Receptor
PDB id Resolution Class Description Source Keywords
3UXL 2.2 Å EC: 5.1.2.2 P. PUTIDA MANDELATE RACEMASE CO-CRYSTALLIZED WITH THE INTERM ANALOGUE CUPFERRON PSEUDOMONAS PUTIDA ENOLASE SUPERFAMILY ENZYME ISOMERASE
Ref.: STRUCTURE OF MANDELATE RACEMASE WITH BOUND INTERMED ANALOGUES BENZOHYDROXAMATE AND CUPFERRON. BIOCHEMISTRY V. 51 1160 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CFI A:361;
B:361;
C:361;
D:361;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 2.7 uM
138.124 C6 H6 N2 O2 c1ccc...
MG A:360;
B:360;
C:360;
D:360;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UXL 2.2 Å EC: 5.1.2.2 P. PUTIDA MANDELATE RACEMASE CO-CRYSTALLIZED WITH THE INTERM ANALOGUE CUPFERRON PSEUDOMONAS PUTIDA ENOLASE SUPERFAMILY ENZYME ISOMERASE
Ref.: STRUCTURE OF MANDELATE RACEMASE WITH BOUND INTERMED ANALOGUES BENZOHYDROXAMATE AND CUPFERRON. BIOCHEMISTRY V. 51 1160 2012
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MRA - APG C9 H10 O3 C[C@](c1cc....
2 3UXL Ki = 2.7 uM CFI C6 H6 N2 O2 c1ccc(cc1)....
3 1DTN - APG C9 H10 O3 C[C@](c1cc....
4 4FP1 Ki = 0.027 mM BFM C4 H2 F6 O3 C(=O)(C(C(....
5 4HNC Ki = 0.67 mM 0UT C14 H12 O3 c1ccc(cc1)....
6 1MDL - RMN C8 H8 O3 c1ccc(cc1)....
7 1MDR - APG C9 H10 O3 C[C@](c1cc....
8 3UXK Ki = 9.3 uM BHO C7 H7 N O2 c1ccc(cc1)....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MRA - APG C9 H10 O3 C[C@](c1cc....
2 3UXL Ki = 2.7 uM CFI C6 H6 N2 O2 c1ccc(cc1)....
3 1DTN - APG C9 H10 O3 C[C@](c1cc....
4 4FP1 Ki = 0.027 mM BFM C4 H2 F6 O3 C(=O)(C(C(....
5 4HNC Ki = 0.67 mM 0UT C14 H12 O3 c1ccc(cc1)....
6 1MDL - RMN C8 H8 O3 c1ccc(cc1)....
7 1MDR - APG C9 H10 O3 C[C@](c1cc....
8 3UXK Ki = 9.3 uM BHO C7 H7 N O2 c1ccc(cc1)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MRA - APG C9 H10 O3 C[C@](c1cc....
2 3UXL Ki = 2.7 uM CFI C6 H6 N2 O2 c1ccc(cc1)....
3 1DTN - APG C9 H10 O3 C[C@](c1cc....
4 4FP1 Ki = 0.027 mM BFM C4 H2 F6 O3 C(=O)(C(C(....
5 4HNC Ki = 0.67 mM 0UT C14 H12 O3 c1ccc(cc1)....
6 1MDL - RMN C8 H8 O3 c1ccc(cc1)....
7 1MDR - APG C9 H10 O3 C[C@](c1cc....
