Receptor
PDB id Resolution Class Description Source Keywords
2BNE 2.3 Å EC: 2.7.4.4 THE STRUCTURE OF E. COLI UMP KINASE IN COMPLEX WITH UMP ESCHERICHIA COLI TRANSFERASE NUCLEOSIDE MONOPHOSPHATE KINASE PYRIMIDINE BIOSYNTHESIS
Ref.: STRUCTURE OF ESCHERICHIA COLI UMP KINASE DIFFERS FROM THAT OF OTHER NUCLEOSIDE MONOPHOSPHATE KINASES AND SHEDS NEW LIGHT ON ENZYME REGULATION. J.BIOL.CHEM. V. 280 25533 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1243;
A:1244;
A:1245;
A:1246;
B:1243;
B:1244;
B:1245;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
U5P A:1242;
B:1242;
Valid;
Valid;
none;
none;
submit data
324.181 C9 H13 N2 O9 P C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BNE 2.3 Å EC: 2.7.4.4 THE STRUCTURE OF E. COLI UMP KINASE IN COMPLEX WITH UMP ESCHERICHIA COLI TRANSFERASE NUCLEOSIDE MONOPHOSPHATE KINASE PYRIMIDINE BIOSYNTHESIS
Ref.: STRUCTURE OF ESCHERICHIA COLI UMP KINASE DIFFERS FROM THAT OF OTHER NUCLEOSIDE MONOPHOSPHATE KINASES AND SHEDS NEW LIGHT ON ENZYME REGULATION. J.BIOL.CHEM. V. 280 25533 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BNE - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BNE - U5P C9 H13 N2 O9 P C1=CN(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BNE - U5P C9 H13 N2 O9 P C1=CN(C(=O....
2 4A7X - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 4A7W - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U5P; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 U5P 1 1
2 44P 0.790323 0.941176
3 UDP 0.78125 0.984615
4 UTP 0.746269 0.984615
5 2KH 0.735294 0.955224
6 UDP UDP 0.727273 0.953846
7 UPU 0.694444 0.954545
8 UNP 0.690141 0.955224
9 URM 0.662338 0.913043
10 660 0.662338 0.913043
11 URI 0.661017 0.848485
12 U 0.661017 0.848485
13 UFM 0.641026 0.926471
14 GDU 0.641026 0.926471
15 UPG 0.641026 0.926471
16 GUD 0.641026 0.926471
17 U2F 0.6375 0.875
18 UPF 0.6375 0.875
19 Y6W 0.632911 0.875
20 UDH 0.628205 0.851351
21 UPP 0.628205 0.926471
22 UFG 0.617284 0.875
23 CJB 0.603175 0.80597
24 UDX 0.597561 0.926471
25 UAD 0.597561 0.926471
26 UDP GAL 0.597561 0.898551
27 3UC 0.588235 0.875
28 U U 0.585366 0.969697
29 UGB 0.583333 0.940298
30 USQ 0.583333 0.807692
31 UGA 0.583333 0.940298
32 5FU 0.57971 0.927536
33 G3N 0.576471 0.9
34 U3P 0.573529 0.953846
35 UA3 0.573529 0.953846
36 C 0.571429 0.941176
37 CH 0.571429 0.926471
38 CAR 0.571429 0.941176
39 C5P 0.571429 0.941176
40 UDM 0.568182 0.9
41 5BU 0.56338 0.927536
42 U4S 0.557143 0.763889
43 UD1 0.555556 0.913043
44 UD2 0.555556 0.913043
45 CSQ 0.550562 0.863014
46 CSV 0.550562 0.863014
47 U3S 0.541667 0.763889
48 U2S 0.541667 0.777778
49 CNU 0.540541 0.941176
50 S5P 0.535211 0.901408
51 16B 0.534247 0.901408
52 U2P 0.528571 0.939394
53 DU 0.527778 0.911765
54 UMP 0.527778 0.911765
55 HP7 0.526882 0.926471
56 UD7 0.526882 0.913043
57 MJZ 0.521277 0.9
58 UP6 0.521127 0.884058
59 UD4 0.515789 0.9
60 HWU 0.515789 0.887324
61 12V 0.515789 0.887324
62 BMP 0.513889 0.955224
63 UP5 0.510204 0.84
64 DKX 0.507246 0.732394
65 U6M 0.506849 0.969697
66 NUP 0.506849 0.927536
67 IUG 0.505155 0.797468
68 EPZ 0.5 0.9
69 U1S 0.5 0.76
