Receptor
PDB id Resolution Class Description Source Keywords
2ZO9 2.2 Å EC: 3.1.4.46 MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIESTERASE FRO ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZATION OF THE NM ETAL ION PREFERENCE ENTEROBACTER AEROGENES MALONATE METALLOENZYME IRON PHOSPHODIESTERASE HYDROLASE
Ref.: MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIEST FROM ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZA THE NATIVE FE2+ METAL-ION PREFERENCE. ACTA CRYSTALLOGR.,SECT.F V. 64 681 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 B:275;
B:276;
C:275;
C:276;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
MLI B:277;
C:277;
Valid;
Valid;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZO9 2.2 Å EC: 3.1.4.46 MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIESTERASE FRO ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZATION OF THE NM ETAL ION PREFERENCE ENTEROBACTER AEROGENES MALONATE METALLOENZYME IRON PHOSPHODIESTERASE HYDROLASE
Ref.: MALONATE-BOUND STRUCTURE OF THE GLYCEROPHOSPHODIEST FROM ENTEROBACTER AEROGENES (GPDQ) AND CHARACTERIZA THE NATIVE FE2+ METAL-ION PREFERENCE. ACTA CRYSTALLOGR.,SECT.F V. 64 681 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZOA - MLI C3 H2 O4 C(C(=O)[O-....
2 2ZO9 - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 SIN 0.5 0.785714
4 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found: 548
This union binding pocket(no: 1) in the query (biounit: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZZS TRP 0.0001496 0.4866 None
2 4CO3 ATP 0.0003984 0.47634 None
3 3ZZL TRP 0.0008849 0.45951 None
4 1FNZ A2G 0.005557 0.40528 None
5 1JA9 NDP 0.000793 0.48432 0.364964
6 1JA9 PYQ 0.0004553 0.4581 0.364964
7 1M5B BN1 0.02077 0.41451 0.760456
8 1TDF NAP 0.002121 0.46647 1.09489
9 1TDF FAD 0.02025 0.40844 1.09489
10 4KCF FMN 0.00828 0.41675 1.45985
11 3SSO SAH 0.004215 0.40821 1.45985
12 1I9G SAM 0.02836 0.40546 1.45985
13 4KCF AKM 0.00813 0.40045 1.45985
14 1L3I SAH 0.009094 0.403 1.5625
15 1HDR NAD 0.003385 0.4436 1.63934
16 1NXJ TLA 0.0007577 0.42953 1.63934
17 3KMT SAH 0.003001 0.40358 1.68067
18 1Q3Q ANP 0.00008265 0.51986 1.82482
19 1KY8 NAP 0.001298 0.48542 1.82482
20 2RHW C0E 0.001109 0.47353 1.82482
21 4QCK ASD 0.002665 0.42274 1.82482
22 2DUA OXL 0.002 0.41883 1.82482
23 2HW1 ANP 0.002547 0.41668 1.82482
24 4O1M NAD 0.008398 0.40842 1.82482
25 3DG6 MUC 0.002471 0.40672 1.82482
26 1FX8 BOG 0.00327 0.40661 1.82482
27 4I42 1HA 0.0355 0.40612 1.82482
28 3ULK NDP 0.006883 0.40165 1.82482
29 1WVG APR 0.009262 0.40125 1.82482
30 1C0I BE2 0.02859 0.40117 1.82482
31 1C0I FAD 0.02859 0.40117 1.82482
32 2QDT I38 0.00301 0.40581 1.85874
33 3KMZ EQO 0.009915 0.40007 1.8797
34 2AE2 NAP 0.01011 0.41609 1.92308
35 2AE2 PTO 0.01011 0.41609 1.92308
36 2PN6 GLN 0.01554 0.42749 2
37 2Q6K ADN 0.0007013 0.45696 2.12014
38 2AC7 ADN 0.01176 0.41427 2.12766
