Receptor
PDB id Resolution Class Description Source Keywords
3ULK 2.3 Å EC: 1.1.1.86 E. COLI KETOL-ACID REDUCTOISOMERASE IN COMPLEX WITH NADPH AN ESCHERICHIA COLI BRANCHED-CHAIN AMINO ACID BIOSYNTHESIS ROSSMANN FOLD REDUCTOISOMERASE ACETOLACTATE OXIDOREDUCTASE
Ref.: BACTERIAL AND PLANT KETOL-ACID REDUCTOISOMERASES HA DIFFERENT MECHANISMS OF INDUCED FIT DURING THE CATA CYCLE J.MOL.BIOL. V. 424 168 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:498;
A:499;
B:497;
B:498;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NDP A:492;
B:492;
Valid;
Valid;
none;
none;
Kd = 19.3 uM
745.421 C21 H30 N7 O17 P3 c1nc(...
SO4 A:493;
A:494;
A:495;
A:496;
A:497;
B:493;
B:494;
B:495;
B:496;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ULK 2.3 Å EC: 1.1.1.86 E. COLI KETOL-ACID REDUCTOISOMERASE IN COMPLEX WITH NADPH AN ESCHERICHIA COLI BRANCHED-CHAIN AMINO ACID BIOSYNTHESIS ROSSMANN FOLD REDUCTOISOMERASE ACETOLACTATE OXIDOREDUCTASE
Ref.: BACTERIAL AND PLANT KETOL-ACID REDUCTOISOMERASES HA DIFFERENT MECHANISMS OF INDUCED FIT DURING THE CATA CYCLE J.MOL.BIOL. V. 424 168 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3ULK Kd = 19.3 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3ULK Kd = 19.3 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ULK Kd = 19.3 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ULK; Ligand: NDP; Similar sites found: 312
This union binding pocket(no: 1) in the query (biounit: 3ulk.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.005606 0.41705 None
2 3MPI GRA 0.01854 0.40989 1.00756
3 4RJK PYR 0.008849 0.43178 1.222
4 3O2K DST 0.005541 0.41726 1.26582
5 3O2K QRP 0.005515 0.40765 1.26582
6 3OND NAD 0.0000001109 0.57398 1.43443
7 3OND ADN 0.0000001109 0.57398 1.43443
8 2Q8H TF4 0.00617 0.44698 1.4742
9 2YLD CMO 0.003019 0.44038 1.5748
10 2V6O FAD 0.00001075 0.52435 1.62933
11 4HA6 FAD 0.0002224 0.45193 1.62933
12 1O0S NAI 0.00002308 0.44688 1.62933
13 3DG6 MUC 0.003552 0.40622 1.63488
14 4M51 BEZ 0.005931 0.44026 1.63934
15 4PB2 5UD 0.0001843 0.4385 1.65094
16 3TA2 AKG 0.0009502 0.41248 1.69492
17 1O9U ADZ 0.01461 0.42792 1.71429
18 1KTC NGA 0.004734 0.42015 1.7284
19 3TKA CTN 0.000966 0.52052 1.72911
20 2XDQ MGX 0.001708 0.47528 1.73913
21 1KYQ NAD 0.00000006238 0.55742 1.82482
22 2ZO9 MLI 0.006883 0.40165 1.82482
23 2DKH FAD 0.00002417 0.47184 1.83299
24 2DKH 3HB 0.00006785 0.46514 1.83299
25 1H9A NAP 0.00004059 0.4658 1.85567
26 2Q09 DI6 0.002847 0.42407 1.92308
27 1Q0H FOM 0.0001888 0.45662 1.97044
28 1Q0H NDP 0.0002161 0.45662 1.97044
29 2C7G FAD 0.001666 0.43092 1.97368
30 2C7G ODP 0.002601 0.42307 1.97368
31 2Q1A 2KT 0.004561 0.43228 2.03666