70 JW5 0.5 0.955224
71 4TC 0.5 0.818182
72 EPU 0.49505 0.887324
73 A U 0.49505 0.815789
74 EEB 0.49505 0.887324
75 UDZ 0.494949 0.84
76 H2U 0.486111 0.911765
77 6AU 0.480519 0.969697
78 OMP 0.480519 0.969697
79 6CN 0.480519 0.941176
80 TKW 0.48 0.927536
81 UMF 0.479452 0.869565
82 UUA 0.477612 0.757576
83 U U U U 0.476744 0.954545
84 BMQ 0.472222 0.939394
85 PUP 0.47191 0.926471
86 5HM 0.467532 0.888889
87 O7E 0.463415 0.941176
88 ICR 0.460526 0.830986
89 UMA 0.458716 0.9
90 O7M 0.45679 0.941176
91 UC5 0.455696 0.885714
92 UTP U U U 0.454545 0.909091
93 CDP 0.45 0.927536
94 2TU 0.449275 0.760563
95 FNU 0.441558 0.876712
96 2QR 0.439655 0.810127
97 N3E 0.4375 0.743243
98 DUD 0.4375 0.898551
99 2OM 0.435897 0.925373
100 U22 0.434783 0.777778
101 U21 0.434783 0.797468
102 U20 0.434783 0.797468
103 DUT 0.433735 0.898551
104 CTP 0.433735 0.927536
105 8OP 0.428571 0.849315
106 8GM 0.421687 0.853333
107 5GW 0.420455 0.927536
108 U A A U 0.418803 0.853333
109 4RA 0.414634 0.842105
110 DUP 0.411765 0.873239
111 DUN 0.409639 0.873239
112 CDP MG 0.409639 0.861111
113 UD0 0.408 0.831169
114 UVC 0.407895 0.842857
115 UM3 0.407895 0.897059
116 C5G 0.404255 0.875
117 UPA 0.401869 0.828947
118 A U C C 0.401639 0.794872
119 A G U 0.4 0.7875
120 UAG 0.4 0.851351
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BNE; Ligand: U5P; Similar sites found: 527
This union binding pocket(no: 1) in the query (biounit: 2bne.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BZ1 TAU 0.002697 0.50041 None
2 1PTR PRB 0.001444 0.47811 None
3 4F8L GAL 0.007155 0.47594 None
4 1UO4 PIH 0.007139 0.46659 None
5 3S9K CIT 0.009072 0.46517 None
6 2E1A MSE 0.001615 0.45 None
7 1DUC DUD 0.0003914 0.43792 None
8 1H8G CHT 0.04122 0.43171 None
9 2ALG DAO 0.007498 0.43139 None
10 2Q37 3AL 0.008238 0.42952 None
11 3SHR CMP 0.004577 0.42579 None
12 3NJQ NJQ 0.0004043 0.41673 None
13 3SJ0 DXC 0.02954 0.41377 None
14 1LNX URI 0.01788 0.40942 None
15 1GXU 2HP 0.002211 0.40638 None
16 4NVP 7CH 0.0001425 0.4042 None
17 3RGG AIR 0.01884 0.40009 None
18 1J2Z SOG 0.0003027 0.45571 0.829876
19 2XNJ FAD 0.02025 0.41157 1.24481
20 3Q3C NAD 0.0001866 0.42613 1.33779
21 1FW1 GSH 0.01119 0.40172 1.38889
22 3W8S GSH 0.005431 0.43781 1.45631
23 2YP9 SIA CMO 0.0001843 0.46386 1.65975
24 4E28 9MZ 0.004108 0.44936 1.65975
25 1C3V PDC 0.005325 0.4382 1.65975
26 4IXW IXW 0.006451 0.42417 1.65975
27 4QCK ASD 0.0004487 0.41875 1.65975
28 2FOI JPA 0.008098 0.41545 1.65975
29 4I9A NCN 0.0006227 0.40467 1.65975
30 2B9W FAD 0.03391 0.40005 1.65975
31 3K7S R52 0.009475 0.41658 1.67598
32 2Y6P CTP 0.002805 0.43466 1.7094
33 4P9Z NMI PTR 02K ASN NH2 0.02136 0.40597 1.7094
34 3P7I P7I 0.00469 0.43523 1.86916
35 2VQ5 HBA 0.02165 0.42044 1.99005
36 3UIE ADX 0.01181 0.4008 2
37 4B7E OGA 0.0007218 0.47784 2.07469
38 1PEA ACM 0.002123 0.47763 2.07469
39 1Z42 HBA 0.009374 0.46889 2.07469
40 2W8Q SIN 0.003425 0.45977 2.07469
41 1QO0 BMD 0.002904 0.45649 2.07469
42 5T63 ALA ALA ALA ALA 0.000101 0.45167 2.07469
43 1H2M OGA 0.006018 0.44152 2.07469
44 2Q8M AMP 0.002503 0.43191 2.07469
45 3FXU TSU 0.0002757 0.4291 2.07469