39 3F81 STT 0.0004754 0.48588 2.18579
40 1BDB NAD 0.0002028 0.51229 2.18978
41 4QN6 LNV 0.00005245 0.50822 2.18978
42 4GLJ RHB 0.0000796 0.49345 2.18978
43 1YBQ BDH 0.0002307 0.47884 2.18978
44 1VCO GLN 0.0001199 0.47794 2.18978
45 4HPP GLU 0.0004406 0.46724 2.18978
46 1D7O NAD 0.00304 0.46413 2.18978
47 1D7O TCL 0.00304 0.46413 2.18978
48 3Q3C NAD 0.001383 0.46298 2.18978
49 1E8G FCR 0.004538 0.46031 2.18978
50 1E8G FAD 0.004762 0.46031 2.18978
51 3EAU PDN 0.005183 0.45246 2.18978
52 3EAU NDP 0.005183 0.45246 2.18978
53 1FWY UD1 0.0009827 0.44895 2.18978
54 1TV5 ORO 0.00004498 0.43848 2.18978
55 2WL9 MBD 0.001342 0.43289 2.18978
56 4PB2 5UD 0.0009633 0.42893 2.18978
57 1CR1 TTP 0.01403 0.42834 2.18978
58 2ZX7 ZX7 0.005372 0.41694 2.18978
59 1Z45 NAD 0.005341 0.41639 2.18978
60 3K3G MMU 0.0002816 0.4157 2.18978
61 1HV9 COA 0.01528 0.41453 2.18978
62 4USQ FAD 0.007923 0.41427 2.18978
63 3O03 GCO 0.001642 0.41335 2.18978
64 4FWE FAD 0.01447 0.41222 2.18978
65 1Y42 TYR 0.003198 0.41157 2.18978
66 2NZ2 CIR 0.005669 0.4112 2.18978
67 4L1F FAD 0.009511 0.411 2.18978
68 1G6O ADP 0.02446 0.41002 2.18978
69 3FXU TSU 0.006158 0.40677 2.18978
70 3WE0 FAD 0.01955 0.40663 2.18978
71 2Q97 ATP 0.005993 0.404 2.18978
72 1KW6 BPY 0.04069 0.40398 2.18978
73 4AXD ANP 0.0167 0.40299 2.18978
74 1HV9 UD1 0.01322 0.40282 2.18978
75 1XLI GLT 0.01416 0.40274 2.18978
76 3O03 NAP 0.009819 0.40167 2.18978
77 2NT8 ATP 0.001961 0.43258 2.24215
78 2WIC GNP 0.002627 0.42055 2.24719
79 2J5S KTA 0.00001553 0.49734 2.28137
80 4TSK NDP 0.005088 0.44143 2.28571
81 3K3K A8S 0.002813 0.41313 2.36967
82 2XD9 XD9 0.01483 0.44945 2.39521
83 1PKK DCP 0.0005283 0.44511 2.45098
84 2JE7 XMM 0.006601 0.40856 2.51046
85 4Q3S X7A 0.0000748 0.48701 2.55474
86 1I2B NAD 0.002063 0.48698 2.55474
87 1I2B USQ 0.002063 0.48698 2.55474
88 1I2B UPG 0.002063 0.48698 2.55474
89 4A8T PAO 0.0008906 0.47775 2.55474
90 2FGQ MLT 0.000001228 0.47438 2.55474
91 1WL4 COA 0.0005047 0.47417 2.55474
92 4B63 NAP 0.00549 0.47032 2.55474
93 4B63 ORN 0.00531 0.47032 2.55474
94 4B63 FAD 0.00531 0.47032 2.55474
95 2C9O ADP 0.0002975 0.4701 2.55474
96 1QW9 KHP 0.0001773 0.46938 2.55474
97 1SAY PYR 0.005718 0.46472 2.55474
98 4A8H PUW 0.0005939 0.45571 2.55474
99 2ZI8 SDT 0.0005943 0.45344 2.55474
100 4Q3R XA2 0.0005214 0.45082 2.55474
101 1LCP PLU 0.0006819 0.4462 2.55474
102 4HZX G39 0.002675 0.43938 2.55474
103 4P4T GDP 0.0006784 0.43475 2.55474
104 4AAW R84 0.006148 0.43159 2.55474
105 2R7K ACP 0.02191 0.42989 2.55474
106 2R7K AMZ 0.02191 0.42989 2.55474
107 2BJF DXC 0.007893 0.4216 2.55474
108 1PJ6 FOL 0.01089 0.41749 2.55474
109 1MDZ PLP 0.00768 0.41249 2.55474
110 2HGZ PBF 0.005202 0.40967 2.55474
111 2HGS ADP 0.005281 0.40615 2.55474
112 4DL8 UMP AF3 PO4 0.004963 0.40363 2.55474
113 1MDZ DCS 0.01351 0.40358 2.55474
114 2NU8 COA 0.02178 0.40288 2.55474
115 1DRV A3D 0.002585 0.44777 2.5641
116 3CI3 5AD 0.001542 0.43678 2.57732
