Receptor
PDB id Resolution Class Description Source Keywords
1W6U 1.75 Å EC: 1.3.1.34 STRUCTURE OF HUMAN DECR TERNARY COMPLEX HOMO SAPIENS DIENOYL COA-REDUCTASE SHORT CHAIN DEHYDROGENASE BETA- OXIDATION NADP OXIDOREDUCTASE REDUCTASE
Ref.: STRUCTURE AND REACTIVITY OF HUMAN MITOCHONDRIAL 2,4-DIENOYL-COA REDUCTASE: ENZYME-LIGAND INTERACTIONS IN A DISTINCTIVE SHORT-CHAIN REDUCTASE ACTIVE SITE J.BIOL.CHEM. V. 280 3068 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HXC A:1330;
B:1331;
C:1330;
D:1329;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
865.677 C27 H46 N7 O17 P3 S CCCCC...
NAP A:1329;
B:1330;
C:1329;
D:1328;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W6U 1.75 Å EC: 1.3.1.34 STRUCTURE OF HUMAN DECR TERNARY COMPLEX HOMO SAPIENS DIENOYL COA-REDUCTASE SHORT CHAIN DEHYDROGENASE BETA- OXIDATION NADP OXIDOREDUCTASE REDUCTASE
Ref.: STRUCTURE AND REACTIVITY OF HUMAN MITOCHONDRIAL 2,4-DIENOYL-COA REDUCTASE: ENZYME-LIGAND INTERACTIONS IN A DISTINCTIVE SHORT-CHAIN REDUCTASE ACTIVE SITE J.BIOL.CHEM. V. 280 3068 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W6U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W6U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W6U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HXC; Similar ligands found: 135
No: Ligand ECFP6 Tc MDL keys Tc
1 HXC 1 1
2 CO8 0.953125 1
3 DCC 0.945736 1
4 MYA 0.945736 1
5 ST9 0.945736 1
6 5F9 0.945736 1
7 MFK 0.945736 1
8 UCC 0.945736 1
9 BCO 0.898438 0.977528
10 GRA 0.878788 0.955556
11 1HE 0.869231 0.956044
12 1VU 0.868217 0.988764
13 SCA 0.856061 0.955556
14 YNC 0.855072 0.945055
15 3HC 0.854962 0.966292
16 IVC 0.854962 0.966292
17 CS8 0.846715 0.988889
18 MLC 0.840909 0.955556
19 HDC 0.84058 1
20 ACO 0.837209 0.988764
21 HGG 0.835821 0.955556
22 CAA 0.834586 0.966292
23 3KK 0.824427 0.977528
24 COS 0.821705 0.934066
25 CAO 0.821705 0.923913
26 OXK 0.818182 0.955556
27 FAQ 0.816176 0.955556
28 0T1 0.8125 0.955056
29 CO6 0.81203 0.977528
30 2MC 0.80597 0.935484
31 TGC 0.804348 0.945055
32 MC4 0.801471 0.925532
33 FYN 0.796992 0.955056
34 DCA 0.796875 0.955056
35 MRR 0.795775 1
36 MRS 0.795775 1
37 MCA 0.794118 0.966667
38 COO 0.794118 0.955556
39 COK 0.791045 0.934066
40 SOP 0.791045 0.955556
41 UOQ 0.788732 0.977778
42 NHW 0.788732 0.977778
43 NHM 0.788732 0.977778
44 0ET 0.787234 0.977778
45 CMC 0.785185 0.934066
46 8Z2 0.784722 0.988889
47 COA 0.784615 0.955056
48 1GZ 0.782609 0.945055
49 COW 0.782609 0.945055
50 IRC 0.782609 0.966292
51 BYC 0.782609 0.955556
52 AMX 0.780303 0.94382
53 30N 0.780303 0.876289
54 CAJ 0.779412 0.955556
55 BCA 0.776978 0.945055
56 CMX 0.774436 0.933333
57 A1S 0.773723 0.955556
58 2NE 0.77305 0.934783
59 3CP 0.769784 0.934066
60 COF 0.769784 0.913979
61 ETB 0.769231 0.922222
62 HAX 0.762963 0.913043
63 2CP 0.76259 0.945055
64 SCO 0.761194 0.933333
65 1CZ 0.760563 0.945055
66 2KQ 0.757143 0.977778
67 FAM 0.755556 0.913043
68 FCX 0.755556 0.903226
69 SCD 0.753623 0.933333
70 CA6 0.751825 0.887755
71 MCD 0.751825 0.955556
72 4CA 0.751773 0.923913
73 NMX 0.746377 0.865979
74 WCA 0.744828 0.934783
75 4KX 0.739726 0.924731
76 CCQ 0.736111 0.935484
77 CIC 0.736111 0.934066