46 2X61 CH 0.00003662 0.42656 2.07469
47 2OWZ F6P 0.001698 0.42531 2.07469
48 3TKA CTN 0.02285 0.42503 2.07469
49 2R5T ANP 0.0006432 0.42451 2.07469
50 1Z42 FMN 0.004194 0.42283 2.07469
51 4M51 BEZ 0.03056 0.41858 2.07469
52 2OWZ CIT 0.001036 0.41751 2.07469
53 3TFC PEP 0.01246 0.4164 2.07469
54 2XUM OGA 0.02744 0.41021 2.07469
55 3LST SAH 0.007263 0.40914 2.07469
56 3TKA SAM 0.002532 0.40777 2.07469
57 1H2K OGA 0.03384 0.40585 2.07469
58 1UAY ADN 0.009311 0.40488 2.07469
59 1MVQ MMA 0.000009539 0.45 2.11864
60 1QXA GLY GLY GLY 0.007361 0.4321 2.12766
61 2XI7 XI7 0.000851 0.52929 2.17391
62 2YD6 FLC 0.001643 0.53458 2.35849
63 1U3I GSH 0.003109 0.44888 2.36967
64 1LDM OXM 0.0001326 0.48983 2.48963
65 1RYI GOA 0.007189 0.47861 2.48963
66 4PB2 5UD 0.0000549 0.47548 2.48963
67 1NML CIT 0.0006979 0.47184 2.48963
68 2HFK E4H 0.001603 0.45587 2.48963
69 3MD0 GDP 0.002025 0.44579 2.48963
70 2QCX PF1 0.004291 0.44248 2.48963
71 1SAZ ACP 0.0001839 0.44233 2.48963
72 5D63 FUC GLA GLA 0.006264 0.4407 2.48963
73 1LYX PGA 0.001728 0.43372 2.48963
74 3L6R MLI 0.01423 0.42943 2.48963
75 5D63 FUC GAL GLA 0.006059 0.42535 2.48963
76 2Q3M MLA 0.03135 0.42411 2.48963
77 1Q11 TYE 0.00967 0.4213 2.48963
78 1MOQ GLP 0.001809 0.42028 2.48963
79 3E9K 3XH 0.008229 0.41963 2.48963
80 3GTD MLI 0.01407 0.41885 2.48963
81 3WCS MAN NAG GAL 0.007759 0.41622 2.48963
82 1R6W 164 0.00424 0.41431 2.48963
83 2WPF WPF 0.04304 0.41261 2.48963
84 2P4Q FLC 0.02444 0.41261 2.48963
85 3WCS MAN NAG 0.02054 0.40673 2.48963
86 4UAL 3FV 0.00549 0.40627 2.48963
87 3NCQ ATP 0.001485 0.41579 2.52101
88 1ULE GLA GAL NAG 0.04453 0.41013 2.66667
89 3UEC ALA ARG TPO LYS 0.01913 0.4231 2.73973
90 3HZL 6PC 0.001966 0.48789 2.77078
91 3ZGE ASP 0.002 0.47894 2.90456
92 2DVZ GLU 0.0003091 0.47454 2.90456
93 3L24 GOA 0.004498 0.4689 2.90456
94 2ZWS PLM 0.01639 0.45509 2.90456
95 4M5P MLA 0.01216 0.4538 2.90456
96 4M5P 23W 0.008287 0.44757 2.90456
97 2FGQ MLT 0.005132 0.4448 2.90456
98 1LCP PLU 0.000132 0.43548 2.90456
99 3JQ3 ADP 0.002782 0.43481 2.90456
100 2VJJ RAM GLC GAL NAG NAG GLC 0.0001671 0.42509 2.90456
101 3ZF8 GDP 0.006124 0.42052 2.90456
102 1VCO GLN 0.0003507 0.41863 2.90456
103 1KTC NGA 0.0157 0.41194 2.90456
104 2OHV NHL 0.01523 0.4081 2.90456
105 4M5P FMN 0.002756 0.40649 2.90456
106 2GJN FMN 0.001246 0.40477 2.90456
107 2F2U M77 0.0147 0.40461 2.90456
108 1I2L DCS 0.004455 0.40257 2.90456
109 1AX2 NDG GAL 0.001754 0.45414 2.92887
110 2JE7 XMM 0.00003132 0.45094 2.92887
111 3NOJ PYR 0.0008375 0.47156 2.94118
112 3WUD GLC GAL 0.00684 0.45181 2.94118
113 1XIU REA 0.006961 0.40242 3.04348
114 2YLD CMO 0.00603 0.44148 3.14961
115 2F59 INI 0.004927 0.40444 3.18471
116 4C81 CDP 0.00207 0.41257 3.26087
117 2HVK TBA 0.0004668 0.49396 3.30189
118 4LO6 SIA GAL 0.00001063 0.58818 3.3195
119 3B9Z CO2 0.0005807 0.48949 3.3195
120 3LTW HLZ 0.0006028 0.48872 3.3195
121 2P41 G1G 0.001628 0.44985 3.3195
122 1ONX ASP 0.00004096 0.44735 3.3195
123 1EDO NAP 0.0001008 0.44601 3.3195
124 3NNF AKG 0.004934 0.4456 3.3195
125 4AF0 MOA 0.0001694 0.43592 3.3195
126 1V5F TPP 0.00211 0.4329 3.3195