117 3CI3 3PO 0.001542 0.43678 2.57732
118 1J2Z SOG 0.002262 0.44749 2.59259
119 1SSQ CYS 0.0267 0.40285 2.62172
120 1DR1 NAP 0.01135 0.41103 2.6455
121 1DR1 HBI 0.01135 0.41103 2.6455
122 4Q0P 0MK 0.03963 0.41736 2.69231
123 1WVC CTP 0.009873 0.44177 2.7027
124 2X61 CH 0.002147 0.44338 2.71318
125 2X61 NGA GAL SIA 0.007748 0.4334 2.71318
126 2FWP CIT 0.001345 0.44203 2.73224
127 2FWP ICR 0.001981 0.44029 2.73224
128 2FR6 CTN 0.002798 0.41124 2.73973
129 1G79 PLP 0.00428 0.4276 2.75229
130 1G79 FMN 0.006887 0.41562 2.75229
131 3SJ7 NDP 0.009083 0.40575 2.77778
132 2H6B 3C4 0.03204 0.40484 2.8
133 3E5H GNP 0.001363 0.43262 2.80899
134 4BPM LVJ 0.004924 0.41437 2.80899
135 4I9A NCN 0.00008923 0.48656 2.91971
136 2P2V CSF 0.0003848 0.48522 2.91971
137 1LGT BP3 0.00329 0.47732 2.91971
138 1A5Z NAD 0.001828 0.45423 2.91971
139 4GZP G39 0.001829 0.4463 2.91971
140 3HPF GAE 0.002878 0.43359 2.91971
141 1D6H COA 0.004618 0.43335 2.91971
142 3IAE D7K 0.002207 0.43329 2.91971
143 3FSJ D7K 0.01129 0.43259 2.91971
144 3WAS BGC BMA 0.002937 0.42955 2.91971
145 1D3V ABH 0.00185 0.42902 2.91971
146 3Q2I HP7 0.01996 0.41787 2.91971
147 4M6T SAM 0.01006 0.41423 2.91971
148 3Q9T FAY 0.01142 0.41192 2.91971
149 3B1J NAD 0.0105 0.40448 2.91971
150 1A5Z FBP 0.004771 0.40429 2.91971
151 3AIQ HBO 0.02332 0.40418 2.91971
152 3U4C NDP 0.01052 0.40317 2.91971
153 2IXB NAD 0.01442 0.4001 2.91971
154 3OIG IMJ 0.00009708 0.49145 3.00752
155 3OIG NAD 0.001248 0.46975 3.00752
156 1EJE FMN 0.003791 0.4062 3.125
157 1QJC PNS 0.0004174 0.486 3.16456
158 4IAE 1DX 0.001064 0.4657 3.1746
159 4IZC 1GZ 0.001229 0.46301 3.27273
160 2AEB ABH 0.0001445 0.48511 3.28467
161 3M0J OAF 0.0003928 0.46373 3.28467
162 1K97 ASP 0.003677 0.46036 3.28467
163 1K97 CIR 0.003677 0.46036 3.28467
164 4QDC ASD 0.0004966 0.45418 3.28467
165 2GGH NLQ 0.001042 0.45181 3.28467
166 3WBF API 0.001312 0.44515 3.28467
167 2W8Q SIN 0.0004769 0.44277 3.28467
168 1XP8 AGS 0.00344 0.43973 3.28467
169 3VHZ SOG 0.006932 0.43829 3.28467
170 3VHZ L2P GLC MAN SGA 0.008048 0.43829 3.28467
171 1LTH NAD 0.005761 0.43605 3.28467
172 1JQI FAD 0.003587 0.43078 3.28467
173 4A3R CIT 0.003598 0.42958 3.28467
174 1DXY NAD 0.02307 0.42754 3.28467
175 1V8K ANP 0.003926 0.42312 3.28467
176 3IQE F42 0.02107 0.42114 3.28467
177 3LZW NAP 0.02538 0.41131 3.28467
178 3HAZ NAD 0.007719 0.40991 3.28467
179 3HAZ FAD 0.008816 0.40882 3.28467
180 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.02231 0.40855 3.28467
181 4R33 TRP 0.0107 0.40775 3.28467
182 4R33 SAH 0.0107 0.40775 3.28467
183 1LTH FBP 0.0001493 0.40749 3.28467
184 1OWB NAD 0.01017 0.40567 3.28467
185 1I0Z NAI 0.01277 0.40102 3.28467
186 1JQI CAA 0.008771 0.4007 3.28467
187 1QCA FUA 0.005179 0.4459 3.28639
188 4C25 13P 0.0001095 0.483 3.30189
189 4NVP 7CH 0.0003638 0.47068 3.34928
190 3HZS M0E 0.006243 0.42591 3.34928
191 1MVQ MMA 0.001476 0.44039 3.38983
