Receptor
PDB id Resolution Class Description Source Keywords
3NTA 2.01 Å EC: 1.8.1.14 STRUCTURE OF THE SHEWANELLA LOIHICA PV-4 NADH-DEPENDENT PERS REDUCTASE SHEWANELLA LOIHICA COA FAD PERSULFIDE REDUCTASE SULFUR METABOLISM OXIDOREDU
Ref.: CHARACTERIZATION OF AN NADH-DEPENDENT PERSULFIDE RE FROM SHEWANELLA LOIHICA PV-4: IMPLICATIONS FOR THE OF SULFUR RESPIRATION VIA FAD-DEPENDENT ENZYMES . BIOCHEMISTRY V. 50 194 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:575;
B:575;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
COA A:901;
B:901;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
FAD A:900;
B:900;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NTA 2.01 Å EC: 1.8.1.14 STRUCTURE OF THE SHEWANELLA LOIHICA PV-4 NADH-DEPENDENT PERS REDUCTASE SHEWANELLA LOIHICA COA FAD PERSULFIDE REDUCTASE SULFUR METABOLISM OXIDOREDU
Ref.: CHARACTERIZATION OF AN NADH-DEPENDENT PERSULFIDE RE FROM SHEWANELLA LOIHICA PV-4: IMPLICATIONS FOR THE OF SULFUR RESPIRATION VIA FAD-DEPENDENT ENZYMES . BIOCHEMISTRY V. 50 194 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3NTA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3NTA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3NTA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NTA; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3nta.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NTA; Ligand: FAD; Similar sites found: 405
This union binding pocket(no: 2) in the query (biounit: 3nta.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AYI HCI 0.00000007047 0.57483 1.21951
2 3AYI FAD 0.00000006483 0.57483 1.21951
3 2DKH FAD 0.00000002103 0.5494 1.21951
4 2DKH 3HB 0.0000001806 0.54129 1.21951
5 3UOY NAP 0.00001098 0.50679 1.2844
6 3CIF NAD 0.0002811 0.40272 1.39276
7 5WGR FAD 0.000001191 0.50073 1.39373
8 5MPT SAH 0.0114 0.41509 1.44928
9 5X62 SAH 0.02098 0.40566 1.47783
10 3V1Y NAD 0.0001979 0.40078 1.48368
11 1SC6 NAD 0.0004669 0.40439 1.48515
12 1J0X NAD 0.001396 0.41076 1.50602
13 5H81 NAP 0.007121 0.41521 1.54242
14 3AXB FAD 0.0000005982 0.52554 1.5625
15 3AXB PRO 0.000001128 0.49156 1.5625
16 2R4J FAD 0.000007698 0.49982 1.56794
17 2R4J 13P 0.000007698 0.49982 1.56794
18 4Z24 FAD 0.000001292 0.49006 1.56794
19 4R6W PC 0.003851 0.40218 1.56794
20 4AT0 FAD 0.00001024 0.49082 1.56863
21 3DMH SAM 0.005222 0.42426 1.5748
22 3DMH GMP 0.006647 0.40308 1.5748
23 1Q9I FAD 0.00000001341 0.48904 1.57618
24 1Q9I TEO 0.00000001341 0.48904 1.57618
25 1D1T NAD 0.002129 0.41763 1.60858
26 4D7E FAD 0.00003435 0.46704 1.6317
27 4XFR CIT 0.04143 0.40822 1.63934
28 2B4R NAD 0.000431 0.40324 1.73913
29 4U8P FDA 0.000004101 0.40621 1.75439
30 4U8P UDP 0.000004573 0.40063 1.75439
31 1CF2 NAP 0.0001312 0.40663 1.78042
32 4ZCC FAD 0.000000768 0.46393 1.78571