127 1V5F FAD 0.00211 0.4329 3.3195
128 1CBF SAH 0.001432 0.43238 3.3195
129 4ME6 ADP 0.007797 0.43062 3.3195
130 4HE2 AMP 0.0000612 0.42722 3.3195
131 4HZD COA 0.00003829 0.42662 3.3195
132 3SSO SAH 0.0007494 0.42607 3.3195
133 1D3V ABH 0.000344 0.42238 3.3195
134 3M0J OAF 0.0001112 0.41991 3.3195
135 1WNG SAH 0.002058 0.41448 3.3195
136 2C9O ADP 0.0001771 0.41108 3.3195
137 3AQT RCO 0.02292 0.40934 3.3195
138 4J7H TLO 0.002283 0.40932 3.3195
139 4IU0 ABH 0.001819 0.40925 3.3195
140 1FBL HTA 0.01453 0.40482 3.3195
141 1J78 OLA 0.01115 0.4035 3.3195
142 2CXG GLC GLC 0.02231 0.40311 3.3195
143 4N9Z V3L 0.0153 0.40253 3.3195
144 3VOZ 04A 0.03035 0.40242 3.3195
145 3E5H GNP 0.001128 0.40938 3.37079
146 4Q3F TLA 0.0007687 0.48374 3.4188
147 3CBG FER 0.00829 0.45485 3.44828
148 3CBG 4FE 0.02487 0.43655 3.44828
149 3KYF 5GP 5GP 0.0008507 0.45624 3.4632
150 3EYK EYK 0.0003736 0.49853 3.48837
151 2OFD NGA 0.001202 0.47458 3.52113
152 2OFE NAG 0.001391 0.47158 3.52113
153 1N9L FMN 0.005424 0.40292 3.66972
154 2QLX RM4 0.02089 0.42121 3.7037
155 1YOE RIB 0.002284 0.44355 3.72671
156 1LTH OXM 0.00005276 0.50649 3.73444
157 3IHB TRS 0.002374 0.48841 3.73444
158 1LTH FBP 0.0008357 0.48203 3.73444
159 1XX4 BAM 0.0009513 0.46907 3.73444
160 3FPZ AHZ 0.00008959 0.4534 3.73444
161 3NKS ACJ 0.0008787 0.44051 3.73444
162 4N02 FNR 0.00009012 0.43534 3.73444
163 3A2Q ACA ACA 0.0009978 0.43393 3.73444
164 2VDJ HSE 0.0224 0.42551 3.73444
165 3I0O ADP 0.005161 0.42362 3.73444
166 2EJU SAH 0.001498 0.42327 3.73444
167 4GK9 MAN BMA MAN MAN MAN 0.01143 0.41902 3.73444
168 1W7J ADP BEF 0.002548 0.41873 3.73444
169 1O68 KIV 0.01225 0.41674 3.73444
170 4KCF AKM 0.0003891 0.41498 3.73444
171 1WVG APR 0.0008122 0.41063 3.73444
172 2O2C G6Q 0.006363 0.40754 3.73444
173 4F2Q QUS 0.008453 0.40653 3.73444
174 1EB9 HBA 0.01102 0.40579 3.73444
175 4WB7 ATP 0.0117 0.40282 3.73444
176 1SJD NPG 0.001824 0.40265 3.73444
177 1CTU ZEB 0.007128 0.40203 3.73444
178 1H65 GDP 0.003972 0.40099 3.73444
179 1MXI SAH 0.00284 0.41315 3.75
180 1JN2 SFP 0.04907 0.4416 3.79747
181 1A5V Y3 0.01102 0.42373 3.79747
182 1WHT BZS 0.005454 0.44354 3.92157
183 1D09 PAL 0.006533 0.40582 3.92157
184 4AP9 1PS 0.0002574 0.4465 3.9801
185 4G28 0W8 0.001456 0.45193 4.02685
186 1VQ2 DDN 0.005516 0.4062 4.14508
187 3K3G MMU 0.000074 0.51888 4.14938
188 1H16 PYR 0.0037 0.46537 4.14938
189 9LDB OXM 0.01442 0.44971 4.14938
190 1WTC ACP 0.006124 0.44741 4.14938
191 3U1T MLI 0.007148 0.44412 4.14938
192 4OYA 1VE 0.0005079 0.43907 4.14938
193 5EQU AKG 0.02149 0.42644 4.14938
194 3CEV ARG 0.008174 0.41975 4.14938
195 9LDT OXM 0.04964 0.41973 4.14938
196 1M1B SPV 0.01476 0.4179 4.14938
197 1JCM 137 0.0003497 0.41206 4.14938
198 4CIB 7UZ 0.02164 0.41025 4.14938
199 2OYS FMN 0.002875 0.40585 4.14938
200 3BRE C2E 0.03387 0.40583 4.14938
201 4CCO OGA 0.02793 0.40076 4.14938
202 4K7O EKZ 0.0005267 0.49953 4.16667
203 2W3L DRO 0.0289 0.42601 4.16667
204 4FGC PQ0 0.003608 0.44593 4.24242
205 3KJQ B94 0.003757 0.42476 4.26829
206 1YOA FMN 0.01152 0.46397 4.40252
207 1YOA FAD 0.001786 0.40952 4.40252
208 3GM5 CIT 0.03224 0.40686 4.40252