8 3UXK Ki = 9.3 uM BHO C7 H7 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CFI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CFI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UXL; Ligand: CFI; Similar sites found: 252
This union binding pocket(no: 1) in the query (biounit: 3uxl.bio1) has 77 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E1A MSE 0.01575 0.44042 None
2 4PNO U5P 0.02059 0.42358 None
3 3SAO DBH 0.02625 0.41975 None
4 4ORR PE3 0.01849 0.40036 0.526316
5 1Z4V DAN 0.0002226 0.44755 1.30548
6 1IGW PYR 0.03639 0.41431 1.30548
7 3OQJ 3CX 0.01777 0.42502 1.55642
8 4GZP G39 0.0000008436 0.50128 1.56658
9 3CV2 OXL 0.0367 0.41517 1.56658
10 1O9U ADZ 0.02021 0.4667 1.71429
11 3CF6 SP1 0.03052 0.41276 1.82768
12 1P7T PYR 0.03206 0.40898 1.82768
13 1F3L SAH 0.0258 0.40204 1.86916
14 3L0E G58 0.007253 0.41271 1.97628
15 4WVH ASP HIS ASP ALA HIS ALA 0.04891 0.41652 2.08877
16 3M31 FAD 0.01782 0.40578 2.08877
17 2Y7G AAE 0.004086 0.44547 2.12766
18 1A8S PPI 0.003996 0.46186 2.1978
19 3L02 CP 0.001791 0.421 2.22841
20 3L02 SN0 0.001791 0.421 2.22841
21 3TKA CTN 0.004184 0.51737 2.30548
22 1OYB FMN 0.01151 0.41303 2.34987
23 1OYB HBA 0.01136 0.4057 2.34987
24 1B5E DCM 0.008702 0.45282 2.43902
25 3NFZ 3NF 0.04829 0.41 2.44648
26 3JQ3 ADP 0.03551 0.40917 2.45902
27 3T7V MD0 0.03384 0.41793 2.57143
28 1XIU REA 0.04551 0.4023 2.6087
29 2YP9 SIA CMO 0.002016 0.462 2.61097
30 1V8K ANP 0.0001517 0.45912 2.61097
31 4QCK ASD 0.002207 0.43416 2.61097
32 1VE3 SAM 0.02218 0.41275 2.64317
33 4M7F BM3 0.00005133 0.5673 2.65487
34 2AHR NAP 0.008472 0.40107 2.7027
35 5T63 ALA ALA ALA ALA 0.02478 0.40273 2.7248
36 2Q1A 2KT 0.0002938 0.47758 2.73038
37 3V91 UPG 0.00007135 0.42571 2.74914
38 1AL8 FMN 0.00004302 0.42665 2.78552
39 3P7I P7I 0.01346 0.4482 2.80374
40 2OFE NAG 0.03756 0.43472 2.8169
41 1A5Z OXM 0.0001869 0.57372 2.82132
42 1A5Z FBP 0.01026 0.42356 2.82132
43 3PLN U5P 0.02137 0.43824 2.87206
44 3SZB I1E 0.04779 0.41019 2.87206
45 1UNB AKG 0.001249 0.40257 2.89389
46 1Z48 FMN 0.02861 0.414 2.95858
47 1Z41 FMN 0.04422 0.40566 2.95858
48 2FOI JPA 0.0419 0.41623 2.97398
49 4MOB ADP 0.0002656 0.49967 3.01205
50 1XX4 BAM 0.004933 0.47241 3.06513
51 2C2A ADP 0.03656 0.40641 3.10078
52 4QDF 30Q 0.005076 0.41698 3.13316
53 4PNI KQQ 0.008391 0.41556 3.13316
54 3KMZ EQO 0.008622 0.41002 3.13316
55 1QDS PGA 0.01333 0.4397 3.18725
56 2GN2 C5P 0.001753 0.46251 3.21637
57 3I0O ADP 0.02561 0.42637 3.24484
58 1SQ5 ADP 0.04602 0.41098 3.24675
59 1J2Z SOG 0.006477 0.44028 3.33333
60 2BJF DXC 0.00003236 0.44989 3.34347