192 3NBK PNS 0.0124 0.40217 3.38983
193 3EM1 TYD 0.0002606 0.45999 3.42466
194 2QIA U20 0.004329 0.44184 3.43511
195 1TU3 GNP 0.003557 0.41777 3.50877
196 4LTN FMN 0.001011 0.46137 3.5533
197 4DA6 GA2 0.0007061 0.47738 3.55731
198 1LYX PGA 0.002583 0.40601 3.62903
199 1K27 MTM 0.0002839 0.47093 3.64964
200 1YOE RIB 0.0002459 0.46886 3.64964
201 4PEG 5GP 0.0005173 0.46281 3.64964
202 2PJL 047 0.002119 0.43725 3.64964
203 4QDF 30Q 0.001455 0.43554 3.64964
204 1YBH P22 0.002663 0.42998 3.64964
205 2OWZ F6P 0.005965 0.42477 3.64964
206 1H82 FAD 0.01419 0.42183 3.64964
207 2OWZ CIT 0.002509 0.41875 3.64964
208 1PEA ACM 0.009612 0.4153 3.64964
209 1X54 4AD 0.005168 0.40978 3.64964
210 1YBH FAD 0.01391 0.4093 3.64964
211 1YBH CIE 0.01574 0.40704 3.64964
212 3P0F BAU 0.003593 0.40291 3.64964
213 1GV0 NAD 0.01255 0.40134 3.64964
214 3V1V GST 0.004567 0.4011 3.64964
215 1F7K UMP 0.007717 0.40213 3.67647
216 1IM8 SAI 0.006792 0.40017 3.68852
217 3OJI PYV 0.01618 0.40684 3.7037
218 3NOJ PYR 0.0004711 0.40575 3.78151
219 3UC5 ATP 0.003924 0.44712 3.82166
220 2F59 INI 0.004136 0.40476 3.82166
221 1MVN PCO 0.007736 0.43307 3.82775
222 1MVN FMN 0.009532 0.41521 3.82775
223 1MZV AMP 0.002163 0.40261 3.82979
224 2ET1 GLV 0.002599 0.43883 3.9801
225 4AP9 1PS 0.005719 0.40126 3.9801
226 1ZK4 AC0 0.004702 0.45438 3.98406
227 1ZK4 NAP 0.004702 0.45438 3.98406
228 1GR0 NAD 0.0003559 0.50269 4.0146
229 3D2M COA 0.0007295 0.50013 4.0146
230 1OMZ UD2 0.0003418 0.48135 4.0146
231 4OE4 NAD 0.00017 0.47772 4.0146
232 2NLI FMN 0.0006883 0.47433 4.0146
233 2NLI LAC 0.0006883 0.47433 4.0146
234 1P4C FMN 0.001602 0.46929 4.0146
235 2R0N TGC 0.008613 0.45737 4.0146
236 3MMR ABH 0.00231 0.45492 4.0146
237 3IU9 T07 0.004648 0.44388 4.0146
238 2VJJ RAM GLC GAL NAG NAG GLC 0.005244 0.43581 4.0146
239 1UDB UFG 0.006784 0.43218 4.0146
240 1UDB NAD 0.006784 0.43218 4.0146
241 2V6O FAD 0.01368 0.43111 4.0146
242 2J0W ADP 0.0007831 0.43014 4.0146
243 2R0N FAD 0.02099 0.42571 4.0146
244 9LDB NAD 0.004847 0.4194 4.0146
245 1XHL NDP 0.005514 0.41837 4.0146
246 2Q1A 2KT 0.003153 0.41488 4.0146
247 3JDW ORN 0.001881 0.41349 4.0146
248 1Z4V DAN 0.008642 0.41157 4.0146
249 3FC4 EDO 0.02303 0.41049 4.0146
250 1B7Y FYA 0.006087 0.4085 4.0146
251 4DQ2 BTX 0.007927 0.40813 4.0146
252 1WDA BAG 0.003117 0.40668 4.0146
253 1MOQ GLP 0.005234 0.40085 4.0146
254 1B63 ANP 0.007588 0.4 4.0146
255 4LFL TG6 0.001466 0.40853 4.06977
256 4LKK SIA GAL 0.0004762 0.44061 4.16667
257 2VBQ BSJ 0.0131 0.40526 4.24242
258 1RP0 AHZ 0.001774 0.46865 4.37956
259 4MOB COA 0.0008299 0.45953 4.37956
260 1ML4 PAL 0.0002785 0.45886 4.37956
261 3ZS7 ATP 0.000487 0.44649 4.37956
262 4C0C WVH 0.005317 0.43167 4.37956
263 1TIW FAD 0.005852 0.42409 4.37956
264 1TIW TFB 0.005852 0.42409 4.37956
265 2RGH FAD 0.007383 0.42186 4.37956
266 4HE2 AMP 0.004614 0.42027 4.37956
267 2AQJ FAD 0.01877 0.41778 4.37956
268 2P8B NSK 0.04814 0.41724 4.37956