78 4CO 0.731034 0.923913
79 0FQ 0.731034 0.934066
80 DAK 0.72973 0.924731
81 COA MYR 0.726027 0.966667
82 PLM COA 0.726027 0.966667
83 COA PLM 0.726027 0.966667
84 01A 0.726027 0.894737
85 HFQ 0.722973 0.913979
86 1CV 0.721088 0.955556
87 CA8 0.72028 0.868687
88 YE1 0.71831 0.923077
89 1HA 0.717105 0.934783
90 NHQ 0.715232 0.944444
91 UCA 0.71519 0.977778
92 S0N 0.712329 0.913043
93 01K 0.701299 0.955556
94 CA3 0.687898 0.934066
95 COT 0.685897 0.934066
96 CA5 0.666667 0.894737
97 CO7 0.659864 0.955556
98 93P 0.652439 0.923913
99 93M 0.642857 0.923913
100 COD 0.637681 0.94382
101 HMG 0.612903 0.923077
102 5TW 0.606742 0.93617
103 4BN 0.606742 0.93617
104 OXT 0.60452 0.93617
105 JBT 0.598901 0.916667
106 BSJ 0.566667 0.904255
107 191 0.534591 0.887755
108 PAP 0.527559 0.775281
109 RFC 0.497076 0.956044
110 SFC 0.497076 0.956044
111 PPS 0.492424 0.721649
112 ACE SER ASP ALY THR NH2 COA 0.492228 0.913043
113 A3P 0.480315 0.764045
114 0WD 0.477124 0.755319
115 PTJ 0.4375 0.833333
116 1ZZ 0.4375 0.866667
117 OMR 0.431373 0.877778
118 PUA 0.425926 0.784946
119 3AM 0.421875 0.752809
120 PAJ 0.41958 0.844444
121 YLB 0.419355 0.888889
122 MDE 0.418848 0.978022
123 A22 0.415493 0.777778
124 S2N 0.412587 0.688889
125 A2D 0.409091 0.766667
126 YLP 0.409091 0.888889
127 3OD 0.408163 0.788889
128 AGS 0.405797 0.791209
129 SAP 0.405797 0.791209
130 ATR 0.405797 0.764045
131 NA7 0.40411 0.820225
132 LAQ 0.402597 0.806452
133 PSR 0.401515 0.674157
134 WAQ 0.401361 0.822222
135 ADP 0.4 0.786517
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W6U; Ligand: NAP; Similar sites found: 452
This union binding pocket(no: 1) in the query (biounit: 1w6u.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WMX NAD 0.0000000527 0.57964 1.3245
2 1I2B UPG 0.0009706 0.49215 1.3245
3 1I2B USQ 0.0009706 0.49215 1.3245
4 2UYQ SAM 0.001227 0.48245 1.3245
5 1I2B NAD 0.0000001714 0.42092 1.3245
6 5JAQ NAI 0.0001136 0.487 1.65563
7 1O6Z NAD 0.0005662 0.43738 1.65563
8 1CF2 NAP 0.004448 0.40459 1.65563
9 2G5C NAD 0.00168 0.40511 1.77936
10 4GK9 MAN BMA MAN MAN MAN 0.04954 0.40016 1.79211
11 3A27 SAM 0.007534 0.4073 1.83824
12 4PVD NDP 0.0000001279 0.58826 1.98676
13 2C29 NAP 0.0000001728 0.45558 1.98676
14 2C29 DQH 0.0000006407 0.44036 1.98676
15 3WLE NAD 0.001754 0.43309 1.98676
16 5UAO FAD 0.004554 0.41781 1.98676
17 4X9M FAD 0.008033 0.40933 1.98676
18 1NVT NAP 0.00219 0.41386 2.09059
19 1I9G SAM 0.006561 0.40348 2.14286
20 4J36 1HR 0.00167 0.44156 2.31788
21 4J36 FAD 0.001154 0.43698 2.31788
22 5MZI FYK 0.006625 0.42756 2.31788
23 5MZI FAD 0.006395 0.42756 2.31788
24 2BH9 NAP 0.006209 0.41819 2.31788
25 2HUI GLV 0.009371 0.41787 2.31788
26 1OC2 TDX 0.0000002555 0.41457 2.31788
27 1OC2 NAD 0.0000002555 0.41457 2.31788
28 5M67 ADE 0.01147 0.40964 2.31788
29 5M67 NAD 0.01152 0.40955 2.31788
30 5M67 3D1 0.01245 0.40807 2.31788
31 1FEC FAD 0.01442 0.40367 2.31788
32 1I9Z 2IP 0.0344 0.40291 2.31788
33 3MB5 SAM 0.001072 0.42968 2.35294
34 4GKV NAD 0.0001907 0.40972 2.38095
35 1WP4 NDP 0.00119 0.41051 2.42215
36 1H6C SIN 0.007368 0.40995 2.54042
37 1H6C NDP 0.007837 0.40677 2.54042
38 1TZD ADP 0.04213 0.40326 2.54545