61 3E5H GNP 0.0147 0.40645 3.37079
62 4NAO AKG 0.02836 0.4463 3.37423
63 1MVQ MMA 0.001039 0.43137 3.38983
64 3QV9 QV7 0.0188 0.44563 3.39426
65 4L1F COS 0.01499 0.40865 3.39426
66 2YYJ 4HP 0.0000001283 0.40674 3.39426
67 2YYJ FAD 0.0000001283 0.40674 3.39426
68 2Y6P CTP 0.007357 0.45179 3.4188
69 4WX0 HXD 0.03425 0.40017 3.42205
70 1XE7 GUN 0.01909 0.46815 3.44828
71 1E4E PHY 0.0173 0.42356 3.49854
72 1E4E ADP 0.03153 0.40635 3.49854
73 2Z9C FMN 0.0318 0.4035 3.5
74 4JWX 1N4 0.03145 0.42988 3.57143
75 1H8S AIC 0.0327 0.41479 3.57143
76 1B63 ANP 0.00579 0.42736 3.6036
77 2WL9 MBD 0.04822 0.40903 3.60656
78 2WLT ASP 0.001001 0.43752 3.61446
79 1KYQ NAD 0.04296 0.40069 3.64964
80 4QN6 LNV 0.00007049 0.45138 3.65535
81 1WDA BAG 0.02797 0.42836 3.65535
82 5AYC BGC BMA 0.0153 0.40705 3.65535
83 4FFS BIG 0.007461 0.42022 3.76569
84 3VOZ 04A 0.001545 0.46484 3.80952
85 1EB9 HBA 0.01429 0.43436 3.81679
86 4HE2 AMP 0.0006282 0.43863 3.84615
87 2NZ2 ASP 0.0008522 0.50728 3.87409
88 2NZ2 CIR 0.0004728 0.45519 3.87409
89 1C7S CBS 0.01298 0.43628 3.91645
90 1EYE PMM 0.01934 0.42835 3.92857
91 4B9E FAH 0.02374 0.45052 3.98671
92 1CTU ZEB 0.01226 0.4267 4.08163
93 1NU4 MLA 0.008875 0.45241 4.12371
94 1ONX ASP 0.00005597 0.48835 4.17755
95 1YBQ BDH 0.00006844 0.45769 4.17755
96 2ZJ5 ADP 0.04696 0.42519 4.17755
97 3OYZ ACO 0.002615 0.40554 4.17755
98 2FH5 GTP 0.003012 0.44515 4.20561
99 1VBR XYS XYP 0.04453 0.4075 4.26829
100 1NHZ 486 0.02555 0.40221 4.28571
101 4JN6 OXL 0.04027 0.41446 4.33526
102 3GJB AKG 0.01891 0.43659 4.38871
103 1GXU 2HP 0.01218 0.41479 4.3956
104 2Q37 3AL 0.01437 0.45159 4.41989
105 4M51 BEZ 0.002463 0.51132 4.43864
106 4C6F NCD 0.03809 0.4182 4.43864
107 4C6F DOR 0.03809 0.4182 4.43864
108 1E5F PLP 0.03214 0.41178 4.43864
109 2CFU 1DB 0.02821 0.40302 4.43864
110 1A27 EST 0.01725 0.42362 4.49827
111 2P2V CSF 0.000005632 0.44834 4.51389
112 3BMN AX3 0.02076 0.40956 4.51389
113 4N7C AEF 0.01162 0.46737 4.54545
114 3NKT 1HN 0.001607 0.43618 4.61957
115 1FNZ A2G 0.007953 0.422 4.64135
116 4J7H TRH 0.01192 0.42091 4.69974
117 2ORV 4TA 0.009972 0.41276 4.70085
118 2R5T ANP 0.01015 0.42074 4.82574
119 2IYG FMN 0.005569 0.45305 4.83871
120 1SJW NGV 0.008143 0.43781 4.86111
121 3P3N AKG 0.0009217 0.51913 4.87106
122 2WA4 069 0.008173 0.44545 4.87106
123 3F81 STT 0.0135 0.4769 4.91803
124 2J5S KTA 0.0008403 0.47171 4.94297
125 1YRX FMN 0.001853 0.46569 4.95868
126 4PB2 5UD 0.004993 0.43968 4.96084
127 3VGL ANP 0.00003322 0.46114 4.98442
128 3VGL BGC 0.0009974 0.43758 4.98442
129 1RZM PEP 0.01074 0.45306 5.02959