209 1XE7 GUN 0.01667 0.43875 4.4335
210 1KDK DHT 0.002914 0.40233 4.51977
211 2VMD MBG 0.0002379 0.53628 4.56432
212 1HQL GLA MBG 0.0007121 0.49313 4.56432
213 1A8S PPI 0.0001326 0.48664 4.56432
214 1ZUW DGL 0.0008182 0.46267 4.56432
215 1I1Q TRP 0.001294 0.45413 4.56432
216 2NZ2 ASP 0.002758 0.44544 4.56432
217 2ZJ5 ADP 0.006724 0.43356 4.56432
218 1P9B GDP 0.001446 0.42792 4.56432
219 1FS5 TLA 0.0001668 0.42676 4.56432
220 1P9B HDA 0.009766 0.42613 4.56432
221 1T26 NAI 0.001335 0.4235 4.56432
222 1T26 GBD 0.001335 0.4235 4.56432
223 3IB9 BTN 0.0245 0.42059 4.56432
224 2VAR KDG 0.006767 0.4144 4.56432
225 1P9B IMO 0.0008564 0.41323 4.56432
226 1C7R PA5 0.01032 0.41104 4.56432
227 4NAO AKG 0.03474 0.41027 4.56432
228 4MIG G3F 0.0191 0.40751 4.56432
229 3A2Y TS5 0.0009766 0.43428 4.56853
230 1H8P PC 0.009512 0.45169 4.58716
231 1R5A GTS 0.02224 0.40099 4.58716
232 4FUA PGH 0.00001349 0.4622 4.65116
233 4LFL TG6 0.01386 0.40849 4.65116
234 4C25 13P 0.00001917 0.44921 4.71698
235 2DBX GLU 0.01829 0.41293 4.73684
236 4M7F BM3 0.0003146 0.48714 4.86726
237 3VPQ GSH 0.001022 0.47096 4.90196
238 4IEN GDP 0.00004715 0.44347 4.90798
239 4IEN COA 0.0003827 0.40184 4.90798
240 2NUO BGC 0.02607 0.40507 4.91803
241 1O9U ADZ 0.000375 0.52586 4.97925
242 2IZ1 ATR 0.00195 0.46465 4.97925
243 1GPJ CIT 0.004226 0.44879 4.97925
244 4KCT PYR 0.002521 0.44171 4.97925
245 3PLN U5P 0.004255 0.43711 4.97925
246 3D2Y AH0 ALA FGA LYS 0.0007628 0.43393 4.97925
247 4KCT FDP 0.002296 0.43343 4.97925
248 2NVK NAP 0.005274 0.43298 4.97925
249 3UDG TMP 0.02314 0.43117 4.97925
250 3I8P 840 0.001905 0.42763 4.97925
251 1V6A TRE 0.01431 0.41852 4.97925
252 1SQ5 ADP 0.005977 0.41659 4.97925
253 3B9Q MLI 0.0263 0.41519 4.97925
254 3O7B SAH 0.00278 0.41349 4.97925
255 3RHZ UDP 0.004337 0.40646 4.97925
256 1NJR XYL 0.0007656 0.40506 4.97925
257 4L6H HCS 0.02642 0.40371 4.97925
258 3MBI HSX 0.02221 0.40235 4.97925
259 4A6F SEP 0.009242 0.46039 5
260 2PMP C5P 0.0006255 0.45108 5
261 2WCV FUC 0.01515 0.40821 5
262 4K30 NLG 0.01249 0.40758 5
263 1TH8 ADP 0.0007406 0.45874 5.17241
264 3UWB BB2 0.01274 0.42609 5.19481
265 1Y9Q MED 0.01364 0.42468 5.20833
266 3ZPG 5GP 0.003812 0.4727 5.2356
267 4OHB 5HM 0.0009887 0.43855 5.26316
268 1A5Z OXM 0.0001572 0.53497 5.32915
269 1A5Z FBP 0.0006252 0.43284 5.32915
270 3VCA PRO 0.0003694 0.48753 5.39419
271 4C2G ALA ALA ALA ALA 0.0005283 0.47081 5.39419
272 4HZO COA 0.001457 0.4577 5.39419
273 4WBD CIT 0.007994 0.44836 5.39419
274 2ZO9 MLI 0.001268 0.4464 5.39419
275 4OE4 NAD 0.00001614 0.44547 5.39419
276 1JA9 NDP 0.0001378 0.44187 5.39419
277 4W6Z ETF 0.01721 0.43801 5.39419
278 4LKK SIA GAL 0.0007434 0.43433 5.39419
279 4KGM ATP 0.002586 0.43134 5.39419
280 2ZE3 AKG 0.009446 0.4268 5.39419
281 2C2A ADP 0.001632 0.42595 5.39419
282 1CKN GTP 0.007372 0.42168 5.39419
283 2Q28 ADP 0.002688 0.41036 5.39419
284 3T1A 5MA 0.004016 0.40767 5.39419
285 1UF5 CDT 0.01366 0.40594 5.39419
286 4IHQ ADP 0.02221 0.40101 5.39419
287 4JP3 CIT 0.002373 0.43285 5.43933
288 1XTT U5P 0.01059 0.40268 5.55556
289 3QDY CBS 0.0005897 0.49713 5.59441