39 5A89 ADP 0.01072 0.40397 2.5641
40 5A89 FMN 0.01184 0.40397 2.5641
41 1NYT NAP 0.001827 0.41253 2.58303
42 1ORR NAD 0.000000002259 0.6742 2.64901
43 1SB8 UD2 0.00000002044 0.66502 2.64901
44 1SB8 NAD 0.00000003119 0.65127 2.64901
45 2PZM NAD 0.0000005977 0.5899 2.64901
46 2PZM UDP 0.0000005977 0.5899 2.64901
47 1EQ2 NAP 0.0000003161 0.52417 2.64901
48 2X6T NAP 0.0000004557 0.51876 2.64901
49 3CMC NAD 0.008611 0.42566 2.64901
50 2WPF FAD 0.0173 0.42349 2.64901
51 1R37 NAD 0.002707 0.4228 2.64901
52 2WPF WPF 0.02292 0.41896 2.64901
53 3NTD FAD 0.007479 0.40866 2.64901
54 1J5P NAD 0.001405 0.40691 2.64901
55 1HYE NAP 0.004143 0.40571 2.64901
56 3NT6 FAD 0.01155 0.40063 2.64901
57 4E13 NAD 0.001082 0.43671 2.82686
58 5T9F TYR 0.001743 0.43437 2.95203
59 5T9F NAP 0.001937 0.43128 2.95203
60 5T9E NAP 0.0034 0.40931 2.95203
61 4GLL NAD 0.000000003156 0.66588 2.98013
62 5MSO NAP 0.000000008945 0.63499 2.98013
63 1GY8 NAD 0.00000004782 0.54704 2.98013
64 1H9A NAP 0.0003947 0.45771 2.98013
65 1WDK NAD 0.001034 0.43032 2.98013
66 4D3F NAP 0.0007493 0.42523 2.98013
67 3V1Y NAD 0.0009556 0.41845 2.98013
68 3LKZ SFG 0.004173 0.41517 2.98013
69 5MPT SAH 0.005719 0.4126 2.98013
70 4MDH NAD 0.001287 0.40748 2.98013
71 5MDH NAD 0.001363 0.40651 2.98013
72 1YKJ PHB 0.02122 0.40605 2.98013
73 1YKJ FAD 0.02122 0.40605 2.98013
74 4XB2 HSE 0.001119 0.43619 2.98507
75 4XB2 NDP 0.0005721 0.43361 2.98507
76 2PV7 NAD 0.002325 0.40043 3.02013
77 1PN0 IPH 0.008842 0.41459 3.15789
78 1PN0 FAD 0.008738 0.414 3.15789
79 4MIG G3F 0.01247 0.40804 3.24074
80 3LU1 NAD 0.000000003053 0.5937 3.2967
81 1KEW NAD 0.0000001173 0.63032 3.31126
82 1KEW TYD 0.0000001168 0.62906 3.31126
83 4PIV NDP 0.00000004354 0.61655 3.31126
84 3KO8 NAD 0.0000000002597 0.6087 3.31126
85 2Q1S NAI 0.0000005011 0.5932 3.31126
86 1I8T FAD 0.002906 0.42716 3.31126
87 4L8V NAP 0.001633 0.42665 3.31126
88 2EXX NAP 0.0001024 0.42257 3.31126
89 1V59 FAD 0.006537 0.41779 3.31126
90 3ICR FAD 0.004618 0.41649 3.31126
91 4N9Z V3L 0.01422 0.41384 3.31126
92 5G3U ITW 0.007823 0.41353 3.31126
93 3ICS ADP 0.01233 0.41173 3.31126
94 5G3U FDA 0.008225 0.40691 3.31126
95 1Y8Q ATP 0.003889 0.40387 3.31126
96 3T31 DCQ 0.02399 0.40046 3.31126
97 3T31 FAD 0.02269 0.4002 3.31126
98 2EV9 SKM 0.003661 0.41487 3.42205
99 2EV9 NAP 0.003661 0.41487 3.42205
100 1LTH NAD 0.00004686 0.48069 3.44828
101 5F5N NAD 0.00002438 0.49606 3.46021
102 4HXY NDP 0.0000000001422 0.63039 3.64238
103 1A5Z NAD 0.0005201 0.44626 3.64238
104 3CGD COA 0.005857 0.43914 3.64238
105 3CGD FAD 0.005857 0.43914 3.64238
106 1J0X NAD 0.003135 0.42977 3.64238
107 4MO2 FDA 0.002396 0.42854 3.64238
108 1EBF NAD 0.003968 0.40352 3.64238
109 4JLS 3ZE 0.03749 0.40003 3.64238
110 1P77 ATR 0.009462 0.43053 3.67647
111 1YY5 FAD 0.005464 0.42028 3.7037
112 2DC1 NAD 0.001543 0.4061 3.81356
113 2PWY SAH 0.002969 0.40545 3.87597
114 1BXK NAD 0.000000001317 0.61665 3.97351
115 4EUE NAI 0.000003607 0.48176 3.97351
116 1PL6 NAD 0.0007823 0.44268 3.97351
117 1LDN NAD 0.0009121 0.43848 3.97351
118 1RSG FAD 0.002933 0.43005 3.97351
119 3CTY FAD 0.005475 0.42024 3.97351
120 1DSS NAD 0.002148 0.40959 3.97351
