Receptor
PDB id Resolution Class Description Source Keywords
1F74 1.6 Å EC: 4.1.3.3 CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM II COMPLEXED WITH 4-DEA CID HAEMOPHILUS INFLUENZAE BETA BARREL LYASE
Ref.: ACTIVE SITE MODULATION IN THE N-ACETYLNEURAMINATE L SUB-FAMILY AS REVEALED BY THE STRUCTURE OF THE INHIBITOR-COMPLEXED HAEMOPHILUS INFLUENZAE ENZYME. J.MOL.BIOL. V. 303 405 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL C:999;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:933;
A:934;
C:931;
C:932;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAY A:950;
C:951;
Valid;
Valid;
none;
none;
Ki = 0.9 mM
293.27 C11 H19 N O8 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F74 1.6 Å EC: 4.1.3.3 CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM II COMPLEXED WITH 4-DEA CID HAEMOPHILUS INFLUENZAE BETA BARREL LYASE
Ref.: ACTIVE SITE MODULATION IN THE N-ACETYLNEURAMINATE L SUB-FAMILY AS REVEALED BY THE STRUCTURE OF THE INHIBITOR-COMPLEXED HAEMOPHILUS INFLUENZAE ENZYME. J.MOL.BIOL. V. 303 405 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F73 Ki = 4.1 mM HMN C11 H21 N O9 CC(=O)N[C@....
2 1F74 Ki = 0.9 mM NAY C11 H19 N O8 CC(=O)N[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4IMF - SI3 C11 H19 N O9 CC(=O)N[C@....
2 4IMG - NGF C11 H19 N O10 C([C@@H]([....
3 1F73 Ki = 4.1 mM HMN C11 H21 N O9 CC(=O)N[C@....
4 1F74 Ki = 0.9 mM NAY C11 H19 N O8 CC(=O)N[C@....
5 5KZD Ki = 0.39 mM RCJ C11 H21 N O9 CC(=O)N[C@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2WPB Ki = 1.3 mM ZZI C10 H21 N O4 CCCN(CCC)C....
2 2WNZ - LAC C3 H6 O3 C[C@H](C(=....
3 2XFW - PYR C3 H4 O3 CC(=O)C(=O....
4 2WKJ - PYR C3 H4 O3 CC(=O)C(=O....
5 4IMF - SI3 C11 H19 N O9 CC(=O)N[C@....
6 4IMG - NGF C11 H19 N O10 C([C@@H]([....
7 1F73 Ki = 4.1 mM HMN C11 H21 N O9 CC(=O)N[C@....
8 1F74 Ki = 0.9 mM NAY C11 H19 N O8 CC(=O)N[C@....
9 5KZD Ki = 0.39 mM RCJ C11 H21 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NAY 1 1
2 SI3 0.446429 0.918919
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F74; Ligand: NAY; Similar sites found: 363
This union binding pocket(no: 1) in the query (biounit: 1f74.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.0004159 0.45365 None
2 1UO4 PIH 0.01816 0.42166 None
3 1PTR PRB 0.00788 0.4183 None
4 2QLX RM4 0.01146 0.41088 None
5 2ZE3 AKG 0.005804 0.41229 1.09091
6 1SS4 GSH 0.002132 0.49104 1.30719
7 4KCT FDP 0.001893 0.41095 1.36519
8 1Y42 TYR 0.005296 0.40856 1.36519
9 1F1V DHY 0.004389 0.40675 1.36519
10 3LTW HLZ 0.001373 0.44549 1.42857
11 3UBW 6SP 0.001126 0.50385 1.53257
12 3QV9 QV7 0.002016 0.4317 1.70648
13 3GTD MLI 0.003579 0.42117 1.70648
14 2Q8H TF4 0.01666 0.41615 1.70648
15 2F2U M77 0.002147 0.41381 1.70648