290 3QDW NDG 0.001219 0.48171 5.59441
291 3QDT A2G GAL 0.01243 0.43859 5.59441
292 3QDW A2G 0.02391 0.4304 5.59441
293 3QDY A2G GAL 0.03512 0.41546 5.59441
294 1Y2W NAG 0.001727 0.46715 5.6338
295 4TMK T5A 0.003941 0.41428 5.6338
296 1BTN I3P 0.008634 0.47408 5.66038
297 3H86 AP5 0.0006693 0.40484 5.72917
298 1L3I SAH 0.001155 0.40268 5.72917
299 1YRX FMN 0.0095 0.40453 5.78512
300 1NF8 ISC 0.003996 0.42368 5.7971
301 1NF8 BOG 0.04125 0.40655 5.7971
302 1GJW GLC 0.003255 0.46085 5.80913
303 4COQ SAN 0.00774 0.43635 5.80913
304 1KYQ NAD 0.0009339 0.43073 5.80913
305 2BGM NAJ 0.0001849 0.4299 5.80913
306 4TSK NDP 0.0001984 0.42899 5.80913
307 1AUA BOG 0.01412 0.41399 5.80913
308 3LM9 ADP 0.00709 0.41358 5.80913
309 1K27 MTM 0.0001568 0.41254 5.80913
310 2HW1 ANP 0.002725 0.40666 5.80913
311 2HW1 FRU 0.03036 0.40345 5.80913
312 1Y7P RIP 0.006467 0.45305 5.8296
313 1F7K UMP 0.001314 0.40889 5.88235
314 1Y75 NAG 0.004445 0.43113 5.9322
315 3KO0 TFP 0.03126 0.40462 5.94059
316 4UXU MLK 0.02368 0.40636 5.9633
317 4AIG FLX 0.002207 0.439 5.97015
318 2WIC GNP 0.0002221 0.43406 5.99251
319 2XRH NIO 0.01189 0.43328 6
320 3F81 STT 0.001271 0.49789 6.01093
321 1Y13 BIO 0.003713 0.42958 6.07735
322 2GN2 C5P 0.004264 0.41038 6.14035
323 4N69 SER 0.00114 0.47566 6.22407
324 3EJ0 11X 0.001368 0.46199 6.22407
325 2DWU DGL 0.001024 0.45848 6.22407
326 4MOB ADP 0.000448 0.44928 6.22407
327 4JWX 1N4 0.002357 0.44847 6.22407
328 4QVH FLC 0.02956 0.44424 6.22407
329 1SSQ CYS 0.00006725 0.43326 6.22407
330 1T10 F6P 0.009482 0.42672 6.22407
331 3ZS7 ATP 0.0007085 0.42309 6.22407
332 1IZC PYR 0.001035 0.41753 6.22407
333 2JC9 ADN 0.01305 0.41551 6.22407
334 4NTX AMR 0.01994 0.40955 6.22407
335 1PFK ADP 0.005785 0.40913 6.22407
336 2GGH NLQ 0.0000997 0.40769 6.22407
337 4QDF 30Q 0.0007635 0.40665 6.22407
338 4QDC ASD 0.0007909 0.40618 6.22407
339 1ZJ6 G3D 0.01202 0.40427 6.41711
340 1ZS6 ADP 0.00342 0.43602 6.50888
341 2FWP ICR 0.00003581 0.42741 6.55738
342 2FWP CIT 0.00002144 0.4257 6.55738
343 2PFC PLM 0.01454 0.4009 6.55738
344 4B16 NAG 0.006338 0.46944 6.639
345 1FX8 BOG 0.0001142 0.46905 6.639
346 2J5S KTA 0.00009937 0.46611 6.639
347 2XDQ MGX 0.01067 0.44905 6.639
348 1T3D CYS 0.005739 0.44879 6.639
349 4OB6 S2T 0.0009837 0.43863 6.639
350 2BO4 FLC 0.02026 0.42187 6.639
351 1QW9 KHP 0.001176 0.40556 6.639
352 3B1F NAD 0.00234 0.40555 6.639
353 4P4T GDP 0.005287 0.40332 6.639
354 3GJB AKG 0.02045 0.40257 6.639
355 3BK2 U5P 0.01406 0.4015 6.639
356 2WCI GSH 0.02447 0.40778 6.66667
357 1JOT GAL A2G 0.002996 0.43347 6.76692
358 2A9D MTE 0.0393 0.4076 6.98925
359 1FWE HAE 0.0008229 0.46256 7
360 1QD0 RR6 0.003276 0.42718 7.03125
361 1RYD GLC 0.0004408 0.49514 7.05394
362 2R00 OEG 0.003698 0.45814 7.05394
363 2JFV FLC 0.00359 0.45213 7.05394
364 1QDS PGA 0.002917 0.43395 7.05394
365 4WVH ASP HIS ASP ALA HIS ALA 0.01074 0.41465 7.05394
366 2NLI LAC 0.0005441 0.41078 7.05394
367 2NLI FMN 0.0005441 0.41078 7.05394
368 1BGV GLU 0.02115 0.40934 7.05394
369 3QO8 SSA 0.007186 0.40551 7.05394
370 4A6D SAM 0.004726 0.40166 7.05394
371 2JBH 5GP 0.0122 0.41546 7.11111