269 3TN7 NJP 0.006161 0.41516 4.37956
270 2Q1S NAI 0.01502 0.41153 4.37956
271 3ZEI AWH 0.008966 0.40597 4.37956
272 1E5F PLP 0.003185 0.40488 4.37956
273 3LIH RAF 0.004629 0.40289 4.37956
274 2VAR KDG 0.003041 0.40095 4.37956
275 2XK9 XK9 0.01683 0.40075 4.37956
276 3OZG SSI 0.002575 0.40836 4.4
277 3V91 UPG 0.001524 0.45763 4.46735
278 4AIG FLX 0.001945 0.40402 4.47761
279 2NX1 PEP 0.008628 0.40531 4.49438
280 1UGX GAL MGC 0.000008892 0.52684 4.51128
281 1S8F GDP 0.007606 0.40611 4.51977
282 3RO7 TDR 0.005539 0.41303 4.5283
283 1SBZ FMN 0.001538 0.44102 4.56853
284 2HV8 GTP 0.008146 0.40197 4.65116
285 4TMK T5A 0.03658 0.42406 4.69484
286 4FR3 0V4 0.001829 0.46871 4.70085
287 4FR3 LYS ARG ARG LYS SEP VAL 0.001987 0.4671 4.70085
288 2QXX TTP 0.000899 0.45446 4.73684
289 1UNB AKG 0.000008217 0.54939 4.74453
290 1UNB PN1 0.00001008 0.54939 4.74453
291 2PP3 LGT 0.00005052 0.49381 4.74453
292 3HU3 AGS 0.000657 0.48359 4.74453
293 3K37 BCZ 0.001341 0.47796 4.74453
294 1O7N IND 0.0005262 0.44518 4.74453
295 3C2O NTM 0.01085 0.44277 4.74453
296 4G1V FAD 0.02296 0.42893 4.74453
297 4O8A FAD 0.003132 0.42711 4.74453
298 3DJL FAD 0.02092 0.42478 4.74453
299 1Q0H NDP 0.008979 0.4245 4.74453
300 1SB8 UD2 0.01503 0.41789 4.74453
301 2YPO PHE 0.006679 0.41245 4.74453
302 3K7M FAD 0.02097 0.41227 4.74453
303 1SB8 NAD 0.01859 0.41085 4.74453
304 1KBI PYR 0.006962 0.40764 4.74453
305 1KBI FMN 0.006962 0.40764 4.74453
306 3EE4 MYR 0.004653 0.40654 4.74453
307 2G86 UMP 0.02751 0.40421 4.74453
308 1YS4 NAP 0.005929 0.40418 4.74453
309 1VBH PEP 0.0005617 0.40179 4.74453
310 3I8T LBT 0.00004611 0.44712 4.87805
311 2GJ3 FAD 0.0000257 0.51095 5
312 1X1T NAD 0.00151 0.47311 5
313 1AL8 DHP 0.0008974 0.47908 5.01393
314 1AL8 FMN 0.002846 0.4477 5.01393
315 4JP3 CIT 0.004058 0.42505 5.02092
316 3EJ0 11X 0.006383 0.40768 5.10204
317 4CMF PXG 0.00004032 0.52751 5.10949
318 2BJK NAD 0.00007343 0.51879 5.10949
319 2RDT 2RD 0.0002643 0.50419 5.10949
320 2RDT FMN 0.0004304 0.48675 5.10949
321 1RY2 AMP 0.00009724 0.47971 5.10949
322 3FPZ AHZ 0.003784 0.45868 5.10949
323 3L8W XAN 0.002916 0.45204 5.10949
324 3GVL SLB 0.0005971 0.44584 5.10949
325 4MWV BCZ 0.002693 0.43708 5.10949
326 1R0X ATP 0.00527 0.42039 5.10949
327 1RYI FAD 0.01809 0.40807 5.10949
328 3BW2 FMN 0.009849 0.40561 5.10949
329 1ITZ TPP 0.0066 0.40401 5.10949
330 2WUF KEM 0.007814 0.40112 5.10949
331 4RLE 2BA 0.01083 0.40638 5.12821
332 3NJQ NJQ 0.00489 0.41377 5.18135
333 2V7T SAH 0.01722 0.43254 5.35117
334 3VKX T3 0.0008791 0.43357 5.36398
335 3HQJ COA 0.002453 0.41343 5.38462
336 2BNF UTP 0.0006405 0.46423 5.39419
337 2BNE U5P 0.001268 0.4464 5.39419
338 4EA7 COA 0.001401 0.47013 5.45455
339 4EA7 JB2 0.001401 0.47013 5.45455
340 4OYA 1VE 0.002032 0.47941 5.47445
341 3CXO 1N5 0.0003894 0.46388 5.47445
342 2GN4 NDP 0.01396 0.45674 5.47445
343 2GN4 UD1 0.02565 0.44485 5.47445