16 4EZD SEY 0.00606 0.40533 1.70648
17 3CBG 4FE 0.01377 0.42791 1.72414
18 3CBG FER 0.009947 0.42727 1.72414
19 2GDZ NAD 0.001203 0.43053 1.87266
20 2PWY SAH 0.00188 0.41388 1.93798
21 3NGU ADP 0.002723 0.40061 1.98676
22 2CW6 3HG 0.0006402 0.48611 2.04778
23 1E5F PLP 0.0002777 0.43094 2.04778
24 2DKH 3HB 0.00791 0.40979 2.04778
25 3NNF AKG 0.0106 0.40658 2.04778
26 2DKH FAD 0.007365 0.40452 2.04778
27 1X8X TYR 0.004736 0.40067 2.04778
28 4EXO PYR 0.009113 0.42194 2.05479
29 1T3D CYS 0.002494 0.44105 2.07612
30 3F81 STT 0.001194 0.46374 2.18579
31 1A8S PPI 0.00063 0.43136 2.1978
32 2JBH 5GP 0.00127 0.42801 2.22222
33 1R5A GTS 0.002987 0.41335 2.29358
34 1O0D 163 0.0009924 0.40445 2.3166
35 2FEQ 34P 0.001168 0.40212 2.3166
36 4HA6 PXM 0.00975 0.40274 2.3622
37 1Q8S MAN MMA 0.01208 0.41556 2.38095
38 1Q8Q MAN MMA 0.01408 0.41172 2.38095
39 3UDG TMP 0.0003045 0.50203 2.38908
40 2I4O ATP 0.0005033 0.43788 2.38908
41 3MAG 3MA 0.009602 0.43603 2.38908
42 4W6Z ETF 0.009098 0.42919 2.38908
43 3GDN HBX 0.01356 0.42838 2.38908
44 3GDN FAD 0.00998 0.42838 2.38908
45 3AHC TPP 0.002035 0.42192 2.38908
46 1SOW OXL 0.01815 0.41429 2.38908
47 1PFK ADP 0.001619 0.40424 2.38908
48 2WQP WQP 0.005099 0.4027 2.38908
49 2CE7 ADP 0.002719 0.40063 2.38908
50 3N9R TD3 0.04629 0.40037 2.38908
51 2QGI UDP 0.0005726 0.45478 2.41935
52 1AX2 NDG GAL 0.001409 0.43203 2.51046
53 1JA9 PYQ 0.0008954 0.43387 2.55474
54 2C4I BTN 0.0001106 0.44487 2.58303
55 1QH9 LAC 0.0005444 0.46308 2.58621
56 3UCJ AZM 0.001705 0.42296 2.64317
57 2V7T SAH 0.01878 0.422 2.67559
58 2AE2 NAP 0.0211 0.41057 2.69231
59 1P7T PYR 0.003238 0.43856 2.73038
60 3ZF8 GDP 0.0008739 0.42873 2.73038
61 2CUN 3PG 0.007434 0.42622 2.73038
62 4NAO AKG 0.01097 0.41173 2.73038
63 2OZE AGS 0.0005408 0.40741 2.73038
64 3CL5 SIO 0.01406 0.40682 2.73038
65 3CXO 1N5 0.007425 0.40196 2.73038
66 3PLN U5P 0.007764 0.40177 2.73038
67 2FWP ICR 0.006682 0.40844 2.73224
68 3PJU C2E 0.001104 0.42738 2.81124
69 1KDK DHT 0.0002134 0.4038 2.82486
70 1MQ0 BRD 0.001127 0.41438 2.85714
71 2WGC SIA GAL BGC 0.007427 0.45118 2.92398
72 4B16 NAG 0.02155 0.41778 3.00752
73 3KYF 5GP 5GP 0.001373 0.42124 3.0303
74 1KBJ FMN 0.0001377 0.4591 3.07167
75 2BO4 FLC 0.001451 0.45175 3.07167
76 4B9E FAH 0.002737 0.43922 3.07167
77 3A2Q ACA ACA 0.0005334 0.41566 3.07167
78 1FP2 SAH 0.001616 0.40875 3.07167
79 3M6W SAM 0.001263 0.40799 3.07167
80 1WDA BAG 0.004498 0.40633 3.07167
81 3O03 GCO 0.001669 0.46559 3.09278
82 1HQL GLA MBG 0.0006879 0.46648 3.11284
83 3H86 AP5 0.001973 0.43996 3.125
84 1Y9Q MED 0.01012 0.40747 3.125
85 1YOA FMN 0.005315 0.45908 3.14465
86 3RGG AIR 0.00379 0.40437 3.14465
87 1EYQ NAR 0.006136 0.401 3.15315