130 1Y75 NAG 0.00913 0.45182 5.08475
131 1S8F GDP 0.03046 0.41595 5.08475
132 3I51 45C 0.02997 0.4196 5.18518
133 4P87 4NP 0.00002008 0.50427 5.22193
134 1JQN DCO 0.00007036 0.46357 5.22193
135 4COQ SAN 0.02095 0.44814 5.26316
136 4P4T GDP 0.03462 0.40464 5.27778
137 2EJU SAH 0.02135 0.41344 5.29101
138 1FX8 BOG 0.000799 0.47695 5.33808
139 1GEE NAD 0.0009743 0.4323 5.36398
140 2Q28 ADP 0.01945 0.41225 5.48303
141 1NVV GNP 0.01884 0.40005 5.48303
142 4DEC UDP 0.009355 0.40874 5.52326
143 4DEC 3PG 0.009355 0.40874 5.52326
144 2QCX PF1 0.03732 0.43034 5.70342
145 4L7I SAM 0.01444 0.42367 5.74413
146 1HV9 UD1 0.002271 0.41763 5.74413
147 3MA0 XYP 0.04418 0.41148 5.7508
148 2GJN NIS 0.009799 0.40564 5.79268
149 1C1L GAL BGC 0.01501 0.46134 5.83942
150 3SHR CMP 0.006734 0.45359 6.02007
151 3RF4 FUN 0.03958 0.42488 6.03448
152 1VF1 GSH 0.03142 0.40641 6.11354
153 4A8H PUW 0.0001797 0.45828 6.19718
154 2Q8H TF4 0.02722 0.45915 6.26632
155 1VCO GLN 0.003024 0.42634 6.26632
156 4KOA NDP 0.03562 0.40689 6.30631
157 4IMG NGF 0.01395 0.41813 6.48464
158 4A8T PAO 0.00001924 0.41332 6.48968
159 4M5P MLA 0.00662 0.50323 6.52742
160 4M5P 23W 0.01536 0.46691 6.52742
161 2G50 PYR 0.03955 0.40912 6.52742
162 4M5P FMN 0.03268 0.40045 6.52742
163 1TV5 ORO 0.0004002 0.49205 6.54628
164 1TV5 N8E 0.002082 0.4554 6.54628
165 1TV5 A26 0.007835 0.42226 6.54628
166 1TV5 FMN 0.0004952 0.41679 6.54628
167 4Q0A 4OA 0.02998 0.40726 6.62252
168 1FWY UD1 0.0005032 0.43897 6.64653
169 2FR6 CTN 0.01201 0.42385 6.84932
170 2FR6 URI 0.01934 0.41524 6.84932
171 4K30 NLG 0.04939 0.42004 6.875
172 3A6T 8OG 0.03327 0.4008 6.97674
173 1TUV VK3 0.002127 0.52338 7.01754
174 1F52 ADP 0.03434 0.40647 7.04961
175 2EB5 OXL 0.03871 0.43402 7.11611
176 3SJU NDP 0.00325 0.41492 7.16846
177 3NGU ADP 0.002439 0.46482 7.28477
178 1Y9Q MED 0.001053 0.51612 7.29167
179 2C9O ADP 0.002267 0.41766 7.31071
180 3IAE D7K 0.008113 0.4017 7.31071
181 1N9L FMN 0.002578 0.45156 7.33945
182 1FW1 GSH 0.03122 0.41547 7.40741
183 3KMT SAH 0.03462 0.41344 7.56302
184 2XDQ MGX 0.02649 0.45984 7.5718
185 1TFZ 869 0.008571 0.42673 7.5718
186 2Y7P SAL 0.01711 0.44304 7.79817
187 2P9H IPT 0.01226 0.43346 7.80669
188 1GJW GLC 0.002997 0.49916 7.8329
189 2F2U M77 0.002352 0.47493 7.8329
190 1GJW MAL 0.003999 0.46416 7.8329
191 4L6C 0BT 0.001135 0.45482 7.92079
192 4IEN GDP 0.009045 0.40454 7.97546
193 1ULE GLA GAL NAG 0.02949 0.45095 8
194 3D2Y AH0 ALA FGA LYS 0.01099 0.42546 8.04598
195 1ECM TSA 0.01598 0.44012 8.25688
196 1F5F DHT 0.007552 0.43564 8.29268
197 1SS4 CIT 0.005291 0.50937 8.49673