33 4ZCC NAI 0.000000768 0.46393 1.78571
34 2C7G FAD 0.0000003868 0.55041 1.97368
35 2C7G ODP 0.0000003588 0.55041 1.97368
36 4IV9 FAD 0.0000002116 0.52568 1.97487
37 1UWK NAD 0.001003 0.41782 1.97487
38 1UWK URO 0.001003 0.41782 1.97487
39 5HJM MTA 0.01303 0.40933 1.98864
40 3OND NAD 0.001448 0.41404 2.04918
41 3OND ADN 0.001448 0.41404 2.04918
42 1REO FAD 0.0000005133 0.52557 2.05761
43 1V8B NAD 0.0008585 0.40767 2.08768
44 3OJO NAD 0.00004094 0.4041 2.08817
45 5JJR SAH 0.005039 0.43163 2.09059
46 5THY SAH 0.005393 0.42363 2.09059
47 1T9D P22 0.03709 0.41392 2.09059
48 1RYI FAD 0.00000122 0.51556 2.09424
49 3NKS FAD 0.000001608 0.51051 2.09644
50 3FPZ AHZ 0.004107 0.4445 2.14724
51 1E1M FAD 0.00000003001 0.58828 2.17391
52 1E1M NAP 0.00000003001 0.58828 2.17391
53 1I8T FAD 0.000002466 0.50195 2.17984
54 3ABI NAD 0.001697 0.42147 2.19178
55 4RPL FAD 0.000002987 0.52515 2.25564
56 4RPL 3UC 0.000004223 0.52233 2.25564
57 1GV0 NAD 0.0003207 0.40309 2.25806
58 3HVJ 705 0.001339 0.4034 2.26244
59 1H5Q NAP 0.002924 0.41482 2.26415
60 3NJ4 NAD 0.008535 0.41709 2.26481
61 3NJ4 AFX 0.02159 0.4008 2.26481
62 5TS5 FAD 0.0000003372 0.5139 2.27273
63 2EV9 SKM 0.001063 0.42398 2.28137
64 4DMG SAM 0.002107 0.46632 2.29008
65 5M67 NAD 0.001896 0.41075 2.29645
66 5M67 ADE 0.002093 0.40921 2.29645
67 5M67 3D1 0.00215 0.40879 2.29645
68 2JJQ SAH 0.002379 0.4591 2.35294
69 1JQ3 AAT 0.001001 0.42236 2.36486
70 2Y5S 78H 0.03608 0.40357 2.38095
71 4FWE FAD 0.00000011 0.55521 2.38693
72 1KNR FAD 0.00000002701 0.57165 2.40741
73 1V6A TRE 0.003682 0.47154 2.40964
74 3IHG FAD 0.00000001088 0.53724 2.42991
75 1LDM NAD 0.0009338 0.43158 2.43161
76 3WE0 FAD 0.000001155 0.51927 2.43902
77 2IXB NAD 0.005025 0.40075 2.43902
78 2RGH FAD 0.00001301 0.47831 2.45184
79 2RGO FAD 0.000007432 0.48085 2.47117
80 2IVD FAD 0.0000002813 0.54116 2.51046
81 2I3G NAP 0.003784 0.40548 2.55682
82 3ZNN FAD 0.000002656 0.52096 2.59366
83 3ZNN 4WL 0.000002656 0.52096 2.59366
84 3WGT FAD 0.000002926 0.51024 2.59366
85 3WGT QSC 0.000003166 0.51024 2.59366
86 5G3U FDA 0.000001519 0.5077 2.60047
87 5G3U ITW 0.00001129 0.48568 2.60047
88 2GMH FAD 0.00000001919 0.55317 2.61324
89 5F8F SFG 0.005687 0.43642 2.65252
90 5TTJ FAD 0.0000008233 0.51138 2.65306
91 5BUK FAD 0.000000004444 0.60597 2.66667
92 1CER NAD 0.0004518 0.4534 2.71903
93 4D04 NAP 0.00003081 0.4866 2.76753
94 1NPD NAD 0.003159 0.42455 2.77778
95 1DJN ADP 0.00000001483 0.50594 2.78746
96 4YMH SAH 0.003254 0.43346 2.78746
97 1Z45 NAD 0.005654 0.40108 2.78746
98 2AQJ TRP 0.000001473 0.53141 2.7881
99 2AQJ FAD 0.000001575 0.53141 2.7881
100 1BW9 NAD 0.0002854 0.4766 2.80899
101 1BW9 PPY 0.02344 0.40973 2.80899
102 1C1X NAD 0.0002893 0.46132 2.8169
103 1C1X HFA 0.01315 0.42598 2.8169
104 5MZI FAD 0.00000001716 0.47974 2.81996