88 3JQM GTP 0.005033 0.4044 3.18471
89 1PR9 NAP 0.0006166 0.44573 3.27869
90 2B7N NTM 0.001204 0.44116 3.2967
91 1RYD GLC 0.0009672 0.45216 3.41297
92 3UH0 TSB 0.001259 0.42023 3.41297
93 3K5X P8D 0.001859 0.4162 3.41297
94 2ZJ3 G6P 0.002327 0.40502 3.41297
95 4M37 SAH 0.0006163 0.40109 3.41297
96 3RKR NAP 0.001096 0.42497 3.43511
97 3WCS MAN NAG GAL 0.003567 0.40538 3.54331
98 4IXW IXW 0.005653 0.4024 3.54331
99 1QDS PGA 0.0009886 0.42668 3.58566
100 2Y7P SAL 0.0002195 0.46496 3.66972
101 3WUD GLC GAL 0.005128 0.43379 3.67647
102 3I51 45C 0.002534 0.40626 3.7037
103 3TKA CTN 0.00215 0.4916 3.75427
104 4USQ FAD 0.0001966 0.46612 3.75427
105 2Z9V PXM 0.0007181 0.44397 3.75427
106 1NML CIT 0.0009151 0.43968 3.75427
107 3C1O NAP 0.0004221 0.43938 3.75427
108 1PEA ACM 0.005475 0.43244 3.75427
109 2UYQ SAM 0.01049 0.41842 3.75427
110 1I0Z OXM 0.02032 0.41185 3.75427
111 3CEV ARG 0.003765 0.40938 3.75427
112 2J5V RGP 0.02042 0.40162 3.75427
113 1A59 COA 0.0008068 0.40136 3.75427
114 2HXT EHM 0.002747 0.40047 3.75427
115 2QHV OC9 0.01532 0.4032 3.80952
116 1NF8 ISC 0.002692 0.40528 3.86473
117 1NF8 BOG 0.01781 0.40211 3.86473
118 1XIU REA 0.000538 0.41479 3.91304
119 1C3M MAN MAN 0.0225 0.40186 4.08163
120 2XDQ MGX 0.0003814 0.49721 4.09556
121 1KC7 PPR 0.0005387 0.47131 4.09556
122 1ZGA SAH 0.00008635 0.45444 4.09556
123 1H16 PYR 0.003723 0.44038 4.09556
124 2ZWS PLM 0.01259 0.43871 4.09556
125 1FBL HTA 0.001028 0.42602 4.09556
126 1V5F TPP 0.03576 0.42462 4.09556
127 1V5F FAD 0.03576 0.42462 4.09556
128 1P72 THM 0.003809 0.41441 4.09556
129 3U1T MLI 0.01259 0.40901 4.09556
130 2OWZ CIT 0.009687 0.4083 4.09556
131 4M2K PLP 0.004337 0.40695 4.09556
132 4IOK XPO 0.003059 0.40617 4.09556
133 4IOK ADP 0.004812 0.40363 4.09556
134 2Q8M AMP 0.003154 0.40273 4.09556
135 1XX4 BAM 0.001632 0.46606 4.21456
136 1P9P SAH 0.002649 0.40671 4.21456
137 1VKF CIT 0.0001194 0.43378 4.25532
138 3VPD ANP 0.00308 0.40254 4.27046
139 2Y6P CTP 0.003237 0.40699 4.2735
140 3SQG COM 0.003022 0.46201 4.30108
141 4IF4 BEF 0.003104 0.44352 4.32692
142 1WTC ACP 0.00735 0.41968 4.33437
143 1G8S MET 0.00218 0.43671 4.34783
144 2ALG DAO 0.003176 0.42336 4.34783
145 3BL6 FMC 0.002742 0.4005 4.34783
146 3Q9T FAY 0.00002729 0.50487 4.43686
147 1GPJ CIT 0.0003896 0.46944 4.43686
148 2ZJ5 ADP 0.0004485 0.45926 4.43686
149 4RJK PYR 0.00231 0.45019 4.43686
150 2C5S AMP 0.0006146 0.44044 4.43686
151 9LDT OXM 0.009662 0.43589 4.43686
152 4M51 BEZ 0.007665 0.42551 4.43686
153 1YBH P22 0.001099 0.42492 4.43686
154 3MD0 GDP 0.002014 0.42011 4.43686
155 1V6A TRE 0.008732 0.40478 4.43686
156 9LDB OXM 0.04505 0.40099 4.43686
157 1NZY BCA 0.01571 0.40367 4.46097
158 1JAC AMG 0.00524 0.44965 4.51128