198 1SS4 GSH 0.01146 0.49389 8.49673
199 4KCT PYR 0.0104 0.4491 8.61619
200 1U5R ATP 0.02458 0.41689 8.62069
201 3TI8 LNV 0.00001321 0.46677 8.87729
202 2WCI GSH 0.02543 0.43891 8.88889
203 2ET1 GLV 0.0001731 0.43708 8.95522
204 2RHQ GAX 0.02102 0.40553 9.13838
205 1QD0 RR6 0.04189 0.41287 9.375
206 1K6M AGS 0.0186 0.40761 9.39948
207 4CNO 9PY 0.0458 0.41061 9.52381
208 1ZZ7 S0H 0.01616 0.44427 9.59596
209 4Q3S X7A 0.007775 0.4104 9.66057
210 1CKM GTP 0.03251 0.42518 9.69697
211 1CFV E3G 0.00466 0.4223 9.73451
212 3QDY CBS 0.04358 0.43607 9.79021
213 4RJK PYR 0.01967 0.46087 9.92167
214 4RJK TPP 0.006924 0.41096 9.92167
215 1U6R ADP 0.02479 0.40404 10.2632
216 3WSJ MK1 0.0002396 0.41238 10.3448
217 3NOJ PYR 0.005577 0.46975 10.5042
218 1T0S BML 0.02459 0.45541 10.6061
219 2PR5 FMN 0.006242 0.43566 10.6061
220 1F1V DHY 0.04077 0.40958 10.8359
221 3B6R ADP 0.02492 0.407 11.2861
222 2ZO9 MLI 0.002409 0.47199 11.3139
223 3HAZ FAD 0.00702 0.40379 11.4883
224 1WKL ATP 0.001866 0.45738 11.6788
225 1WKL ADP 0.0004543 0.41784 11.6788
226 5RHN 8BR 0.02228 0.41876 12.1739
227 1ZS6 ADP 0.02824 0.42816 12.426
228 1F7K UMP 0.01758 0.40476 13.2353
229 3DUR KDO 0.01848 0.446 13.3929
230 1YOA FAD 0.01404 0.41239 13.8365
231 2W24 LYS 0.001833 0.42847 15.3333
232 4BG1 IVL 0.003356 0.43983 15.4047
233 4BG1 OGA 0.003356 0.43983 15.4047
234 4FUA PGH 0.0005657 0.4524 16.2791
235 3TFC PEP 0.01328 0.44849 16.7102
236 4DN8 BMA 0.005328 0.47933 17.3077
237 1LOR BMP 0.006727 0.40899 18.8596
238 2HXT EHM 0.000002291 0.61132 19.5822
239 1UGX GAL MGC 0.00009189 0.47326 20.3008
240 2GGH NLQ 0.009849 0.43046 25.6
241 2QJN KDG 0.0004813 0.49578 28.1984
242 1EC9 XYH 0.002202 0.45444 28.7206
243 2DW7 SRT 0.000002007 0.63955 31.0705
244 3DG6 MUC 0.00404 0.44978 34.0599
245 2PP3 LGT 0.000002776 0.60717 34.2037
246 3DGB MUC 0.0009261 0.48665 36.1257
247 2P8B NSK 0.0005096 0.46788 37.1274
248 3R1Z ALA DGL 0.00179 0.46739 37.467
249 3R1Z ALA GLU 0.01056 0.43278 37.467
250 3DER ALA LYS 0.000004656 0.55297 38.8406
251 1SJD NPG 0.0002422 0.47424 40.4891
252 1TKK ALA GLU 0.001115 0.46855 43.7158
Pocket No.: 2; Query (leader) PDB : 3UXL; Ligand: CFI; 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: 3uxl.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3UXL; Ligand: CFI; Similar sites found: 196
This union binding pocket(no: 3) in the query (biounit: 3uxl.bio2) has 59 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.03362 0.4131 None
2 3CKZ ZMR 0.0000006992 0.45417 1.30548
3 3FSJ D7K 0.00062 0.40404 1.30548
4 1I9G SAM 0.00003236 0.41893 1.42857