105 5MZI FYK 0.00000001854 0.47529 2.81996
106 2B9W FAD 0.000000596 0.54356 2.83019
107 3OA2 NAD 0.006831 0.4002 2.83019
108 1M2W NAD 0.003682 0.42472 2.83976
109 1Y8Q ATP 0.00008064 0.49204 2.89017
110 3TLJ SAH 0.01298 0.40104 2.94906
111 1PS9 FAD 0.000000003498 0.60437 2.96167
112 5MQ6 NDP 0.0006986 0.45586 2.96167
113 1PS9 NAP 0.00008775 0.40935 2.96167
114 4YNU LGC 0.000002136 0.51637 2.97723
115 4YNU FAD 0.000001716 0.51459 2.97723
116 5ULP KB1 0.002601 0.42813 2.98507
117 4OPC PGT 0.0000003229 0.58951 3.09051
118 4OPC FDA 0.0000002418 0.58951 3.09051
119 1GEG NAD 0.005083 0.40289 3.125
120 2ZXI FAD 0.000000004247 0.59115 3.13589
121 1NAA ABL 0.000001136 0.53104 3.13589
122 1NAA 6FA 0.0000006335 0.52845 3.13589
123 1VQW FAD 0.0000002424 0.51469 3.13589
124 2GV8 FAD 0.0000003575 0.51372 3.13589
125 2GVC FAD 0.0000002749 0.51307 3.13589
126 3QVP FAD 0.000001828 0.51225 3.13589
127 1N4W FAD 0.000001806 0.51243 3.1746
128 2E5V FAD 0.00000006653 0.5629 3.17797
129 2QA1 FAD 0.000000002588 0.61884 3.2
130 3QJ4 FAD 0.0000001588 0.54154 3.21637
131 4GUT FAD 0.0000001082 0.55994 3.22581
132 4GUS FAD 0.00000009404 0.55914 3.22581
133 4HSU FAD 0.0000002143 0.5465 3.22581
134 3SJU NDP 0.004275 0.40345 3.22581
135 3OFK SAH 0.002038 0.43911 3.24074
136 5FJN BE2 0.0000001733 0.55123 3.28947
137 5FJN FAD 0.0000001602 0.54793 3.28947
138 1D4D FAD 0.00000000345 0.60814 3.3101
139 1GTE FAD 0.00000003351 0.59413 3.3101
140 4MIG G3F 0.000001125 0.52634 3.3101
141 1RP0 AHZ 0.00000008161 0.52361 3.3101
142 1SAY PYR 0.0006809 0.40459 3.3241
143 2WET FAD 0.000002002 0.50804 3.32681
144 5KVS NAP 0.01008 0.40314 3.37662
145 4TM3 FAD 0.000001199 0.54375 3.386
146 5BVA FAD 0.000000008362 0.54649 3.42298
147 5EVY FAD 0.000008882 0.53758 3.42466
148 4CJX NAP 0.004181 0.41656 3.44828
149 4AP3 NAP 0.000007902 0.50661 3.46084
150 4AP3 FAD 0.000007902 0.40928 3.46084
151 4XZ3 ACP 0.03311 0.41665 3.47826
152 4XZ3 COA 0.01141 0.40346 3.47826
153 4UP3 FAD 0.00000004988 0.56238 3.50318
154 2YG3 FAD 0.000000373 0.53198 3.53201
155 4BJZ P3A 0.0000003327 0.56658 3.53774
156 5EZ7 FAD 0.000003397 0.49088 3.57143
157 3GF4 FAD 0.000003891 0.43328 3.58974
158 3GF4 UPG 0.000003481 0.42553 3.58974
159 4USQ FAD 0.000002171 0.48872 3.60111
160 1DSS NAD 0.0001213 0.40325 3.6036
161 3GMB FAD 0.00000002572 0.55154 3.61446
162 2X3N FAD 0.0000000605 0.55181 3.65854
163 4HA6 FAD 0.0000007942 0.52499 3.65854
164 3UCL NAP 0.000005665 0.51844 3.66492
165 3UCL CYH 0.000005169 0.51723 3.66492
166 3UCL FAD 0.000005169 0.51723 3.66492
167 3WV8 ATP 0.00001393 0.41016 3.66972
168 1RSG FAD 0.0000001292 0.5512 3.68217
169 1YY5 FAD 0.00000004376 0.57088 3.7037
170 2C04 GCP 0.02316 0.40361 3.7037
171 5MBX FAD 0.0000006592 0.5408 3.82294
172 5MBX SP5 0.0000006592 0.5408 3.82294