121 1SOW NAD 0.0005647 0.40359 3.97351
122 3AB4 THR 0.02795 0.4018 3.97351
123 2F1K NAP 0.0004478 0.43227 4.30108
124 4R1S NAP 0.000000009011 0.60617 4.30464
125 4ZRN NAD 0.00000000119 0.57096 4.30464
126 2Q1W NAD 0.000000215 0.51894 4.30464
127 1UWK NAD 0.0002744 0.47747 4.30464
128 4ZRN UPG 0.000000004201 0.47183 4.30464
129 2CDU FAD 0.001572 0.43509 4.30464
130 2GVC FAD 0.004096 0.41408 4.30464
131 4K28 NAD 0.0007181 0.42778 4.46097
132 4RDH AMP 0.009944 0.40873 4.51389
133 3W9F I3P 0.01855 0.41156 4.61538
134 2C5A GDC 0.00000000837 0.45199 4.63576
135 2C5A NAD 0.00000000837 0.45199 4.63576
136 1X87 NAD 0.0006323 0.43903 4.63576
137 1UDB NAD 0.0000001882 0.43113 4.63576
138 1BZL FAD 0.018 0.4231 4.63576
139 5CDH TLA 0.02442 0.41753 4.63576
140 1BW9 NAD 0.003524 0.4117 4.63576
141 4C4A SAH 0.005381 0.41038 4.63576
142 5CAE COA 0.003725 0.40462 4.63576
143 1BXG NAD 0.00448 0.40446 4.63576
144 4N49 SAM 0.006413 0.40391 4.63576
145 5JCM ISD 0.02776 0.40192 4.63576
146 5JCM NAD 0.02776 0.40192 4.63576
147 5JCM FAD 0.02695 0.40192 4.63576
148 1C1X NAD 0.002375 0.40182 4.63576
149 1M2W NAD 0.00558 0.40042 4.63576
150 3GGO ENO 0.00116 0.44629 4.77707
151 1EZ4 NAD 0.0001322 0.46637 4.96689
152 4RPL 3UC 0.005572 0.43487 4.96689
153 4RPL FAD 0.007141 0.42808 4.96689
154 4TXI FAD 0.003097 0.41788 4.96689
155 2BRY FAD 0.00415 0.41384 4.96689
156 3H8V ATP 0.0005148 0.45881 5.13699
157 2V6G NAP 0.00000007065 0.60789 5.29801
158 1RPN NDP 0.0000002186 0.49429 5.29801
159 3ABI NAD 0.00002837 0.45709 5.29801
160 2VDV SAM 0.003209 0.43561 5.29801
161 1EK6 NAI 0.0000001051 0.43025 5.29801
162 1EK6 UPG 0.0000005082 0.40915 5.29801
163 5MW4 5JU 0.005839 0.40884 5.29801
164 3GFB NAD 0.001448 0.40657 5.29801
165 2JL1 NAP 0.0002443 0.4426 5.57491
166 5JY6 NAD 0.006796 0.42041 5.62914
167 4OPC FDA 0.02588 0.41602 5.62914
168 1G55 SAH 0.004895 0.41217 5.62914
169 2QRK AMP 0.007581 0.40841 5.62914
170 1GUZ NAD 0.0001212 0.47137 5.80645
171 2HJR APR 0.0000937 0.47284 5.96026
172 1LDM NAD 0.0002037 0.42786 5.96026
173 5E8J SAH 0.008692 0.41516 5.96026
174 5JJR SAH 0.007022 0.40866 5.96026
175 5ULP KB1 0.002043 0.41507 5.97015
176 1EJ0 SAM 0.008881 0.40413 6.11111
177 4J4H 1J1 0.008588 0.4135 6.17761
178 4J4H NAI 0.008588 0.4135 6.17761
179 4JK3 NAD 0.003471 0.40895 6.17761
180 1E7S NAP 0.00000002884 0.62611 6.29139
181 9LDT NAD 0.00009283 0.47938 6.29139
182 1GV0 NAD 0.00009692 0.47699 6.29139
183 1V6A TRE 0.004054 0.4506 6.29139
184 5UAV NDP 0.001311 0.43842 6.29139
185 5UAV TFB 0.001311 0.43842 6.29139
186 9LDB NAD 0.00008011 0.43653 6.29139
187 5H81 NAP 0.001077 0.43311 6.29139
188 5JCA FAD 0.005693 0.41766 6.29139
189 5JCA NDP 0.01137 0.41766 6.29139
190 1TDF NAP 0.02502 0.4068 6.29139
191 2GAG FOA 0.01435 0.40294 6.29139
192 2GAG FAD 0.01435 0.40294 6.29139
193 2GAG NAD 0.01085 0.40077 6.29139
194 3G2O SAM 0.003785 0.42053 6.35452
195 4YSX FAD 0.003077 0.42715 6.38298
196 2HK9 ATR 0.0006605 0.47865 6.62252
197 3UCL NAP 0.01652 0.41397 6.62252
198 3UCL FAD 0.01562 0.4133 6.62252
199 3UCL CYH 0.01562 0.4133 6.62252
200 2HK9 NAP 0.002035 0.41041 6.62252
201 1LVL NAD 0.006406 0.40393 6.62252