5 2RDT FMN 0.0000005051 0.47364 1.56658
6 2RDT 2RD 0.000001425 0.47257 1.56658
7 2VDJ HSE 0.02074 0.43457 1.66113
8 1XMV ADP 0.00009452 0.41273 1.68539
9 3IPQ 965 0.0007817 0.40781 1.76678
10 2NCD ADP 0.02568 0.41406 1.82768
11 1LTH NAD 0.00006754 0.41741 1.88088
12 3CL7 HYN 0.000001801 0.40646 1.94805
13 1RM4 NDP 0.00005036 0.42636 2.07715
14 2IMP NAI 0.000008029 0.46094 2.08877
15 1Q3Q ANP 0.000003275 0.45507 2.08877
16 1V5F TPP 0.001583 0.42081 2.08877
17 1V5F FAD 0.001583 0.42081 2.08877
18 3A1I UNU 0.01089 0.41773 2.08877
19 1YOE RIB 0.00001123 0.40392 2.17391
20 1JA9 NDP 0.0001496 0.42052 2.18978
21 3MD0 GDP 0.01516 0.4157 2.25352
22 2JEN GLC GLC BGC XYS BGC XYS 0.0002809 0.41536 2.29885
23 1Y0L HAN 0.03134 0.43809 2.31481
24 3Q3C NAD 0.00001303 0.4355 2.34114
25 1Y42 TYR 0.001079 0.47228 2.34987
26 4G87 UD1 0.00002612 0.42181 2.34987
27 4LCQ URQ 0.000002063 0.41918 2.34987
28 1P1M MET 0.002768 0.41143 2.34987
29 2ZYF AKG 0.02332 0.40738 2.35602
30 4C25 13P 0.000002494 0.41208 2.35849
31 1K27 MTM 0.00009744 0.42824 2.4735
32 4IVG ANP 0.0000002589 0.476 2.61097
33 1N6B DMZ 0.000004351 0.42773 2.61097
34 1PJ6 FOL 0.000008367 0.42199 2.61097
35 3O2K QRP 0.02129 0.4052 2.61097
36 3WAS BGC BMA 0.0008887 0.40064 2.61097
37 4ASJ N6A 0.001187 0.42078 2.73038
38 4N02 FNR 0.000000624 0.4689 2.80112
39 1RP0 AHZ 0.00006712 0.42981 2.8169
40 3K37 BCZ 0.00001414 0.4527 2.87206
41 4AF0 IMP 0.000004326 0.44293 2.87206
42 1BDB NAD 0.00004483 0.43606 2.88809
43 1UNB PN1 0.00002694 0.40288 2.89389
44 1Z44 NPO 0.02186 0.45514 2.95858
45 2NLI LAC 0.00001274 0.43356 2.98913
46 2NLI FMN 0.00001274 0.43356 2.98913
47 1DXY NAD 0.0001578 0.43186 3.003
48 2R7K ACP 0.001109 0.40966 3.04709
49 2R7K AMZ 0.001109 0.40966 3.04709
50 2BMK PDD 0.04669 0.40839 3.09735
51 2JBH 5GP 0.001022 0.46736 3.11111
52 3DJL FAD 0.0001134 0.4295 3.13316
53 4KS1 2H8 0.00004011 0.41428 3.13316
54 1H8G CHT 0.02126 0.45586 3.15789
55 1ZK4 AC0 0.00002163 0.44917 3.18725
56 1ZK4 NAP 0.00002163 0.44917 3.18725
57 2PJL 047 0.00001015 0.41361 3.23887
58 3I0O SMI 0.01699 0.42254 3.24484
59 1SQ5 PAU 0.009839 0.42868 3.24675
60 3CQ5 PMP 0.003667 0.44292 3.25203
61 1EDO NAP 0.000001956 0.47078 3.27869
62 1LDM NAD 0.00005765 0.42832 3.34347
63 1YBH FAD 0.0001585 0.42939 3.39426
64 1YBH P22 0.000001545 0.428 3.39426
65 3ZPG 5GP 0.02766 0.43423 3.40314
66 1OMZ UD2 0.00001586 0.4241 3.41297
67 4CMF PXG 0.00000001692 0.50572 3.41615
68 1Q11 TYE 0.002544 0.45539 3.49462
69 1V6A TRE 0.01294 0.42811 3.61446
70 2ZI8 SDT 0.0000001373 0.44751 3.66667
71 4OHB 5HM 0.01066 0.4066 3.68421