32 1H9G COA MYR 0.001688 0.40123 2.05761
33 1RYD NDP 0.00000006532 0.56605 2.06718
34 2D2I NAP 0.000005833 0.45863 2.10526
35 2OFE NAG 0.008471 0.42011 2.11268
36 1B8U NAD 0.0007885 0.40176 2.12766
37 1B8U OAA 0.002837 0.40084 2.12766
38 2C5S AMP 0.001455 0.43596 2.17918
39 1XVV CCQ 0.0009207 0.42592 2.20588
40 1H2B NAJ 0.000092 0.45229 2.22841
41 3BRE C2E 0.001403 0.45539 2.23464
42 2GSD NAD 0.000001389 0.51715 2.24033
43 2AMV BIN 0.005654 0.40766 2.24033
44 1PL6 572 0.000001492 0.5126 2.24719
45 1PL6 NAD 0.0000004618 0.5074 2.24719
46 1S8F GDP 0.002919 0.4094 2.25989
47 1KOL NAD 0.0006561 0.42743 2.26131
48 2PP3 LGT 0.001725 0.41792 2.26131
49 2HGZ PBF 0.0004451 0.41661 2.28758
50 3ZF8 GDP 0.004017 0.4131 2.29508
51 1PEA ACM 0.001433 0.47029 2.33766
52 3B20 NAD 0.000007218 0.44907 2.35988
53 2QV7 ADP 0.0002636 0.44301 2.37389
54 1P72 ADP 0.002048 0.40426 2.39521
55 1LVL FAD 0.000417 0.44233 2.40175
56 1LVL NAD 0.0001269 0.42651 2.40175
57 1JQ5 NAD 0.01422 0.42411 2.43243
58 3CQ5 PMP 0.003577 0.42002 2.43902
59 3F3E LEU 0.001 0.42237 2.44399
60 2YVF NAD 0.001245 0.4394 2.45098
61 2YVF FAD 0.001188 0.4394 2.45098
62 2ZJF BSU 0.001935 0.42566 2.48619
63 1EYE PMM 0.001463 0.42537 2.5
64 4OYA 1VE 0.003318 0.44066 2.55319
65 1JA9 NDP 0.00001273 0.51829 2.55474
66 4B8V NDG NAG NAG NAG 0.0005398 0.41737 2.63158
67 3QV9 QV7 0.003385 0.43198 2.64766
68 2QA1 FAD 0.001787 0.41136 2.64766
69 4B9E FAH 0.004877 0.43737 2.65781
70 4PLG NAI 0.00002999 0.47466 2.69461
71 4PLG OXM 0.00002999 0.47466 2.69461
72 1V6A TRE 0.0003442 0.47524 2.71084
73 2BLE 5GP 0.001967 0.43058 2.7248
74 1CKM GTP 0.006993 0.40812 2.72727
75 1ECM TSA 0.002707 0.42496 2.75229
76 1H6C NDP 0.00000008994 0.56128 2.77136
77 1H6C SIN 0.0000001145 0.56115 2.77136
78 2QLX RM4 0.02577 0.40334 2.77778
79 2RCN GDP 0.001794 0.42696 2.7933
80 3A1I UNU 0.0002343 0.46191 2.85132
81 2ZWS PLM 0.0173 0.44 2.85132
82 3SIX GDP 0.004299 0.4074 2.85132
83 1C3V NDP 0.0001899 0.4387 2.85714
84 1HYE NAP 0.00003762 0.44103 2.8754
85 2IMP NAI 0.003124 0.43345 2.92276
86 3MAG 3MA 0.005262 0.45909 2.9316
87 2EB5 OXL 0.003543 0.43724 2.99625
88 3RO7 TDR 0.001132 0.40846 3.01887
89 1YHM AHD 0.002075 0.44125 3.03867
90 2QCX PF1 0.001792 0.44402 3.04183
91 1G8S MET 0.0004117 0.47941 3.04348
92 2BJK NAD 0.006742 0.40687 3.05499
93 4JK3 NAD 0.0008678 0.41378 3.0888
94 3P7I P7I 0.002591 0.43119 3.11526
95 1MXI SAH 0.0003764 0.42788 3.125
96 3DGB MUC 0.005966 0.40193 3.14136
97 2IZ1 ATR 0.003857 0.43557 3.16456
98 1IUP ALQ 0.001129 0.41147 3.19149
99 4COQ SAN 0.01874 0.40447 3.23887
100 1BDB NAD 0.01187 0.40796 3.2491
101 4KCT PYR 0.0007724 0.44719 3.25866
102 4KCT FDP 0.006586 0.40028 3.25866