173 1ELI PYC 0.0000311 0.46245 3.85604
174 2Q0L FAD 0.00000002564 0.57415 3.85852
175 3T31 DCQ 0.00000001588 0.60231 3.89016
176 3T31 FAD 0.00000001344 0.60231 3.89016
177 5I39 FAD 0.0000006343 0.52078 3.92157
178 2F1K NAP 0.0003016 0.46058 3.94265
179 3K7M FAD 0.0000004004 0.46242 3.94432
180 2HJR APR 0.0002473 0.4753 3.96341
181 1JNR FAD 0.00000005322 0.5996 4
182 2Z3Y F2N 0.0000002656 0.54173 4.00697
183 3GDN HBX 0.000007049 0.50008 4.03071
184 3GDN FAD 0.000006663 0.49116 4.03071
185 3G5S FAD 0.00000004279 0.55683 4.06321
186 1MV8 NAD 0.000154 0.4019 4.12844
187 1MUU NAD 0.0001684 0.40089 4.12844
188 1KPG SAH 0.009557 0.40958 4.18118
189 4PLG NAI 0.00142 0.40278 4.19162
190 1EQ2 NAP 0.004347 0.40799 4.19355
191 1HDG NAD 0.001566 0.43433 4.21687
192 3OZ2 FAD 0.000000003295 0.60344 4.28212
193 3E1T FAD 0.000000002124 0.61555 4.29688
194 3LST SAH 0.03645 0.40334 4.31034
195 4MO2 FDA 0.000002267 0.50529 4.34783
196 4MO2 FAD 0.00000252 0.50011 4.34783
197 3JV7 NAD 0.0008547 0.43308 4.34783
198 5L3V GDP 0.01477 0.41974 4.34783
199 5O4J 9KH 0.0004904 0.41032 4.37956
200 5O4J SAH 0.0004904 0.41032 4.37956
201 1QO8 FAD 0.000000002975 0.60863 4.41696
202 4USR FAD 0.000001296 0.49133 4.43213
203 5LD5 NAD 0.001492 0.44165 4.46927
204 2VDV SAM 0.003019 0.45397 4.47154
205 4NTC FAD 0.000000002027 0.61265 4.47761
206 2RGJ FAD 0.00000001337 0.5565 4.47761
207 4YSX FAD 0.00000009968 0.53573 4.48718
208 1COY FAD 0.000003243 0.50073 4.53649
209 1COY AND 0.00002086 0.48821 4.53649
210 4X9M FAD 0.0000005797 0.51123 4.54545
211 5E8J SAH 0.003249 0.45239 4.54545
212 3LE7 ADE 0.04919 0.40915 4.5977
213 2G5C NAD 0.0004159 0.4026 4.62633
214 4J4H NAI 0.02501 0.407 4.6332
215 4J4H 1J1 0.01508 0.40202 4.6332
216 3NYC FAD 0.000001078 0.52949 4.70383
217 3NYC IAR 0.000001078 0.45868 4.70383
218 4DPL NAP 0.003544 0.409 4.73538
219 1LDN NAD 0.0005013 0.40065 4.74684
220 5UAO FAD 0.000004448 0.4916 4.80591
221 9LDB NAD 0.0003768 0.40555 4.81928
222 9LDT NAD 0.0003656 0.40402 4.81928
223 1H82 GZZ 0.0000006486 0.54773 4.87288
224 1H82 FAD 0.0000004581 0.45469 4.87288
225 3Q9T FAY 0.00004908 0.45562 4.87805
226 4MOP 2H5 0.0000006363 0.46125 4.89731
227 5FA5 MTA 0.004077 0.44344 4.90463
228 5J7X FAD 0.000009719 0.47989 4.91803
229 4NEC SAH 0.01886 0.41108 4.92424
230 4C3Y FAD 0.000001549 0.51193 5.09434
231 4C3Y ANB 0.000005816 0.49837 5.09434
232 4CNK FAD 0.00000001761 0.57449 5.11509
233 1UXG NAD 0.0006378 0.41718 5.17799
234 4J56 FAD 0.0000000007526 0.63321 5.26316
235 5EB4 FAD 0.000006215 0.48947 5.26316
236 1YJQ NAP 0.0005988 0.40302 5.28053
237 5BR7 FAD 0.000005333 0.4136 5.34351
238 5BR7 FLC 0.000007201 0.41114 5.34351
239 5L95 AMP 0.0005536 0.47197 5.37634
240 5TUF FAD 0.00000005251 0.58649 5.37897