344 2Z5Y HRM 0.00176 0.43448 5.47445
345 1JQ5 NAD 0.03672 0.42841 5.47445
346 3CXO 3LR 0.002768 0.42655 5.47445
347 2EJU SAH 0.001187 0.42547 5.47445
348 3NKT 1HN 0.003178 0.42123 5.47445
349 2NPX NAD 0.01655 0.41955 5.47445
350 3PY5 AMP 0.001744 0.41472 5.47445
351 4KCT FDP 0.003206 0.4001 5.47445
352 4INB 1F6 0.002808 0.41316 5.47945
353 2Q37 3AL 0.002134 0.42458 5.52486
354 4OZJ ADP 0.0002025 0.47225 5.59441
355 3H86 AP5 0.001947 0.45169 5.72917
356 1XX4 BAM 0.000007919 0.46611 5.74713
357 1T26 GBD 0.002673 0.47193 5.83942
358 1T26 NAI 0.002673 0.47193 5.83942
359 1ME8 RVP 0.004276 0.45626 5.83942
360 2BGM NAJ 0.002716 0.45339 5.83942
361 2BGM MAX 0.000874 0.44022 5.83942
362 1SAZ ACP 0.009566 0.43925 5.83942
363 1UXG NAD 0.008276 0.41779 5.83942
364 1UXG FUM 0.008276 0.41779 5.83942
365 4CML 52N 0.00431 0.41669 5.83942
366 2TPL HPP 0.004187 0.41495 5.83942
367 1NHZ 486 0.003529 0.41297 5.83942
368 3FS8 ACO 0.01596 0.42913 5.86081
369 3FS8 TDR 0.03766 0.41051 5.86081
370 1O6B ADP 0.000779 0.4672 5.91716
371 1RN8 DUP 0.004039 0.4132 5.92105
372 1Z34 2FD 0.002487 0.45107 5.95745
373 4IEN GDP 0.0003871 0.4585 6.13497
374 4IEN COA 0.0008521 0.45147 6.13497
375 1NU4 MLA 0.001205 0.40267 6.18557
376 4P87 4NP 0.0001388 0.4754 6.20438
377 3VGL BGC 0.0005257 0.45559 6.20438
378 4B7J G39 0.0007722 0.45458 6.20438
379 3VGL ANP 0.007374 0.41885 6.20438
380 4RJK TPP 0.00457 0.41638 6.20438
381 3UH0 TSB 0.004992 0.40877 6.20438
382 4E13 NAD 0.004578 0.40681 6.20438
383 4KQI RBZ 0.01031 0.40605 6.20438
384 4KQI NIO 0.01031 0.40605 6.20438
385 4RJK TDL 0.01293 0.40081 6.20438
386 1VQ2 DDN 0.001253 0.47119 6.21762
387 2FMD MAN MAN 0.0003188 0.44949 6.25
388 1QY1 PRZ 0.002485 0.4171 6.32184
389 1JH7 UVC 0.0157 0.40612 6.34921
390 1B66 BIO 0.003301 0.4141 6.42857
391 3MBG FAD 0.005763 0.40944 6.47482
392 2BTO GTP 0.000271 0.47981 6.48148
393 1G8S MET 0.003823 0.42015 6.52174
394 1SS4 CIT 0.0002848 0.52734 6.53595
395 1SS4 GSH 0.005598 0.45757 6.53595
396 1HP1 ATP 0.0005625 0.4959 6.56934
397 2IMP LAC 0.0000766 0.47329 6.56934
398 1ZFJ IMP 0.001589 0.45304 6.56934
399 2IMP NAI 0.005195 0.45241 6.56934
400 2C7G FAD 0.009471 0.42885 6.56934
401 1FA2 DOM 0.002504 0.42831 6.56934
402 3FSY SCA 0.00598 0.42211 6.56934
403 2C7G ODP 0.01661 0.41743 6.56934
404 3KO8 NAD 0.005817 0.41742 6.56934
405 2WLT ASP 0.005596 0.41423 6.56934
406 2ZB3 NDP 0.009933 0.40417 6.56934
407 1VDC FAD 0.0313 0.40101 6.56934
408 3TO7 COA 0.02138 0.40047 6.56934
409 2PWY SAH 0.003636 0.41417 6.58915
410 4LSJ LSJ 0.004786 0.40607 6.58915
411 1F7L COA 0.008616 0.4122 6.61157
412 5E65 5N6 GAL 0.0007303 0.43013 6.62651
413 2BS5 BGC GAL FUC 0.0006111 0.44809 6.66667
414 1NUS NMN 0.02836 0.40052 6.74603
415 1NUS APC 0.02359 0.40052 6.74603
416 1EXB NDP 0.000837 0.48462 6.79612
417 1LDM NAD 0.001833 0.46531 6.93431
418 3CL7 HYN 0.0004158 0.45293 6.93431
419 2YNM PMR 0.005161 0.40981 6.93431