103 1Y42 TYR 0.01092 0.40481 3.31633
104 3I51 45C 0.005461 0.4034 3.33333
105 3IOI 1GW 0.001248 0.4128 3.3557
106 2DTX BMA 0.0000269 0.47906 3.40909
107 1T26 NAI 0.0000367 0.51513 3.41615
108 1T26 GBD 0.0000367 0.51513 3.41615
109 2YBQ UP2 0.0003491 0.4368 3.42466
110 3UEC ALA ARG TPO LYS 0.006288 0.4322 3.42466
111 1XX4 BAM 0.01097 0.40715 3.44828
112 2NLI FMN 0.002453 0.42555 3.46232
113 2NLI LAC 0.002694 0.42555 3.46232
114 1Q3Q ANP 0.009128 0.40463 3.46232
115 2V5E SCR 0.01367 0.43704 3.5
116 2Q2V NAD 0.000007165 0.48963 3.52941
117 3ICC NAP 0.000006646 0.48902 3.52941
118 4HZD COA 0.002331 0.40743 3.5461
119 3SJ7 NDP 0.000003341 0.44083 3.57143
120 1DSS NAD 0.0000002095 0.52607 3.6036
121 4KOA NDP 0.00004807 0.46399 3.6036
122 3FS8 ACO 0.003708 0.4328 3.663
123 2B7N NTM 0.008987 0.41346 3.663
124 3ZPG 5GP 0.004909 0.45202 3.66492
125 1R27 MGD 0.001062 0.42029 3.66599
126 2YCD GTB 0.002354 0.41745 3.66599
127 1X54 4AD 0.0006896 0.4105 3.68664
128 1HDR NAD 0.004893 0.4091 3.68852
129 1XHL NDP 0.000004667 0.49416 3.7037
130 2XK9 XK9 0.0029 0.40301 3.72671
131 3C1O NAP 0.0006082 0.41225 3.73832
132 3R51 MMA 0.0006359 0.49703 3.75
133 2P1O IHP 0.001359 0.4088 3.75
134 2P1O NLA 0.001359 0.4088 3.75
135 1TB4 PEJ 0.0001703 0.43872 3.77358
136 3K37 BCZ 0.007289 0.41937 3.77834
137 4O1M NAD 0.000006327 0.48613 3.80952
138 2NCD ADP 0.01283 0.4067 3.80952
139 2Q37 3AL 0.001047 0.4542 3.8674
140 1F5F DHT 0.002188 0.40559 3.90244
141 1XIU REA 0.001363 0.41283 3.91304
142 1SS4 GSH 0.0003809 0.54367 3.92157
143 1SS4 CIT 0.02654 0.45416 3.92157
144 1RYI FAD 0.002666 0.41397 3.9267
145 1RYI GOA 0.002687 0.41386 3.9267
146 1P4C FMN 0.006069 0.41654 3.94737
147 1E5F PLP 0.001774 0.41302 3.9604
148 1GU3 BGC BGC BGC BGC BGC 0.005082 0.41885 4.02685
149 1RM4 NDP 0.000005111 0.52564 4.07332
150 1Y9Q MED 0.01304 0.41162 4.07332
151 2XVE FAD 0.009961 0.40595 4.09483
152 3RFV NAI 0.001008 0.41011 4.11985
153 1A27 EST 0.00368 0.40153 4.15225
154 1UOU CMU 0.004842 0.4012 4.21941
155 1Y75 NAG 0.004349 0.41655 4.23729
156 3O03 NAP 0.000007454 0.47795 4.27699
157 1ZJ6 G3D 0.002674 0.41532 4.27807
158 2NVK NAP 0.0002033 0.47776 4.30328
159 1F8F NAD 0.0007446 0.44283 4.31267
160 3F81 STT 0.0002568 0.51698 4.37158
161 4CS4 AXZ 0.001447 0.42332 4.37956
162 1C0I BE2 0.005211 0.40553 4.40771
163 1C0I FAD 0.005211 0.40553 4.40771
164 1BGQ RDC 0.0008616 0.41075 4.44444
165 1WVG APR 0.000006769 0.47722 4.45682
166 1I36 NAP 0.00002382 0.45314 4.54545
167 2PR5 FMN 0.001517 0.40712 4.54545
168 2R40 EPH 0.0006758 0.4196 4.56274
169 2QIA U20 0.006651 0.40708 4.58015
170 1U5R ATP 0.00321 0.40369 4.5977
171 3NOJ PYR 0.01024 0.40844 4.62185