202 4REP FAD 0.01088 0.40272 6.62252
203 2P41 SAH 0.0045 0.41721 6.88525
204 1KYQ NAD 0.003721 0.42457 6.93431
205 3BAZ NAP 0.0003156 0.44138 6.95364
206 4RSL FAD 0.001839 0.43223 6.95364
207 5U5G NAP 0.0007633 0.43872 7.11864
208 4NEC SAH 0.01307 0.40324 7.19697
209 3B1F NAD 0.0006943 0.44105 7.24138
210 1Y1P NMN AMP PO4 0.0000007773 0.55769 7.28477
211 2QZZ NAP 0.003758 0.42027 7.28477
212 2QZZ EMF 0.003985 0.42027 7.28477
213 3C1O NAP 0.002384 0.41238 7.28477
214 2DFV NAD 0.00106 0.41189 7.28477
215 1SQF SAM 0.006408 0.41042 7.28477
216 5U8U FAD 0.02323 0.40545 7.28477
217 3A4T SFG 0.003389 0.41241 7.29927
218 3RJ5 NAD 0.00000002234 0.51079 7.48031
219 5L95 AMP 0.0006236 0.41881 7.5
220 3BP1 GUN 0.03868 0.4026 7.58621
221 3A4V PYR 0.000000003368 0.54669 7.61589
222 3A4V NAD 0.000000003368 0.54669 7.61589
223 4ZGS NAD 0.0003098 0.44786 7.61589
224 3NJ4 AFX 0.01744 0.43008 7.61589
225 3NJ4 NAD 0.01978 0.42743 7.61589
226 3CIF NAD 0.001458 0.42724 7.61589
227 3CIF G3H 0.008922 0.40224 7.61589
228 3EVG SAH 0.002385 0.4294 7.63636
229 5L4L NAP 0.0000004923 0.55985 7.94702
230 5L4L 7OX 0.000007759 0.53361 7.94702
231 2DKH FAD 0.001666 0.43034 7.94702
232 2DKH 3HB 0.002806 0.42781 7.94702
233 4EIP K2C 0.01056 0.40958 7.94702
234 4EIP FAD 0.01056 0.40958 7.94702
235 3MQ2 SAH 0.01238 0.40094 8.25688
236 1Z45 NAD 0.00000003584 0.55699 8.27815
237 2JHF NAD 0.0184 0.43307 8.27815
238 1DXY NAD 0.001764 0.42085 8.27815
239 2NAD NAD 0.004699 0.41394 8.27815
240 1CER NAD 0.001296 0.41355 8.27815
241 3QV1 NAD 0.002676 0.41198 8.27815
242 4YRY FAD 0.008199 0.41084 8.27815
243 1MV8 NAD 0.001668 0.40941 8.27815
244 4YRY NAD 0.01508 0.40741 8.27815
245 1MUU NAD 0.002906 0.40044 8.27815
246 3MJE NDP 0.00000000008498 0.72549 8.60927
247 3RFV NAI 0.0000001375 0.55513 8.60927
248 3RFV 15L 0.00001369 0.48764 8.60927
249 3UOY FAD 0.008757 0.42594 8.60927
250 3UOY NAP 0.008757 0.42594 8.60927
251 5DN9 NAD 0.002519 0.42287 8.60927
252 2YY7 NAD 0.000000007565 0.64787 8.9404
253 1B8U NAD 0.001747 0.42788 8.9404
254 1GAD NAD 0.00454 0.40422 8.9404
255 5KMS NAD 0.02372 0.40134 8.9404
256 4W6Z 8ID 0.007878 0.40561 9.27152
257 2IZ1 ATR 0.02332 0.40471 9.27152
258 1H2B NAJ 0.0003257 0.40432 9.27152
259 5KKA 6V0 0.000184 0.46864 9.60265
260 1KQR MNA 0.02745 0.40048 10.0559
261 4U7W NDP 0.00000000366 0.65336 10.2649
262 2Q46 NAP 0.0000001855 0.54192 10.2767
263 3AD8 NAD 0.007298 0.40479 10.3448
264 3AD8 PYC 0.02576 0.40398 10.3448
265 3AD8 FAD 0.02576 0.40398 10.3448
266 2PK3 A2R 0.0000005067 0.58454 10.596
267 1I0Z NAI 0.00009677 0.43746 10.596
268 3ZNN FAD 0.009804 0.41786 10.596
269 1E1M FAD 0.004646 0.43006 10.9272
270 1VL0 NAI 0.000000008652 0.63288 10.9589
271 5IN4 6CK 0.000006313 0.61045 11.2583
272 5IN4 NAP 0.000006439 0.61045 11.2583
273 5IN4 GDP 0.000006611 0.6086 11.2583
274 1R6D DAU 0.00000007084 0.64127 11.9205
275 1R6D NAD 0.00000007586 0.64127 11.9205
276 2VHW NAI 0.002542 0.42631 12.5828
277 1NVM NAD 0.003015 0.41962 12.5828
278 5GT9 NAP 0.00000000862 0.64554 12.9139
279 2V3A FAD 0.003658 0.42185 13.0208
280 5L4S NAP 0.00000001588 0.64708 13.5762
281 5L4S 6KX 0.00000001588 0.64708 13.5762
282 1JNR FAD 0.02219 0.4108 13.5762