372 4UBP HAE 0.0008946 0.42534 7.14286
373 3I6B KDO 0.00863 0.42349 7.22222
374 1UCN ADP 0.008094 0.40728 7.23684
375 1JGS SAL 0.01499 0.45735 7.24638
376 3NGU ADP 0.0001044 0.48168 7.28477
377 4LWM MHO 0.02006 0.44896 7.37327
378 2YIV YIV 0.0001014 0.54462 7.46888
379 2V5K OXM 0.0002859 0.47295 7.46888
380 1ZED PNP 0.002873 0.4635 7.46888
381 1Z6K OAA 0.0009189 0.45214 7.46888
382 1UOU CMU 0.001649 0.43452 7.46888
383 2YIV NBN 0.0148 0.42859 7.46888
384 2CE7 ADP 0.002876 0.425 7.46888
385 1RZM PEP 0.01319 0.41531 7.46888
386 4JNJ BTN 0.02488 0.42948 7.82609
387 1NVU GTP 0.00008709 0.4377 7.83133
388 1I2B UPG 0.001092 0.43649 7.88382
389 1I2B USQ 0.001092 0.43649 7.88382
390 1I2B NAD 0.001092 0.43649 7.88382
391 2Q09 DI6 0.004533 0.43076 7.88382
392 2NCD ADP 0.009437 0.42682 7.88382
393 3I51 45C 0.004632 0.42108 7.88382
394 4LIT AKG 0.02112 0.41074 7.88382
395 4AF5 CIT 0.001734 0.46706 7.89474
396 3LN9 FLC 0.02003 0.42928 7.91367
397 3I8T LBT 0.01215 0.41689 7.92683
398 2CJU PHX 0.03115 0.40064 8.26446
399 1JAC AMG 0.0008914 0.51638 8.27068
400 3I7S PYR 0.002905 0.47071 8.29876
401 4IVG ANP 0.00001321 0.45742 8.29876
402 2Q1A 2KT 0.0002022 0.44148 8.29876
403 3W54 RNB 0.002001 0.4312 8.29876
404 1Q3Q ANP 0.0001682 0.43111 8.29876
405 2CW6 3HG 0.02416 0.43017 8.29876
406 4ISS TAR 0.02773 0.40274 8.29876
407 2GJ3 FAD 0.0001658 0.41662 8.33333
408 2YY8 MTA 0.006203 0.42123 8.45771
409 2UZ2 BTN 0.007364 0.4051 8.46154
410 1S8F GDP 0.004872 0.41598 8.47458
411 3RF4 FUN 0.001192 0.46156 8.62069
412 2B7N NTM 0.01165 0.42262 8.71369
413 2Y7P SAL 0.00998 0.42069 8.7156
414 1WKL ATP 0.0003479 0.44633 8.75912
415 1WKL ADP 0.001638 0.42186 8.75912
416 4LBP 1WG 0.0003534 0.41192 9
417 1UGX GAL MGC 0.00004588 0.43804 9.02256
418 1QH9 LAC 0.002068 0.46345 9.05172
419 4O8A 2OP 0.004857 0.46714 9.12863
420 1GSA ADP 0.00003142 0.44437 9.12863
421 3RKR NAP 0.002304 0.43822 9.12863
422 2UYQ SAM 0.006777 0.43698 9.12863
423 1GSA GSH 0.00004607 0.43257 9.12863
424 3PNQ 2HA 0.01001 0.42949 9.12863
425 1WRA PC 0.02566 0.4168 9.12863
426 2WLT ASP 0.0004648 0.40842 9.12863
427 4LCQ URQ 0.0006995 0.40319 9.12863
428 1SS4 GSH 0.006356 0.48631 9.15033
429 4U9W COA 0.004684 0.4035 9.17874
430 3ZZS TRP 0.000009332 0.43505 9.23077
431 1F5F DHT 0.002794 0.41723 9.26829
432 1NXJ GLV 0.00004337 0.51735 9.28962
433 1NXJ TLA 0.0001038 0.47328 9.28962
434 1T0S BML 0.008618 0.4467 9.30233
435 1GRN AF3 0.0224 0.40636 9.42408
436 2WMO GTP 0.002262 0.42911 9.47368
437 4G1V FAD 0.000671 0.4336 9.54357
438 2J5V RGP 0.009829 0.42904 9.54357
439 2H6T IVA VAL VAL STA ALA STA 0.001994 0.42271 9.54357
440 1NYT NAP 0.001243 0.4048 9.54357
441 4JCA CIT 0.002433 0.49237 9.58084
442 3PNA CMP 0.002524 0.44168 9.74026
443 3KPE TM3 0.01243 0.42659 9.80392
444 3BY8 MLT 0.01046 0.43601 9.85915
445 4C6F DOR 0.009649 0.41227 9.95851
446 4C6F NCD 0.009649 0.41227 9.95851
447 1JH7 UVC 0.03529 0.40041 10.0529
448 1Q3P GLU ALA GLN THR ARG LEU 0.004628 0.43038 10.0917
449 3CF6 SP1 0.006751 0.40655 10.1796
450 2Z9V PXM 0.003284 0.44209 10.3734
451 1B63 ANP 0.001692 0.41031 10.3734
452 4G4S LDZ 0.004783 0.40851 10.3734