172 2J7T 274 0.001083 0.4106 4.63576
173 3RK0 AMP 0.004726 0.40582 4.64135
174 4M5P MLA 0.002782 0.47377 4.6683
175 4M5P 23W 0.006207 0.43929 4.6683
176 2ZJ5 ADP 0.004727 0.42565 4.68432
177 4FR3 0V4 0.005397 0.42032 4.70085
178 4NTD FAD 0.00003937 0.47199 4.70588
179 4USQ FAD 0.0007445 0.42302 4.70914
180 3V1U NAD 0.00008384 0.44185 4.7619
181 4EXO PYR 0.002602 0.45769 4.79452
182 3B1F NAD 0.000002379 0.48484 4.82759
183 1GV0 NAD 0.00000003979 0.48679 4.83871
184 2VBQ BSJ 0.0004736 0.42967 4.84848
185 4DQ2 BTX 0.001617 0.40486 4.87805
186 1SQ5 ADP 0.0019 0.42102 4.88798
187 1ZK7 FAD 0.00001596 0.49464 4.92505
188 2IXB A2G 0.0000008614 0.52922 4.95496
189 2IXB NAD 0.0000004419 0.5265 4.95496
190 1Z41 FMN 0.000589 0.43036 5.02959
191 1Z44 NPO 0.04458 0.41685 5.02959
192 3KMT SAH 0.0009109 0.42826 5.04202
193 3TN7 NJP 0.00001451 0.47594 5.05837
194 1DLJ NAI 0.0000006343 0.54955 5.09165
195 1DLJ UGA 0.000001062 0.54151 5.09165
196 1DXY NAD 0.000001134 0.50459 5.1051
197 1SB8 NAD 0.006384 0.40412 5.11364
198 1SSQ CYS 0.005482 0.40519 5.24345
199 3T31 FAD 0.000003995 0.52537 5.26316
200 3T31 DCQ 0.000004571 0.52537 5.26316
201 3MD0 GDP 0.00118 0.43967 5.29532
202 2PT9 2MH 0.0007759 0.42241 5.29595
203 2Z9V PXM 0.007173 0.41252 5.35714
204 2BGM NAJ 0.000008921 0.51475 5.39568
205 1I0Z NAI 0.000000392 0.46135 5.40541
206 1VDC FAD 0.000357 0.44884 5.40541
207 1I0Z OXM 0.04049 0.4052 5.40541
208 1QF5 RPL 0.0005893 0.44108 5.56845
209 1QF5 GDP 0.0005893 0.44108 5.56845
210 4K30 NLG 0.003036 0.42829 5.625
211 1GJW GLC 0.00288 0.44809 5.70265
212 1GJW MAL 0.004287 0.41198 5.70265
213 1GEE NAD 0.00005925 0.40751 5.74713
214 1HKU NAD 0.0000001468 0.46626 5.86592
215 3IU9 T07 0.01042 0.40321 5.90278
216 2O66 FLC 0.002742 0.43597 5.92593
217 3S9K CIT 0.002207 0.49717 5.9322
218 1QDS PGA 0.004611 0.41073 5.9761
219 1ULE GLA GAL NAG 0.009985 0.42921 6
220 3LZW FAD 0.000007918 0.496 6.0241
221 3LZW NAP 0.00003085 0.496 6.0241
222 1R37 NAD 0.000003112 0.50356 6.05187
223 2F2U M77 0.007239 0.40296 6.21891
224 3TFC PEP 0.004192 0.42238 6.23377
225 1NYT NAP 0.00003026 0.43068 6.27306
226 3QDY A2G GAL 0.001257 0.47306 6.29371
227 3QDY CBS 0.004168 0.44057 6.29371
228 3QDT A2G GAL 0.01052 0.42812 6.29371
229 1YBH FAD 0.003716 0.40492 6.31365
230 1SOW NAD 0.000002701 0.50212 6.40244
231 2Y7P SAL 0.01333 0.40113 6.42202
232 3FPZ AHZ 0.01132 0.41204 6.44172
233 3SJU NDP 0.00002388 0.41083 6.45161
234 3PVT 3HC 0.0007399 0.42687 6.56371
235 2E1A MSE 0.005111 0.41369 6.66667
236 1LDM NAD 0.0000008325 0.55879 6.68693
237 2JFV FLC 0.00925 0.41839 6.87285
238 1T10 F6P 0.003828 0.42965 6.92464
239 1YB5 NAP 0.00001702 0.40631 7.12251