283 2PXX SAH 0.005838 0.40885 13.9535
284 1E5Q NDP 0.00005847 0.45114 14.2384
285 2YRX AMP 0.02118 0.41358 14.2384
286 3OND ADN 0.009959 0.41151 14.2384
287 4K26 NDP 0.0000000005294 0.61211 14.4928
288 4K26 SFF 0.000000002576 0.52998 14.4928
289 1N5D NDP 0.000000005109 0.5792 14.5833
290 5J60 FAD 0.01269 0.40082 14.9007
291 2DBZ NAP 0.0008761 0.43628 14.9701
292 2FR1 NDP 0.0000000005197 0.6026 15.2318
293 1OAA OAA 0.000000006584 0.49802 15.2318
294 3O26 NDP 0.000000001441 0.67505 15.5629
295 5L53 NAP 0.00000001045 0.61089 15.5629
296 1RKX NAD 0.000000002146 0.59146 15.5629
297 1LSS NAD 0.0007202 0.44421 15.7143
298 1WVG APR 0.0000008163 0.54196 15.894
299 3ORF NAD 0.0000003782 0.53141 15.9363
300 4OHU NAD 0.0000002593 0.41856 16.609
301 4OHU 2TK 0.0000002593 0.41856 16.609
302 4J7U YTZ 0.00000005648 0.63241 16.6667
303 4J7U NAP 0.00000005648 0.63241 16.6667
304 2BKA NDP 0.000006517 0.48683 16.9421
305 2HMT NAI 0.0006261 0.44291 17.3611
306 1UXG FUM 0.04242 0.40106 17.5497
307 2BOS GLA GAL GLC 0.008358 0.43431 17.6471
308 2BOS GLA GAL 0.01088 0.41715 17.6471
309 1HDO NAP 0.000001091 0.48526 17.9612
310 1Z6Z NAP 0.00000006938 0.60603 18.0851
311 1FK8 NAD 0.000000006268 0.62454 18.2879
312 4IXW IXW 0.02614 0.40329 18.8976
313 3OJF IMJ 0.0000000813 0.62401 19.4553
314 3OJF NDP 0.00000009649 0.61033 19.4553
315 1WMA AB3 0.00000005523 0.4725 19.9275
316 1WMA NDP 0.00000005523 0.4725 19.9275
317 2DKN NAI 0.0000000001846 0.64768 20
318 2F5Z FAD 0.006356 0.41653 20.3125
319 1D7O NAD 0.00000004927 0.50564 22.5589
320 2CDC NAP 0.02696 0.4025 22.8477
321 3OIG NAD 0.00000007875 0.56471 22.9323
322 1GZ6 NAI 0.00000008624 0.53792 23.8411
323 3CH6 NAP 0.000000002891 0.7134 24.8252
324 3CH6 311 0.000000002891 0.43908 24.8252
325 4J1Q NDP 0.0000000008456 0.67922 25.1656
326 1XSE NDP 0.000000000156 0.55422 25.7627
327 1ZBQ NAD 0.00000002654 0.54663 26.1589
328 2AG5 NAD 0.0000000005231 0.69311 26.8293
329 2BD0 NAP 0.000000000009456 0.65654 27.0492
330 1A27 NAP 0.00000001765 0.5694 27.8146
331 3HB5 NAP 0.0000000003892 0.49847 27.8146
332 4ITU NAI 0.00000000005941 0.62077 27.881
333 4ITU 1HS 0.0000000001769 0.53734 27.881
334 2GDZ NAD 0.000000000008126 0.76731 28.1457
335 4O1M NAD 0.00000008061 0.54777 28.1457
336 1V35 NAI 0.0000002061 0.4716 28.1457
337 4TQG NDP 0.00000000008081 0.72357 30.1325
338 4YAG NAI 0.0000000006691 0.71507 30.4498
339 1JA9 NDP 0.0000000002462 0.71172 30.6569
340 1SNY NAP 0.00000004844 0.60532 31.7881
341 1XG5 NAP 0.0000000004042 0.61691 31.8996
342 4OSP NAP 0.0000000001531 0.64876 33.1126
343 4KWI NAP 0.000000000222 0.5457 34.4371
344 4KWI 1TJ 0.0000000002474 0.53782 34.4371
345 3TN7 NJP 0.0000000002573 0.70838 34.6304
346 4D42 W0I 0.00000005362 0.64387 34.7518
347 4D42 NAP 0.00000005362 0.64387 34.7518
348 1MXH DHF 0.000000004382 0.67264 35.4305
349 1MXH NAP 0.000000005957 0.667 35.4305
350 3A28 NAD 0.00000000005667 0.65393 35.7616
351 1PR9 NAP 0.0000000001254 0.72638 36.0927
352 3D3W NAP 0.0000000002724 0.71238 36.0927
353 3H4V DVP 0.000000003722 0.68309 36.0927
354 3H4V NAP 0.000000005428 0.67428 36.0927
355 3RKR NAP 0.000003777 0.58945 36.2595