159 3K56 IS3 0.001937 0.40592 4.51128
160 1QO0 BMD 0.00448 0.423 4.59184
161 4JWX 1N4 0.003311 0.41689 4.64286
162 4F2Q QUS 0.0005312 0.42611 4.65116
163 4WBD CIT 0.0006264 0.477 4.77816
164 1P9B HDA 0.0004468 0.45933 4.77816
165 4HZO COA 0.001276 0.43379 4.77816
166 4C2G ALA ALA ALA ALA 0.001231 0.42854 4.77816
167 1UF5 CDT 0.0009623 0.42713 4.77816
168 3ZGE ASP 0.007677 0.42548 4.77816
169 3DAG FEG 0.001393 0.42203 4.77816
170 4WBD ADP 0.01147 0.41086 4.77816
171 3P7I P7I 0.006654 0.40451 4.77816
172 2VQ5 HBA 0.0008337 0.46269 4.97512
173 2VQ5 LDP 0.01154 0.42407 4.97512
174 3UIE ANP 0.001472 0.42008 5
175 2WCV FUC 0.003532 0.40554 5
176 1GAD NAD 0.000219 0.45344 5.11945
177 2YVF NAD 0.003963 0.43841 5.11945
178 2YVF FAD 0.004185 0.43673 5.11945
179 2C31 ADP 0.008077 0.43052 5.11945
180 1VBH PEP 0.00307 0.42398 5.11945
181 1FDJ 2FP 0.0003913 0.41539 5.11945
182 5A1S FLC 0.0403 0.41248 5.11945
183 2C31 TZD 0.03633 0.40323 5.11945
184 1NU4 MLA 0.01152 0.44081 5.15464
185 1OFH ADP 0.02707 0.40171 5.17241
186 1JOT GAL A2G 0.02786 0.40223 5.26316
187 1B5E DCM 0.003191 0.41222 5.28455
188 6FIV 3TL 0.001114 0.41456 5.30973
189 4GKY MAN 0.008356 0.40773 5.36398
190 1V7R CIT 0.007175 0.44259 5.37634
191 2Q97 ATP 0.00218 0.40978 5.42636
192 4O8A 2OP 0.0006465 0.4859 5.46075
193 1X54 4AD 0.00033 0.4433 5.46075
194 2NCD ADP 0.002679 0.42649 5.46075
195 2DVZ GLU 0.001191 0.42358 5.46075
196 3AYS CT3 0.00135 0.42151 5.46075
197 4QVH FLC 0.02932 0.42047 5.46075
198 4OYA 1VE 0.04043 0.41071 5.46075
199 2Z48 NGA 0.0156 0.40773 5.46075
200 4IHQ ADP 0.005503 0.40287 5.46075
201 1FMB HYB 0.0002447 0.44384 5.76923
202 4AF5 CIT 0.007714 0.41264 5.78947
203 3SQP FAD 0.03094 0.44621 5.80205
204 2AEB ABH 0.006354 0.40756 5.80205
205 1R27 MGD 0.00848 0.40552 5.80205
206 1AUA BOG 0.006304 0.40547 5.80205
207 3W8S GSH 0.006514 0.41017 5.82524
208 2JFV FLC 0.0009107 0.4533 5.84192
209 1AE1 NAP 0.02413 0.40077 5.86081
210 3RK0 AMP 0.001549 0.41418 5.90717
211 1ULE GLA GAL NAG 0.0121 0.41609 6
212 1Q6O LG6 0.0006727 0.41754 6.01852
213 2Q37 3AL 0.0008726 0.44706 6.07735
214 2Q3M MLA 0.0038 0.44794 6.14334
215 4DQ2 BTX 0.001116 0.43029 6.14334
216 4DBH OXL 0.01168 0.41487 6.14334
217 3IO3 ADP 0.00238 0.40268 6.14334
218 1H9G COA MYR 0.002458 0.41448 6.17284
219 1HFA PIO 0.01528 0.40708 6.22837
220 3GM5 CIT 0.002248 0.43612 6.28931
221 1KYV RBF 0.001223 0.40202 6.28931
222 2F01 BTQ 0.01167 0.42078 6.29921
223 2F01 BTN 0.01167 0.42078 6.29921
224 1TRD PGH 0.0009066 0.42279 6.4
225 1H8P PC 0.003363 0.45056 6.42202
226 1IYE PGU 0.001302 0.43064 6.48464
227 2ZJF BSU 0.004122 0.40298 6.48464
228 3B9Z CO2 0.01301 0.40266 6.48464
229 1FP1 SAH 0.002003 0.40101 6.48464
