XUM OGA 0.01888 0.4007 3.125
23 4HIA FMN 0.005956 0.43496 3.40909
24 4GQP B40 0.003889 0.43324 3.75
25 4H6B 10Y 0.002778 0.43221 3.75
26 2GC0 PAN 0.001131 0.42532 3.75
27 3NW7 LGV 0.02488 0.41288 3.75
28 4M26 AKG 0.02075 0.4013 3.75
29 3NNF AKG 0.0007851 0.40122 3.75
30 3O2K DST 0.004472 0.43235 4.375
31 4IGH 1EA 0.04678 0.41099 4.375
32 4IGH FMN 0.04678 0.41099 4.375
33 4IGH ORO 0.04678 0.41099 4.375
34 4H69 10Y 0.005311 0.41028 4.375
35 4XWM CBI 0.01781 0.40564 4.375
36 3B2Q ATP 0.01656 0.4004 4.375
37 4QCK ASD 0.002293 0.42673 5
38 2JIG PD2 0.001486 0.41699 5
39 2PNC CLU 0.01597 0.40694 5
40 1OIK AKG 0.0189 0.40369 5
41 2VFT SOR 0.01317 0.40014 5
42 1OGX EQU 0.0003342 0.46439 5.34351
43 5EOB 5QQ 0.005419 0.45231 5.625
44 3OPT AKG 0.006775 0.42584 5.625
45 3N9P OGA 0.01507 0.41326 5.625
46 3N9Q OGA 0.01639 0.41117 5.625
47 3N9O OGA 0.01303 0.40724 5.625
48 5L9B AKG 0.01247 0.40552 5.625
49 4NS0 PIO 0.01457 0.40196 6.01504
50 3SK2 GRI 0.0107 0.41517 6.06061
51 1J3R 6PG 0.0005526 0.44222 6.25
52 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.002757 0.42761 6.25
53 4BHL ARG 0.009529 0.42144 6.25
54 3RGA LSB 0.002185 0.42119 6.25
55 2JEN GLC GLC BGC XYS BGC XYS 0.005915 0.4181 6.25
56 1ZZ7 S0H 0.01058 0.41364 6.25
57 4IJP 1EH 0.01003 0.40566 6.25
58 3SCH TB6 0.0006065 0.40518 6.25
59 3GL0 HXX 0.008806 0.40428 6.25
60 4OCT AKG 0.01091 0.40403 6.25
61 1SU2 ATP 0.003602 0.4058 6.28931
62 2XEM SSV 0.006977 0.41325 6.66667
63 1BHX ASP PHE GLU GLU ILE 0.002582 0.43371 6.80272
64 4RDL FUC GAL NDG FUC 0.005786 0.43056 6.875
65 5JO1 6LM 0.0082 0.40972 6.875
66 3OJI PYV 0.001786 0.40915 6.875
67 4DS8 A8S 0.006362 0.40674 6.875
68 3ANY 2A3 0.01046 0.40585 6.875
69 3A6T 8OG 0.004484 0.40774 6.97674
70 1N5S ADL 0.0025 0.41817 7.14286
71 5XNA SHV 0.02166 0.40045 7.24638
72 5AIG VPR 0.0005275 0.47231 8
73 2OBD 2OB 0.01904 0.41124 8.75
74 2Y7G AAE 0.005582 0.40302 8.75
75 4EUO ABU 0.016 0.40267 8.75
76 1X0P FAD 0.007055 0.40471 9.09091
77 3MPB FRU 0.001998 0.42942 9.375
78 4YHY M3L 0.0175 0.41089 9.375
79 4ZSI 4R1 0.004624 0.40665 9.375
80 2PCU ASP 0.01364 0.40362 10
81 5MOB A8S 0.0007159 0.46007 10.625
82 4GCZ FMN 0.004427 0.4202 10.625
83 4LA7 A1O 0.0001664 0.41809 10.625
84 5C9J DAO 0.01205 0.40197 11.1111
85 5HA0 LTD 0.0003304 0.40609 13.4615
86 4J25 OGA 0.01453 0.40859 13.75
87 4XAC AKG 0.01736 0.40324 14.375
88 4H2V AMP 0.008337 0.41115 15
89 3MF2 AMP 0.01281 0.4041 15
90 5OO5 UUA 0.001461 0.42818 18.5484
91 3I7V ATP 0.01517 0.40624 20.1493
92 3PUA OGA 0.009871 0.41744 20.625
93 1H2M OGA 0.01939 0.40002 21.1538
94 2BOS GLA GAL 0.0002247 0.50433 22.0588
95 2BOS GLA GAL GLC 0.0003216 0.49045 22.0588
96 2G30 ALA ALA PHE 0.006283 0.40998 30.625
97 2QZT PLM 0.006429 0.42576 33.3333
98 1YKD CMP 0.007014 0.40905 38.125
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