420 1LDM OXM 0.001327 0.40967 6.93431
421 4NTD FAD 0.01683 0.40485 6.93431
422 3SHR CMP 0.002848 0.40315 6.93431
423 2D0V PQQ 0.003432 0.4098 6.94444
424 1FWE HAE 0.001293 0.40352 7
425 1FS5 TLA 0.001366 0.43663 7.14286
426 1FS5 16G 0.00255 0.41278 7.14286
427 1NVV GNP 0.001904 0.42853 7.22892
428 2PNZ UDP 0.001956 0.42806 7.22892
429 2PNZ 5GP 0.0006758 0.41384 7.22892
430 3DDC GNP 0.007956 0.40388 7.22892
431 2QS8 MET 0.00002025 0.51247 7.29927
432 1D09 PAL 0.002443 0.47844 7.29927
433 1WKL ATP 0.00007446 0.47137 7.29927
434 1WKL ADP 0.001457 0.45258 7.29927
435 3A8U PLP 0.0006926 0.4442 7.29927
436 4AF0 IMP 0.003571 0.44174 7.29927
437 4AF0 MOA 0.001038 0.43727 7.29927
438 1F5F DHT 0.004646 0.40082 7.31707
439 1A8S PPI 0.0002339 0.44068 7.32601
440 1EDO NAP 0.000393 0.49797 7.37705
441 2BLE 5GP 0.0003925 0.49188 7.66423
442 2YYJ FAD 0.001121 0.48389 7.66423
443 2YYJ 4HP 0.001121 0.48389 7.66423
444 1N6B DMZ 0.0006437 0.46294 7.66423
445 2XVF FAD 0.002637 0.43746 7.66423
446 1KBJ FMN 0.004628 0.41323 7.66423
447 4C12 ADP 0.0286 0.40564 7.66423
448 1P72 ADP 0.01109 0.40475 7.66423
449 2JBZ COA 0.00168 0.45442 7.69231
450 2F3R G5P 0.0008305 0.46895 7.72947
451 2NS1 ADP 0.0001751 0.48168 7.75862
452 1LO8 4CA 0.007849 0.4359 7.80142
453 1NVU GTP 0.0003806 0.48908 7.83133
454 3MB5 SAM 0.00001901 0.54161 7.84314
455 4G87 UD1 0.0001656 0.49745 8.0292
456 1RLZ NAD 0.01816 0.42213 8.0292
457 1R6D DAU 0.03258 0.40315 8.0292
458 3BLI ACO 0.007443 0.40033 8.0292
459 2GNK ATP 0.001123 0.4445 8.03571
460 1OFH ADP 0.0006487 0.44706 8.04598
461 2WR8 SAH 0.001254 0.4485 8.10811
462 1DUC DUD 0.003474 0.41054 8.20895
463 4H2F ADN 0.000001776 0.62649 8.39416
464 2A0W DIH 0.00004349 0.5065 8.39416
465 4IVG ANP 0.0008084 0.47131 8.39416
466 4HA6 FAD 0.001872 0.45001 8.39416
467 1R27 MGD 0.00369 0.43027 8.39416
468 1KGQ SCO 0.01878 0.4259 8.39416
469 2R85 AMP 0.01267 0.41682 8.39416
470 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01666 0.40693 8.39416
471 2Q1W NAD 0.01245 0.40388 8.39416
472 3S9K CIT 0.00366 0.47369 8.47458
473 1KDK DHT 0.001298 0.42991 8.47458
474 3GEG NAD 0.003689 0.42012 8.50202
475 3RFV NAI 0.01137 0.40049 8.61423
476 3SUC ATP 0.00002512 0.48536 8.75912
477 3OND NAD 0.004903 0.43582 8.75912
478 3OND ADN 0.004903 0.43582 8.75912
479 3ZRR PXG 0.002871 0.41279 8.75912
480 4FUA PGH 0.002603 0.42469 8.83721
481 3N5B ADP 0.003828 0.4267 8.92857
482 4DN8 BMA 0.00002772 0.43785 8.97436
483 4QN7 G39 0.0001561 0.48584 9.12409
484 1OTH PAO 0.0007777 0.45309 9.12409
485 1G41 ADP 0.004704 0.44143 9.12409
486 4KQL 1SG 0.006034 0.44097 9.12409
487 1DKU AP2 0.008182 0.40554 9.12409
488 4M4Q 21A 0.004205 0.41332 9.12863
489 1T0I FMN 0.005109 0.40125 9.42408
490 4GQB 0XU 0.0001809 0.50131 9.48905
491 1V1A ADP 0.0003583 0.46228 9.48905
492 3L02 SN0 0.0005974 0.45776 9.48905
493 3L02 CP 0.0005974 0.45776 9.48905
494 1V1A KDG 0.001275 0.42734 9.48905