240 4KQL 1SG 0.0005704 0.45193 7.23684
241 1EDO NAP 0.01619 0.40172 7.37705
242 4LHM AZZ 0.003119 0.43353 7.5
243 1BTN I3P 0.0001557 0.55775 7.54717
244 2AE2 PTO 0.000007933 0.49883 7.69231
245 2AE2 NAP 0.000007933 0.49883 7.69231
246 1R6D NAD 0.0001281 0.46968 7.71513
247 1R6D DAU 0.0001293 0.46859 7.71513
248 9LDB NAD 0.00000006104 0.55516 8.13253
249 9LDT NAD 0.0000000689 0.55341 8.13253
250 1GSA ADP 0.001336 0.42839 8.22785
251 4F8L GAL 0.007819 0.45927 8.27586
252 4JCA CIT 0.001986 0.48153 8.38323
253 4K5S FAD 0.002898 0.40179 8.39552
254 3I0O ADP 0.007875 0.40151 8.55457
255 3LTW HLZ 0.002333 0.44542 8.57143
256 1NNS ASP 0.001278 0.43278 8.58896
257 2BKA NDP 0.00002988 0.41504 8.67769
258 2B4Q NAP 0.00001003 0.47949 8.69565
259 3W8S GSH 0.0104 0.41069 8.73786
260 2AG8 NAP 0.000001186 0.50053 8.74525
261 2WGC SIA GAL BGC 0.03775 0.42094 8.77193
262 1U7Z PMT 0.002646 0.40312 8.84956
263 1XE7 GUN 0.01545 0.42668 8.86699
264 1NU4 MLA 0.003378 0.47956 9.27835
265 1VL8 NAP 0.00000588 0.42075 9.3633
266 3DAG FEG 0.0003289 0.42264 9.49721
267 4W6Z 8ID 0.000000676 0.52952 9.51009
268 4JWX 1N4 0.004593 0.4207 9.5723
269 4N7C AEF 0.003264 0.44555 9.65909
270 3Q9T FAY 0.001578 0.41671 9.77597
271 2BH9 NAP 0.000002553 0.51592 9.81595
272 1X1T NAD 0.0002351 0.47224 10
273 2GJ3 FAD 0.0007537 0.4056 10
274 3SHR CMP 0.00327 0.41664 10.0334
275 3RF4 FUN 0.002216 0.43405 10.3448
276 1RZM E4P 0.004437 0.4393 10.355
277 1T0S BML 0.02443 0.41017 10.4651
278 1RP0 AHZ 0.008561 0.41216 10.5634
279 3PLN U5P 0.002771 0.42996 10.6132
280 2Y6P CTP 0.004874 0.40977 10.6838
281 4QED NAP 0.00000126 0.50937 10.8871
282 3Q3C NAD 0.00003789 0.48785 11.0368
283 5RHN 8BR 0.003732 0.40131 11.3043
284 4PTZ FMN 0.001427 0.41213 11.5183
285 1UXG NAD 0.00000006741 0.56737 11.6505
286 1UXG FUM 0.00000006741 0.56737 11.6505
287 3WBF NAP 0.00000002897 0.56136 11.8033
288 3WBF API 0.00000005323 0.56136 11.8033
289 1FIQ MTE 0.0009405 0.4141 11.8721
290 3EW2 BTN 0.004814 0.41475 12.5926
291 3BAZ NAP 0.0000003123 0.52045 12.9129
292 3U7Y FLC 0.04229 0.42272 13.1004
293 1LTH NAD 0.000001773 0.5359 13.1661
294 4E13 NAD 0.0000000228 0.55632 13.4276
295 3H86 AP5 0.003126 0.41898 14.5833
296 4NAT ADP 0.008998 0.41692 15
297 3DDC GNP 0.001162 0.40489 15.6627
298 1EXB NDP 0.003219 0.42939 16.2651
299 2FR6 CTN 0.001278 0.40968 16.4384
300 1TDF FAD 0.00002026 0.49215 17.0886
301 1TDF NAP 0.0000922 0.48756 17.0886
302 2HFK E4H 0.001614 0.43986 17.2414
303 1OAA OAA 0.005255 0.40359 17.7606
304 2BOI MFU 0.004246 0.42214 18.5841
305 1QO0 BMD 0.004833 0.43114 18.8776
306 1J5P NAD 0.0000006838 0.51396 18.9723
307 2AHR NAP 0.000003335 0.43591 21.2355