356 3GEG NAD 0.0000000001405 0.71089 36.4238
357 3VZS NAP 0.000000000138 0.52841 36.4238
358 3VZS CAA 0.0000000005885 0.43737 36.4238
359 1BDB NAD 0.0000000007359 0.58934 36.4621
360 3ZV6 NAD 0.0000000004224 0.53763 37.0107
361 3ZV6 4HB 0.0000000004683 0.53034 37.0107
362 3WXB NDP 0.0000000007872 0.60542 37.0861
363 2PD4 DCN 0.0000006322 0.48775 37.0909
364 2PD4 NAD 0.0000007501 0.48583 37.0909
365 3ICC NAP 0.000000000134 0.61906 37.4172
366 4NBW NAD 0.00000000001799 0.74717 37.7483
367 1GEG NAD 0.0000000000173 0.67119 37.8906
368 3U4C NDP 0.0000000161 0.57831 38.0795
369 1E3W NAD 0.00000000002893 0.66245 38.6973
370 2WYV NAD 0.0000001194 0.542 38.7417
371 1E6W NAD 0.00000000001494 0.67189 38.8462
372 4CM9 NAP 0.00000000123 0.67788 39.0728
373 5JDI NAP 0.000000001279 0.67459 39.0728
374 2VZ0 NAP 0.00000004417 0.67406 39.0728
375 2VZ0 D64 0.00000004417 0.67406 39.0728
376 4CLR NAP 0.000000001364 0.67345 39.0728
377 4CLO NAP 0.000000001234 0.67255 39.0728
378 5JDC NAP 0.000000001481 0.67199 39.0728
379 5K6A NAP 0.000000001752 0.67157 39.0728
380 4CME NAP 0.000000002978 0.6596 39.0728
381 4CM4 NAP 0.000000001051 0.6204 39.0728
382 3BMO NAP 0.000000001084 0.61995 39.0728
383 3JQA NAP 0.000000002366 0.61803 39.0728
384 2WD7 NAP 0.000000001372 0.61657 39.0728
385 5JCJ NAP 0.000000001518 0.61509 39.0728
386 4CM8 NAP 0.000000001516 0.615 39.0728
387 3JQB NAP 0.000000002912 0.61483 39.0728
388 3JQG NAP 0.000000003141 0.61367 39.0728
389 4CMI NAP 0.000000001823 0.61241 39.0728
390 3BMQ NAP 0.000000001059 0.61005 39.0728
391 3JQ7 NAP 0.000000006253 0.60298 39.0728
392 3JQF NAP 0.000000001882 0.60201 39.0728
393 3JQ8 NAP 0.000000001856 0.60189 39.0728
394 3JQ9 NAP 0.000000002502 0.59817 39.0728
395 3BMN NAP 0.000000003162 0.59448 39.0728
396 2RH4 EMO 0.000000000008994 0.55034 39.0728
397 2CFC NAD 0.00000000001961 0.68035 39.2
398 2AE2 PTO 0.00000000002421 0.77269 39.2308
399 2AE2 NAP 0.00000000002421 0.77269 39.2308
400 1H5Q NAP 0.000000000002399 0.6865 39.2453
401 2JAH NDP 0.00000000002564 0.65346 39.2713
402 1EDO NAP 0.00000000002864 0.63992 39.3443
403 4NBT NAD 0.00000000001854 0.68189 39.404
404 2EWM NAD 0.00000000002125 0.65708 39.404
405 1G0N NDP 0.0000000002108 0.72844 39.576
406 1G0N PHH 0.0000000002954 0.72836 39.576
407 1UZN NAP 0.00000002257 0.54941 39.6761
408 4FN4 NAD 0.00000000001866 0.66982 39.7351
409 1U7T NAD 0.00000000005491 0.67653 39.8467
410 1U7T TDT 0.00000000009378 0.55018 39.8467
411 3SJ7 NDP 0.00000000001393 0.68515 40.0794
412 2BGM NAJ 0.00000000009734 0.71438 40.2878
413 5CG1 NAD BBN 0.0000003059 0.62264 40.7285
414 3QWI NAP 0.00000000009999 0.72792 40.7407
415 3QWI CUE 0.0000000003025 0.72792 40.7407
416 4Q9N NAI 0.00000002265 0.62825 40.9396
417 3V1U NAD 0.000000000009626 0.73225 41.0596
418 2DTX BMA 0.000000000004738 0.59869 41.2879
419 2WSB NAD 0.00000000001901 0.77717 41.3386
420 1QG6 TCL 0.0000001743 0.61294 41.3793
421 1QG6 NAD 0.0000001743 0.46228 41.3793
422 3AFN NAP 0.0000000002328 0.71521 41.4729
423 1ZEM NAD 0.00000000008773 0.68173 42.3664
424 2B4Q NAP 0.0000000002823 0.62934 42.3913
425 3OID NDP 0.00000000003154 0.63035 42.6357
426 3SJU NDP 0.000000000002806 0.68571 42.6523