230 4JEJ 1GP 0.002565 0.40606 6.55738
231 4FGC PQ0 0.002822 0.42553 6.66667
232 1GU3 BGC BGC BGC BGC BGC 0.003548 0.41567 6.71141
233 1WRA PC 0.003653 0.43351 6.82594
234 1B9I PXG 0.001369 0.41891 6.82594
235 1Z42 FMN 0.001906 0.41084 6.82594
236 1GET NAP 0.04699 0.41015 6.82594
237 2NVK NAP 0.006276 0.40555 6.82594
238 2P8O BVA 0.0005774 0.41289 6.87023
239 1O68 KIV 0.0007108 0.44416 6.90909
240 3QDY A2G GAL 0.00007973 0.51932 6.99301
241 3QDT A2G GAL 0.0004777 0.48256 6.99301
242 3QDV A2G 0.001947 0.46228 6.99301
243 3QDW A2G 0.002304 0.45867 6.99301
244 3QDV NDG 0.006868 0.42102 6.99301
245 3QDW NDG 0.01319 0.40808 6.99301
246 3QDY CBS 0.01349 0.40763 6.99301
247 1WHT BZS 0.0005214 0.4639 7.03125
248 3BY8 MLT 0.001671 0.44896 7.04225
249 2XI7 XI7 0.005162 0.45976 7.06522
250 3PNA CMP 0.0008043 0.43584 7.14286
251 3IHB TRS 0.00008786 0.60819 7.16724
252 3IHB GLU 0.0007275 0.46537 7.16724
253 1O9U ADZ 0.002629 0.45584 7.16724
254 4CIB 7UZ 0.002457 0.42807 7.16724
255 3DGB MUC 0.002239 0.40825 7.16724
256 2NZ2 ASP 0.007471 0.40245 7.16724
257 1QB7 ADE 0.002613 0.41055 7.20339
258 1LYX PGA 0.0005423 0.42578 7.25806
259 1FW1 GSH 0.0007943 0.41983 7.40741
260 1I2L DCS 0.0002644 0.41319 7.43494
261 1B74 DGN 0.001776 0.46856 7.48031
262 1GJW GLC 0.001438 0.45193 7.50853
263 3A1I UNU 0.0004378 0.44019 7.50853
264 2HW1 FRU 0.004712 0.41612 7.50853
265 2P41 SAH 0.0003381 0.41425 7.50853
266 4R33 SAH 0.005007 0.41094 7.50853
267 4R33 TRP 0.005007 0.41094 7.50853
268 4LFL TG6 0.004758 0.40059 7.55814
269 1NME 159 0.001807 0.46388 7.6087
270 1EB9 HBA 0.00121 0.41815 7.63359
271 1LES GLC FRU 0.009097 0.41638 7.69231
272 1UOU CMU 0.0004457 0.42884 7.84983
273 2IZ1 ATR 0.005322 0.41972 7.84983
274 1YHM AHD 0.007094 0.4086 7.84983
275 3DJL FAD 0.02791 0.40081 7.84983
276 2DTJ THR 0.002458 0.41157 7.86517
277 1KYZ SAH 0.00009055 0.43383 8.19113
278 3DG6 MUC 0.0005713 0.42497 8.19113
279 3IB9 BTN 0.01081 0.41515 8.19113
280 1SQ5 PAU 0.006053 0.40619 8.19113
281 1Y13 BIO 0.001645 0.41823 8.28729
282 1QR0 COA 0.004892 0.40013 8.33333
283 2QCX PF1 0.00436 0.41754 8.36502
284 1BTN I3P 0.005364 0.45809 8.49057
285 3PMD 11A 0.002682 0.41011 8.49673
286 4COQ SAN 0.001008 0.45138 8.50202
287 2FKA BEF 0.01487 0.40161 8.52713
288 3TFC PEP 0.0008595 0.44079 8.53242
289 1ZJ6 G3D 0.001206 0.4182 8.55615
290 3FGZ BEF 0.005725 0.4152 8.59375
291 1JGS SAL 0.0011 0.49619 8.69565
292 2BOS GLA GAL GLC 0.01521 0.40897 8.82353
293 2BOS GLA GAL GLC NBU 0.01747 0.40508 8.82353
294 4G1V FAD 0.001761 0.42138 8.87372
295 1FIQ FAD 0.00177 0.42948 9.13242
296 1FIQ MTE 0.002492 0.4186 9.13242
297 2GJ3 FAD 0.0003025 0.40963 9.16667
298 2YIV NBN 0.0007686 0.46429 9.21502
299 2YIV YIV 0.002263 0.45061 9.21502