308 1Y2W NAG 0.00121 0.45829 23.2394
309 1YOA FMN 0.004054 0.47515 29.5597
310 1UO5 PIH 0.002295 0.48889 35.2941
311 1UO4 PIH 0.01132 0.4414 35.2941
312 1YRX FMN 0.003252 0.40765 38.0165
Pocket No.: 2; Query (leader) PDB : 3ULK; Ligand: NDP; 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: 3ulk.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ULK; Ligand: NDP; Similar sites found: 190
This union binding pocket(no: 3) in the query (biounit: 3ulk.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MJE NDP 0.007072 0.40614 1.222
2 2NAD NAD 0.0005077 0.46188 1.52672
3 1PJS NAD 0.0001945 0.4427 1.53173
4 1F06 NDP 0.00007124 0.42757 1.5625
5 2WSB NAD 0.009859 0.41095 1.5748
6 1Q11 TYE 0.007468 0.41179 1.6129
7 1YJQ NAP 0.00007342 0.4211 1.65016
8 2F5Z FAD 0.003002 0.43681 1.68776
9 1ZMD NAI 0.001491 0.40722 1.68776
10 3C7A NAD 0.008313 0.41686 1.73267
11 1ZH8 NAP 0.0005648 0.44984 1.76471
12 2CDU ADP 0.0002447 0.43487 1.76991
13 2CDU FAD 0.003631 0.42589 1.76991
14 4TM3 FAD 0.0129 0.42412 1.80587
15 1MO9 KPC 0.00177 0.47085 1.83299
16 1MO9 FAD 0.00283 0.46054 1.83299
17 4J1Q NDP 0.004982 0.40991 1.93966
18 3CIF NAD 0.0004006 0.45774 1.94986
19 3CIF G3H 0.008213 0.4093 1.94986
20 2GVC FAD 0.001329 0.44119 2.01342
21 2BRY FAD 0.009814 0.40369 2.03666
22 2V3A FAD 0.004645 0.42338 2.08333
23 2DBZ NAP 0.0004851 0.45421 2.09581
24 3CMC NAD 0.002946 0.45301 2.09581
25 2Q1S NAI 0.01614 0.40411 2.12202
26 3S5W FAD 0.006073 0.41025 2.15983
27 3S5W NAP 0.0006602 0.40946 2.15983
28 1P77 ATR 0.0001449 0.521 2.20588
29 1GET FAD 0.01036 0.42741 2.22222
30 1GET NAP 0.01099 0.42741 2.22222
31 3UOY NAP 0.002785 0.45481 2.24033
32 2YY7 NAD 0.007329 0.40675 2.24359
33 3LAD FAD 0.003116 0.43512 2.31092
34 4L8V NAP 0.0004364 0.45771 2.37389
35 4CNK FAD 0.00809 0.41277 2.55754
36 4CCO OGA 0.004124 0.42268 2.56959
37 1WPQ NAD 0.0008874 0.42717 2.5788
38 1PS9 FAD 0.002541 0.43806 2.64766
39 1PS9 NAP 0.002194 0.42345 2.64766
40 2RGO FAD 0.005883 0.41781 2.64766
41 4OB6 S2T 0.003567 0.40203 2.64766
42 1FEC FAD 0.0009076 0.46298 2.65306
43 3SQP FAD 0.01128 0.45527 2.71967
44 1MV8 NAD 0.00002337 0.46629 2.75229
45 1MUU NAD 0.00004788 0.46395 2.75229
46 2PK3 A2R 0.00398 0.41274 2.80374
47 3OA2 NAD 0.0007194 0.40676 2.83019
48 1WDK NAD 0.0001363 0.45997 2.85132
49 1LJ8 NAD 0.001542 0.42312 2.85132
50 1M2W NAD 0.001486 0.41772 2.85132
51 1X87 NAD 0.002014 0.41296 2.85132
52 1I9G SAM 0.004775 0.40688 2.85714
53 1ORR NAD 0.004392 0.41879 2.88184
54 4J36 1HR 0.004018 0.43116 2.89157
55 4J36 FAD 0.002331 0.43067 2.89157
56 2VDJ HSE 0.002352 0.45982 2.99003
57 3H8V ATP 0.001023 0.44205 3.08219