427 1AE1 NAP 0.0000000001424 0.72408 42.8571
428 4O0L NDP 0.00000000008311 0.63866 42.9091
429 2JAP NDP 0.00000000001581 0.66021 42.915
430 4QED NAP 0.0000000000234 0.74846 43.1452
431 2Q2V NAD 0.0000000001903 0.71885 43.5294
432 1XHL NDP 0.0000000003066 0.70778 43.771
433 5ITV NAI 0.000000000002563 0.79087 43.9216
434 5T2U NAP 0.000000000002884 0.79446 43.9516
435 1X1T NAD 0.0000000002988 0.59887 44.2308
436 3AY6 NAI 0.00000000008527 0.57898 44.2379
437 3AY6 BGC 0.0000000003685 0.48875 44.2379
438 3O03 NAP 0.00000000005743 0.68962 44.6735
439 1O5I NAD 0.0000003492 0.59153 44.9799
440 5EPO NAP 0.00000004253 0.61475 45.0382
441 4CQM NAP 0.000000000005371 0.68781 45.082
442 5THQ NDP 0.00000000002973 0.7442 45.5882
443 1ZK4 NAP 0.0000000002439 0.57837 45.8167
444 1XKQ NDP 0.0000000002903 0.60351 46.0714
445 1NFQ NAI 0.00000000001478 0.76228 46.1538
446 2ZAT NAP 0.0000000001459 0.6418 46.1538
447 1UAY ADN 0.000001722 0.58975 46.281
448 4NBU NAI 0.000000000006658 0.67263 46.4
449 1YXM ADE 0.000000001836 0.8237 47.0199
450 1GEE NAD 0.000000000008424 0.6795 47.5096
451 1IY8 NAD 0.000000000004502 0.67868 47.5655
452 3NUG NAD 0.000000000004573 0.78051 48.583
Pocket No.: 2; Query (leader) PDB : 1W6U; Ligand: NAP; 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: 1w6u.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W6U; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1w6u.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W6U; Ligand: HXC; Similar sites found: 26
This union binding pocket(no: 4) in the query (biounit: 1w6u.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BRE C2E 0.032 0.40422 1.67598
2 5F7U GLC GLC 0.01384 0.42684 4.96689
3 3BPX SAL 0.01166 0.42948 5.40541
4 4XH0 ADP 0.01959 0.41124 6.29139
5 4XDY HIO 0.01283 0.42559 9.27152
6 5IN4 6CK 0.03271 0.43086 11.2583
7 5IN4 NAP 0.0331 0.43086 11.2583
8 5L4S NAP 0.006704 0.41532 13.5762
9 5L4S 6KX 0.006704 0.41532 13.5762
10 2FOI JPA 0.01606 0.40697 31.5985
11 1MXH DHF 0.007124 0.4152 35.4305
12 1MXH NAP 0.01088 0.40709 35.4305
13 3H4V DVP 0.007973 0.41693 36.0927
14 3H4V NAP 0.008969 0.41372 36.0927
15 3JQB DX6 0.006753 0.43496 39.0728
16 3JQ9 AX1 0.007902 0.42663 39.0728
17 2VZ0 D64 0.02136 0.41751 39.0728
18 2VZ0 NAP 0.02136 0.41751 39.0728
19 4CM4 4NR 0.02172 0.41172 39.0728
20 3JQ8 DX3 0.02414 0.4085 39.0728
21 2WD7 VGD 0.0201 0.40325 39.0728
22 1G0N NDP 0.01314 0.40347 39.576
23 1G0N PHH 0.01708 0.40125 39.576
24 2WSB NAD 0.008486 0.41384 41.3386
25 3OID TCL 0.02289 0.40746 42.6357
26 1NFQ NAI 0.004864 0.41565 46.1538
Pocket No.: 5; Query (leader) PDB : 1W6U; Ligand: HXC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1w6u.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1W6U; Ligand: HXC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1w6u.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1W6U; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1w6u.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1W6U; Ligand: HXC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1w6u.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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