72 3K9W ADE 0.0004251 0.42143 3.74332
73 3K9W 4PS 0.0004251 0.42143 3.74332
74 1JQ5 NAD 0.004024 0.40429 3.78378
75 4OB6 S2T 0.0009722 0.44769 3.81232
76 4NVP 7CH 0.000001665 0.43349 3.82775
77 3CH5 GDP 0.000267 0.41272 3.84615
78 3MAG 3MA 0.001688 0.50971 3.90879
79 1ZFJ IMP 0.000129 0.43665 3.91645
80 3I8P 840 0.009602 0.4084 3.91645
81 1G6O ADP 0.00003063 0.42813 3.93939
82 1P4C FMN 0.000007244 0.45385 3.94737
83 2BGM NAJ 0.000002238 0.45933 3.95683
84 3HB5 E2B 0.002864 0.40466 3.97554
85 1T26 NAI 0.00001051 0.46622 4.03727
86 1T26 GBD 0.00001051 0.46622 4.03727
87 2GJ3 FAD 0.000007052 0.46091 4.16667
88 3GX0 GDS 0.007594 0.40218 4.18605
89 3S9K CIT 0.009966 0.48179 4.23729
90 1ZJ6 G3D 0.007958 0.41937 4.27807
91 4CCO OGA 0.0003497 0.49447 4.43864
92 3GTD MLI 0.008559 0.43655 4.43864
93 3RO7 TDR 0.000008059 0.47013 4.5283
94 3OCZ SRA 0.01277 0.40013 4.58015
95 1F8F NAD 0.0002199 0.40627 4.58221
96 3FPZ AHZ 0.00009951 0.43105 4.60123
97 2QLX RM4 0.00388 0.46529 4.62963
98 3LTW HLZ 0.009923 0.43895 4.64286
99 1GU3 BGC BGC BGC BGC BGC 0.02127 0.41339 4.69799
100 4GQB 0XU 0.00000006453 0.49384 4.69974
101 2ZWS PLM 0.03408 0.44365 4.69974
102 1I2B UPG 0.0003387 0.43453 4.69974
103 1I2B NAD 0.0003387 0.43453 4.69974
104 1I2B USQ 0.0003387 0.43453 4.69974
105 2B7N NTM 0.01602 0.42374 4.7619
106 2C1Q BTN 0.00001327 0.41956 4.7619
107 2H6B 3C4 0.00001485 0.43615 4.8
108 1I2L DCS 0.002758 0.41832 4.83271
109 3KJQ B94 0.02252 0.40045 4.87805
110 1UF5 CDT 0.01045 0.4185 4.9505
111 1RSD PSB 0.0007157 0.43682 4.95868
112 1G41 ADP 0.000001149 0.41433 4.96084
113 2ZSC BTN 0.002997 0.4326 4.96454
114 2HNK SAH 0.006293 0.40518 5.02092
115 1RZM E4P 0.00743 0.45115 5.02959
116 1G8S MET 0.0171 0.42746 5.21739
117 2QS8 MET 0.0000007271 0.42804 5.22193
118 4G1V FAD 0.0003821 0.42274 5.22193
119 1W7J ADP BEF 0.01089 0.4028 5.29801
120 2YGO PCF 0.001265 0.40434 5.31915
121 1NVU GTP 0.000008164 0.44279 5.48303
122 3O03 NAP 0.0001244 0.41442 5.49828
123 4IXW IXW 0.01451 0.41653 5.51181
124 4F8L GAL 0.049 0.4342 5.51724
125 2W3L DRO 0.0136 0.45101 5.55556
126 2HMT NAI 0.000007201 0.43743 5.55556
127 2O66 FLC 0.0403 0.40475 5.92593
128 1I0Z OXM 0.02202 0.43964 6.00601
129 1I0Z NAI 0.0005281 0.41291 6.00601
130 1VQ2 DDN 0.000006596 0.45121 6.21762
131 4KCF AKM 0.00000005513 0.49285 6.26632
132 4KCF FMN 0.000002204 0.43489 6.26632
133 2IZ1 ATR 0.01941 0.42477 6.26632
134 2YLD CMO 0.01071 0.43733 6.29921
135 3BY8 MLT 0.02585 0.42388 6.33803
136 1JH7 UVC 0.00003239 0.40929 6.34921
137 4E13 NAD 0.004181 0.40836 6.36042