58 1WP4 NDP 0.00007589 0.44655 3.11419
59 2CVZ NDP 0.0001889 0.4363 3.11419
60 2DFV NAD 0.0005662 0.415 3.17003
61 2B4R NAD 0.0005893 0.40019 3.18841
62 3WO0 ADP 0.002669 0.4066 3.19149
63 3WO0 ALA 0.002669 0.4066 3.19149
64 1LLU NAD 0.0001378 0.40831 3.21637
65 1QO8 FAD 0.009303 0.41394 3.25866
66 1Z82 NDP 0.00008025 0.44222 3.28358
67 1GAD NAD 0.003662 0.4141 3.33333
68 1V59 FAD 0.002049 0.44613 3.34728
69 4E28 9MZ 0.0189 0.4043 3.38462
70 1YS4 NAP 0.004764 0.40296 3.38983
71 1C3M MAN MAN 0.0215 0.402 3.40136
72 3F8D FAD 0.01248 0.42596 3.40557
73 1A5Z NAD 0.001339 0.42565 3.44828
74 1BZL FAD 0.002962 0.46635 3.46232
75 2VYN NAD 0.000246 0.42043 3.46232
76 2HMT NAI 0.002847 0.41217 3.47222
77 3E6J DR2 0.01483 0.43127 3.49345
78 1ZZ7 S0H 0.01343 0.401 3.53535
79 1YKJ FAD 0.005411 0.43869 3.5533
80 1E7S NAP 0.005586 0.41306 3.73832
81 4KCF AKM 0.005033 0.40948 3.74449
82 2QZZ NAP 0.0006046 0.46109 3.77358
83 2QZZ EMF 0.0006516 0.46086 3.77358
84 2DT5 NAD 0.00001551 0.46132 3.79147
85 2WPF FAD 0.002025 0.4739 3.86965
86 2WPF WPF 0.003445 0.46411 3.86965
87 3V1Y NAD 0.0003883 0.42368 3.86965
88 1DJN ADP 0.002903 0.40623 3.86965
89 3HY3 10F 0.0009055 0.40492 3.94089
90 3ICT ADP 0.0006313 0.47041 4.07332
91 3ICS ADP 0.0009738 0.46142 4.07332
92 3ICR FAD 0.007115 0.41419 4.07332
93 3GGO NAI 0.00001374 0.41205 4.14013
94 2Q0L NAP 0.006042 0.4155 4.18006
95 1M5B BN1 0.00788 0.40698 4.18251
96 1LC3 NAD 0.0003107 0.42839 4.27699
97 1C1L GAL BGC 0.007028 0.42993 4.37956
98 1EZ4 NAD 0.0002522 0.43178 4.40252
99 1LDN NAD 0.0006516 0.45175 4.43038
100 3QWI CUE 0.01795 0.40028 4.44444
101 3QWI NAP 0.0111 0.40021 4.44444
102 1FWV SGA MAG FUC 0.01316 0.42615 4.47761
103 1J49 NAD 0.0006027 0.40687 4.5045
104 4EIP FAD 0.003795 0.4332 4.55373
105 4EIP K2C 0.00535 0.42829 4.55373
106 3LXD FAD 0.004358 0.42129 4.57831
107 1EP2 ORO 0.00118 0.41624 4.5977
108 2G5C NAD 0.000004633 0.4782 4.62633
109 1JNR FAD 0.01101 0.43021 4.66667
110 2O4C NAD 0.0005177 0.45602 4.73684
111 1HDG NAD 0.002188 0.40222 4.81928
112 1RSG FAD 0.002208 0.44178 4.88798
113 4MIG G3F 0.007182 0.42418 4.88798
114 1SQ5 PAU 0.009718 0.40695 4.88798
115 3FWN ATR 0.002734 0.42891 5
116 1Z44 FMN 0.000699 0.43254 5.02959
117 4AT0 FAD 0.008111 0.40039 5.09165
118 2F59 INI 0.0021 0.40228 5.09554
119 1SB8 UD2 0.01757 0.40876 5.11364
120 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006581 0.40488 5.12821
121 4AF0 IMP 0.007908 0.40079 5.29532
122 1NVT NAP 0.0003868 0.45161 5.57491
123 2G86 UMP 0.004629 0.40996 5.6962
124 2VOH CIT 0.01391 0.42611 5.73248
125 2HJR APR 0.0004509 0.43883 5.79268
126 1EBF NAD 0.000105 0.47514 5.86592
127 4WVH ASP HIS ASP ALA HIS ALA 0.002224 0.42845 6.00375