495 4N02 FNR 0.002774 0.44985 9.52381
496 3CH5 GDP 0.005412 0.41992 9.61539
497 2FH5 GTP 0.001061 0.46048 9.81308
498 1XMV ADP 0.005182 0.43726 9.85401
499 1F8F NAD 0.02255 0.41158 9.85401
500 2I3G NAP 0.009954 0.40788 9.85401
501 1QF5 GDP 0.02463 0.40554 9.85401
502 1QF5 RPL 0.02463 0.40554 9.85401
503 1II7 DA 0.0000001301 0.64689 10.219
504 3CKZ ZMR 0.000544 0.47063 10.219
505 2NSJ C2R 0.0243 0.41867 10.219
506 4J6O CIT 0.0000525 0.52377 10.2273
507 4UBP HAE 0.0003 0.45158 10.3175
508 3WSJ MK1 0.00552 0.4336 10.3448
509 4LCQ URQ 0.00004092 0.50018 10.5839
510 2V5K OXM 0.001863 0.40753 10.8014
511 1GSA ADP 0.0001459 0.50137 10.9489
512 1GSA GSH 0.002605 0.44194 10.9489
513 2C1Q BTN 0.005916 0.42492 11.1111
514 3NGU ADP 0.002575 0.40606 11.2583
515 4DHL 0K7 0.0000005058 0.62227 11.3139
516 3UXL CFI 0.002409 0.47199 11.3139
517 3QVL 5HY 0.002183 0.45353 11.4286
518 1UQX MMA 0.0007272 0.44337 11.5044
519 1KWK GAL 0.001817 0.4184 11.6788
520 3CQD ATP 0.01124 0.4112 11.6788
521 1CFV E3G 0.003995 0.41576 11.7647
522 1L1Q 9DA 0.004736 0.40442 11.828
523 4EKV BTN 0.005254 0.42045 11.9497
524 3RL3 5GP 0.0000003191 0.66486 12.0438
525 4KS1 2H8 0.0004361 0.47687 12.0438
526 1RM4 NDP 0.006299 0.43877 12.0438
527 2HMT NAI 0.0006689 0.47299 12.5
528 1NME 159 0.0007443 0.42616 13.0435
529 2XBP ATP 0.001015 0.46378 13.2743
530 3BL6 FMC 0.005145 0.40113 13.4783
531 1RM0 NAI 0.01117 0.41876 13.5036
532 1RM0 D6P 0.01602 0.41442 13.5036
533 2NVK FAD 0.02113 0.40345 13.5036
534 1E4E PHY 0.001997 0.41252 13.8686
535 4LBP 1WG 0.005372 0.41495 14
536 3DCM SAM 0.00526 0.40266 14.5833
537 3KPE TM3 0.0009577 0.44599 15.3846
538 1JCM 137 0.001446 0.43791 15.444
539 1W55 C 0.01539 0.41439 16.0584
540 3LEO GSH 0.009554 0.40486 16.129
541 4JTA NAP 0.01226 0.43214 16.2162
542 3PAK MAN 0.001045 0.42426 16.8919
543 2A0S BIO 0.005104 0.4092 17.7778
544 2DTX BMA 0.005146 0.42746 21.5909
545 2BOI MFU 0.0001915 0.42591 22.1239
546 3IB8 AMP 0.000000001237 0.79323 34.6715
547 3TA2 ATP 0.0001835 0.48084 34.7458
548 3TA2 AKG 0.003182 0.42411 34.7458
Pocket No.: 2; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZO9; Ligand: MLI; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 2zo9.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FCB AMP 0.000000065 0.68381 2.07852
2 5TIV A3P 0.01819 0.42573 2.37154
3 4B9Z ACR 0.02484 0.40285 2.55474
4 5DQ8 FLF 0.03127 0.40374 2.91667
5 5A89 FMN 0.04114 0.41361 5.76923
6 5KAS PC 0.00000007031 0.68389 5.83942
7 5GVL GI8 0.02412 0.42369 8.39416
8 5GVL PLG 0.02412 0.42369 8.39416
9 5IHE D5M 0.0000000139 0.72546 9.12409
10 4ZX2 4TE 0.000007728 0.56046 9.85401
11 5B4B LP5 0.009892 0.43567 12.9032
12 5I85 PC 0.00000004946 0.67199 20.073
Pocket No.: 4; Query (leader) PDB : 2ZO9; Ligand: MLI; 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: 2zo9.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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