300 5D63 FUC GLA GLA 0.003908 0.4256 9.21502
301 5D63 FUC GAL GLA 0.00502 0.40444 9.21502
302 4G28 0W8 0.005532 0.40278 9.39597
303 4AIG FLX 0.003255 0.4069 9.45274
304 1NNS ASP 0.001663 0.41805 9.55631
305 2VAR AMP 0.002657 0.41027 9.55631
306 2VAR KDF 0.00211 0.4092 9.55631
307 1ZUW DGL 0.001107 0.43036 9.55882
308 1T57 FMN 0.0005733 0.43079 9.70874
309 1GVF PGH 0.002544 0.42157 9.79021
310 4CCN OGA 0.00737 0.41352 9.89761
311 1Q3P GLU ALA GLN THR ARG LEU 0.00555 0.40272 10.0917
312 2VDJ HSE 0.008153 0.42424 10.2389
313 4USS GSH 0.003197 0.41751 10.2389
314 3L24 GOA 0.01598 0.41704 10.2389
315 4TSK NDP 0.01948 0.407 10.2389
316 2FGQ MLT 0.0105 0.40676 10.2389
317 1YAG ATP 0.001264 0.42017 10.4
318 2OFD NGA 0.008189 0.41151 10.5634
319 2OFE NAG 0.0123 0.40375 10.5634
320 4M5P MLA 0.01097 0.43304 10.5802
321 4ME6 ADP 0.005859 0.41212 10.5802
322 1SC3 MLI 0.006913 0.42764 10.6742
323 3ZLM ANP 0.002801 0.40017 11.1702
324 2AZ3 CDP 0.004508 0.41142 11.5854
325 1RZM E4P 0.0009686 0.45973 11.6041
326 1TDF NAP 0.002119 0.4551 11.6041
327 1RZM PEP 0.003328 0.4168 11.6041
328 1TDF FAD 0.01251 0.40819 11.6041
329 3GD8 BOG 0.02488 0.40116 11.6592
330 3WUC GLC GAL 0.008029 0.41793 11.6788
331 1Q3Q ANP 0.006182 0.4276 11.9454
332 1Z45 GAL 0.006129 0.40597 11.9454
333 1EYE PMM 0.0005892 0.42972 12.1429
334 1VMK GUN 0.04248 0.4115 12.2744
335 2QJN KDG 0.002577 0.40147 12.2867
336 2W3L DRO 0.004538 0.44413 12.5
337 1T0S BML 0.004065 0.43857 12.7907
338 3PNL ADP 0.002909 0.40523 12.7962
339 5FIT AP2 0.001904 0.41086 12.9252
340 3FPZ AHZ 0.007479 0.43532 12.9693
341 1Y7P RIP 0.01073 0.41857 13.0045
342 1CKM GTP 0.001413 0.42618 13.9932
343 2O66 FLC 0.005153 0.41447 14.0741
344 4L80 OXL 0.01152 0.41643 14.6758
345 1UO5 PIH 0.003946 0.4661 14.7059
346 2WCI GSH 0.009755 0.40274 14.8148
347 4F8L GAL 0.0006843 0.50736 15.1724
348 4KGM ATP 0.002218 0.4084 16.7347
349 4JCA CIT 0.001008 0.48663 17.3653
350 2V5E SCR 0.009803 0.43557 17.8218
351 1Y1A GSH 0.0005228 0.51802 21.8579
352 1ECM TSA 0.006265 0.40064 22.0183
353 3F8C HT1 0.004286 0.41786 22.2222
354 4P9Z NMI PTR 02K ASN NH2 0.004027 0.41342 22.2222
355 1DL7 NCH 0.003125 0.4716 23.2143
356 3H22 B53 0.0005235 0.43723 24.2424
357 1Q11 TYE 0.001402 0.43212 24.9147
358 2E1A MSE 0.0005092 0.44367 25.3333
359 3S9K CIT 0.004501 0.46137 29.661
360 4GYW UDP 0.0007473 0.44117 35.7143
361 3I7S PYR 0.0000005521 0.66192 36.9863
362 4PTN GXV 0.0002103 0.50411 40.6143
363 1W3T 3GR 0.0007594 0.47471 48.8055
Pocket No.: 2; Query (leader) PDB : 1F74; Ligand: NAY; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1f74.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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