138 3OIG IMJ 0.000002211 0.42705 6.39098
139 3OIG NAD 0.00006294 0.42385 6.39098
140 2Z9V PXM 0.002552 0.45532 6.52742
141 2VKL MLT 0.02347 0.44524 6.66667
142 3MB5 SAM 0.00001543 0.43147 6.66667
143 4MWV BCZ 0.000006707 0.42446 6.78851
144 2HFK E4H 0.0162 0.4188 6.89655
145 4B7J G39 0.0000009287 0.43446 7.04961
146 5DTF 5CT 0.02634 0.43218 7.04961
147 5DS8 GLY 5CT GLY ALA 0.02767 0.42801 7.04961
148 1KTC NGA 0.01497 0.42037 7.04961
149 4HPP GLU 0.0001613 0.41304 7.04961
150 1PEA ACM 0.008888 0.45379 7.31071
151 1QO0 BMD 0.01501 0.43021 7.31071
152 4HZX G39 0.00002733 0.41315 7.5718
153 3SIX GDP 0.01279 0.41076 7.57576
154 1GSA ADP 0.00000007692 0.48642 7.59494
155 1GSA GSH 0.000006513 0.43083 7.59494
156 2BLE 5GP 0.000001783 0.464 7.62943
157 2Z5Y HRM 0.000004721 0.47861 7.8329
158 1D09 PAL 0.00226 0.40513 7.84314
159 4OYA 1VE 0.001422 0.40809 8.094
160 1EXB NDP 0.00005381 0.43393 8.13253
161 2WGC SIA GAL BGC 0.02201 0.45497 8.18713
162 3UEC ALA ARG TPO LYS 0.03799 0.41538 8.21918
163 1X1T NAD 0.00006171 0.43233 8.46154
164 4KCT FDP 0.007828 0.41967 8.61619
165 3QVL 5HY 0.00006123 0.41748 8.61619
166 3M0J OAF 0.000001723 0.42313 8.79479
167 43CA NPO 0.03099 0.44958 8.84956
168 1EJE FMN 0.004054 0.41568 8.85417
169 2XD9 XD9 0.00006064 0.46119 8.98204
170 2Q09 DI6 0.001369 0.46176 9.13838
171 4TMK T5A 0.0001442 0.44115 9.38967
172 2C5S AMP 0.01137 0.42123 9.39948
173 1OFH ADP 0.00001279 0.44083 9.77011
174 3QDT A2G GAL 0.01285 0.44544 9.79021
175 3QDY A2G GAL 0.01857 0.43709 9.79021
176 1WVC CTP 0.0002012 0.42527 10.0386
177 4EKV BTN 0.00000004533 0.46512 10.0629
178 4A3R CIT 0.0000007289 0.44353 10.1828
179 1KW6 BPY 0.00000102 0.4724 10.274
180 2BOI MFU 0.002949 0.45247 10.6195
181 3MMR ABH 0.000109 0.41406 11.2272
182 4JP3 CIT 0.00001128 0.41044 12.1339
183 2X61 NGA GAL SIA 0.0002376 0.40718 12.7907
184 1QCA FUA 0.0001096 0.42177 13.1455
185 2FWP ICR 0.00001845 0.40893 14.2077
186 3IU9 T07 0.0000131 0.44056 14.9306
187 1DBT U5P 0.003668 0.41732 15.0628
188 3R51 MMA 0.0008361 0.51642 15.625
189 3ZZS TRP 0.0000008341 0.44339 18.4615
190 3NJQ NJQ 0.000006248 0.40095 18.6528
191 4M4Q 21A 0.002355 0.40749 18.6722
192 2FYU FDN 0.008569 0.40346 24.359
193 2PN6 GLN 0.0001065 0.42597 25.3333
194 3CXO 1N5 0.0000000000002577 0.57408 28.7206
195 1MXI SAH 0.001334 0.4338 33.125
196 3HPF GAE 0.00002632 0.40745 40.2089
Pocket No.: 4; Query (leader) PDB : 3UXL; Ligand: CFI; 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: 3uxl.bio2) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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