128 2GAG FOA 0.002443 0.4427 6.06061
129 2GAG FAD 0.002443 0.4427 6.06061
130 2GAG NAD 0.003687 0.42671 6.06061
131 3KB6 NAD 0.0007472 0.40777 6.28743
132 2PZM NAD 0.01292 0.40845 6.36364
133 4Q9N NAI 0.007286 0.40686 6.37584
134 2NU8 COA 0.00003324 0.46233 6.59722
135 1CER NAD 0.0002856 0.42895 6.64653
136 3MB5 SAM 0.008999 0.40039 6.66667
137 2EV9 NAP 0.0007605 0.45029 6.84411
138 3OJF IMJ 0.01435 0.40462 7.00389
139 1BXG NAD 0.0007457 0.44314 7.02247
140 1BW9 NAD 0.0009269 0.43222 7.02247
141 1C1X NAD 0.001343 0.40463 7.04225
142 2YVJ NAI 0.003684 0.41771 7.33945
143 1G0N PHH 0.005764 0.42226 7.42049
144 1G0N NDP 0.0052 0.42122 7.42049
145 3VYW SAM 0.004834 0.40584 7.46753
146 2GLX NDP 0.002363 0.40493 7.53012
147 1CF2 NAP 0.000005835 0.5316 7.71513
148 3CTY FAD 0.001708 0.44873 7.83699
149 2HK9 ATR 0.00002765 0.54242 8.36364
150 2HK9 NAP 0.0004603 0.42026 8.36364
151 2VT3 ATP 0.0003934 0.4148 8.37209
152 2YYY NAP 0.000415 0.45709 8.45481
153 4E5N NAD 0.0001186 0.42044 8.78788
154 3OJO NAD 0.0001403 0.4593 8.81671
155 1WGC SIA GAL BGC 0.01055 0.44305 9.35672
156 3GFB NAD 0.0003465 0.42171 9.42857
157 2WMO GTP 0.00401 0.40425 9.47368
158 1GUZ NAD 0.0003944 0.45803 9.67742
159 3SJ0 DXC 0.02384 0.40495 9.85915
160 3ABI NAD 0.0001424 0.42432 9.86301
161 1X7D NAD 0.0007436 0.40451 10
162 1LUA NAP 0.0005199 0.44648 10.5906
163 4BVA NDP 0.001367 0.43799 10.7463
164 4BVA T3 0.006519 0.4169 10.7463
165 1QD0 RR6 0.005095 0.40456 10.9375
166 2XG5 EC5 0.01532 0.42125 10.9827
167 1V8B NAD 0.00005598 0.41121 11.4823
168 2ZYF AKG 0.008194 0.4053 11.5183
169 4DN8 BMA 0.01387 0.41041 11.5385
170 1O6Z NAD 0.000541 0.42983 11.5512
171 3O26 NDP 0.002863 0.4229 11.5756
172 3UCL NAP 0.001955 0.46268 11.609
173 3UCL CYH 0.002892 0.45272 11.609
174 1FIQ SAL 0.00118 0.41362 11.8721
175 2PV7 NAD 0.000003208 0.49141 12.0805
176 1VI2 NAD 0.0003698 0.44862 12.3333
177 1OMO NAD 0.00008123 0.46197 12.4224
178 1E5Q NDP 0.00008098 0.43895 12.6667
179 1NPD NAD 0.0008904 0.42186 12.8472
180 2F1K NAP 0.000002436 0.50374 13.2616
181 2VHW NAI 0.00122 0.44656 14.0584
182 4II2 ATP 0.003987 0.40935 14.4578
183 1TUV VK3 0.03877 0.40617 14.9123
184 3AD8 FAD 0.006888 0.43573 15.1515
185 3AD8 NAD 0.004729 0.41859 15.1515
186 3B1J NAD 0.0007149 0.40097 16
187 1YKF NAP 0.0004528 0.40749 16.7614
188 1LSS NAD 0.001676 0.42515 20
189 1JAY NAP 0.00001607 0.5046 20.7547
190 4K28 NAD 0.00005299 0.46132 23.0483
Pocket No.: 4; Query (leader) PDB : 3ULK; Ligand: NDP; 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: 3ulk.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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