453 3O03 NAP 0.0009849 0.40843 10.3734
454 2BFR ADP 0.005076 0.40662 10.4167
455 3N7S 3N7 0.02657 0.40839 10.4348
456 2X2T GAL NGA 0.000676 0.51236 10.4575
457 1UFY MLI 0.01402 0.42411 10.6557
458 3GD8 BOG 0.0002026 0.52938 10.7623
459 3GD8 GOL 0.001436 0.406 10.7623
460 3VGL BGC 0.00005527 0.43566 10.7884
461 2RHQ GAX 0.0006079 0.42533 10.7884
462 4GO7 THR 0.01831 0.40061 10.7884
463 4B9E FAH 0.0001521 0.52589 11.2033
464 1YFZ IMP 0.003814 0.44483 11.2195
465 1G8S MET 0.0005019 0.49248 11.3043
466 2P8O BVA 0.005261 0.40697 11.3402
467 3RK0 AMP 0.001086 0.44659 11.3924
468 1TV5 ORO 0.0001571 0.46648 11.6183
469 2EB5 OXL 0.004617 0.44697 11.6183
470 1TV5 A26 0.000365 0.43282 11.6183
471 1TV5 N8E 0.001865 0.4198 11.6183
472 1FNZ A2G 0.0000326 0.46825 11.8143
473 4DN8 BMA 0.00003167 0.5491 12.1795
474 2C5S AMP 0.002151 0.44466 12.4481
475 1P72 THM 0.02093 0.40636 12.4481
476 4A8H PUW 0.0001089 0.42183 12.8631
477 4EXO PYR 0.02284 0.42508 13.0137
478 3A1I UNU 0.001668 0.44406 13.278
479 4Q3R XA2 0.0003475 0.42224 13.278
480 1E5F PLP 0.006375 0.40751 13.278
481 4Q3S X7A 0.001145 0.40128 13.278
482 3CH5 GDP 0.0001497 0.41003 13.4615
483 3TA2 AKG 0.00009164 0.40411 13.5593
484 1WDA BAG 0.005866 0.42595 13.6929
485 1M0S CIT 0.02408 0.40058 13.6986
486 1EYQ NAR 0.007272 0.42194 13.964
487 1ZFJ IMP 0.00007356 0.46499 14.1079
488 3SQG COM 0.01505 0.44868 14.1079
489 1JSH SIA GAL 0.001001 0.41801 14.1079
490 1ZGA HMK 0.00619 0.41597 14.1079
491 1ML4 PAL 0.001466 0.40734 14.1079
492 4CCN OGA 0.007978 0.43573 14.2857
493 1OGD RIP 0.000601 0.47471 14.5038
494 1HFA PIO 0.001449 0.52975 14.5228
495 2IMP NAI 0.0001926 0.44305 14.5228
496 1SC3 MLI 0.001294 0.48853 14.6067
497 5E65 5N6 GAL 0.008129 0.40165 15.0602
498 1QB7 ADE 0.005676 0.42189 15.2542
499 1NU4 MLA 0.00613 0.42513 15.4639
500 2FAV APR 0.005712 0.40758 15.5556
501 1HE1 AF3 0.02376 0.40508 15.5556
502 3E81 SLB 0.02177 0.41013 15.8537
503 2BES RES 0.004563 0.42759 16.2791
504 1V8K ANP 0.0001076 0.42031 16.5975
505 3PC3 P1T 0.002444 0.4083 16.5975
506 4PNO U5P 0.004412 0.41768 16.6667
507 1OFH ADP 0.001534 0.40351 16.6667
508 4RJK PYR 0.003535 0.46638 17.0124
509 4RJK TPP 0.0008997 0.40294 17.0124
510 2QS8 MET 0.00004212 0.44697 17.8423
511 3M31 FAD 0.0003515 0.42946 17.8423
512 1KYV RBF 0.006738 0.40295 18.8679
513 3MTW M3R 0.003549 0.41728 19.5021
514 4E13 NAD 0.002182 0.41 19.5021
515 3QV9 QV7 0.006854 0.43318 19.917
516 1Y1A GSH 0.00111 0.5231 21.8579
517 1KC7 PPR 0.001065 0.48458 21.9917
518 2FR6 CTN 0.0006303 0.43694 22.6027
519 2FR6 URI 0.001756 0.42076 22.6027
520 2FYU FDN 0.002711 0.41389 23.0769
521 1MQ0 BRD 0.004937 0.41575 24.2857
522 2RIF AMP 0.007413 0.41353 24.8227
523 2FEQ 34P 0.00584 0.40527 25
524 4F4S EFO 0.004853 0.43457 26.3158
525 1FQJ ALF 0.01227 0.42197 42.8571
526 3P3N AKG 0.0007944 0.48307 45
527 2J4K U5P 0.00000111 0.44416 46.4602
Pocket No.: 2; Query (leader) PDB : 2BNE; Ligand: U5P; 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: 2bne.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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