241 5TUF TDC 0.0000006464 0.43959 5.37897
242 2XVE FAD 0.00001687 0.49447 5.38793
243 2XVF FAD 0.000003202 0.49308 5.38793
244 5TUK FAD 0.0000002313 0.58252 5.39216
245 4K5S PM0 0.00000007895 0.56766 5.41045
246 4K5S FAD 0.000000006962 0.56453 5.41045
247 5CAE COA 0.001461 0.43875 5.43131
248 5EOW FAD 0.000000008911 0.60469 5.4321
249 5EWK P34 0.01638 0.43541 5.5
250 1HKU NAD 0.0007674 0.43207 5.58659
251 4GR5 APC 0.02345 0.40972 5.61404
252 5JE8 NAD 0.0007234 0.4483 5.62914
253 2P4Q FLC 0.04847 0.41382 5.6338
254 3FPF MTA 0.001136 0.40967 5.7047
255 3FPF TNA 0.001136 0.40501 5.7047
256 4XDY NAI 0.003462 0.41719 5.91716
257 2VVM FAD 0.0000003931 0.53118 6.06061
258 2VVL FAD 0.0000005273 0.52828 6.06061
259 4TXI FAD 0.00000006294 0.58352 6.09756
260 3S5W FAD 0.00000009737 0.51757 6.09756
261 2DT5 NAD 0.0002053 0.4605 6.16114
262 2HMT NAI 0.00004038 0.4067 6.25
263 4REP FAD 0.000000233 0.53746 6.26263
264 4K28 NAD 0.0007698 0.44717 6.3197
265 5JWC FAD 0.00000000003984 0.68419 6.33397
266 5HSA FAS 0.000001792 0.49077 6.33484
267 4J36 1HR 0.0000001763 0.548 6.50602
268 4J36 FAD 0.00000002605 0.54698 6.50602
269 1LTH NAD 0.00007961 0.40524 6.89655
270 1XDS SAM 0.02296 0.41017 6.95187
271 4RSL FAD 0.00001198 0.48329 6.96629
272 3HDY FAD 0.000004137 0.51797 7.0529
273 3HDY GDU 0.000004676 0.51696 7.0529
274 3HDY FDA 0.000004403 0.51696 7.0529
275 1YKJ FAD 0.0000008066 0.54526 7.1066
276 1YKJ PHB 0.0000008066 0.42942 7.1066
277 1PN0 FAD 0.0000000203 0.58731 7.14286
278 1PN0 IPH 0.00000002233 0.58731 7.14286
279 3GFB NAD 0.007102 0.40192 7.14286
280 1O94 ADP 0.000000004134 0.52706 7.19697
281 1GPE FAD 0.00000124 0.47803 7.31707
282 5ODQ FAD 0.0000000517 0.53453 7.35786
283 2JB2 FAD 0.000002058 0.49796 7.36196
284 2JB2 PHE 0.000002271 0.49153 7.36196
285 3AB1 FAD 0.000000007731 0.59055 7.5
286 2BRY FAD 0.00000007898 0.53038 7.84708
287 3GGO ENO 0.0009809 0.41513 7.96178
288 3GGO NAI 0.0009809 0.41513 7.96178
289 1E6W NAD 0.004761 0.40399 8.07692
290 2I7C AAT 0.0004473 0.41159 8.12721
291 4EIP K2C 0.000000116 0.55887 8.19672
292 4EIP FAD 0.000000116 0.50201 8.19672
293 1DL5 SAH 0.007832 0.40264 8.20189
294 3EGV SAH 0.003939 0.44029 8.26772
295 2NXE SAM 0.005552 0.42967 8.26772
296 1DLJ NAI 0.001681 0.4135 8.70647
297 4DSG UDP 0.000003513 0.5196 8.8843
298 4DSG FAD 0.000003513 0.41967 8.8843
299 2FK8 SAM 0.007319 0.41768 8.88502
300 2GAG NAD 0.000000001672 0.60491 8.88889
301 2GAG FAD 0.000004827 0.5 8.88889
302 2GAG FOA 0.000004963 0.49957 8.88889
303 1YRO UDP 0.03951 0.41515 8.94309
304 3AD8 NAD 0.0000000008746 0.59878 9.09091
305 3AD8 FAD 0.00001339 0.5027 9.09091
306 1ZEM NAD 0.003233 0.41841 9.16031
307 4JNA FAD 0.000000008632 0.59241 9.41177
308 5GZ6 NDP 0.005569 0.423 9.5092
309 5GZ6 7C3 0.008879 0.40819 9.5092
310 1VDC FAD 0.0000002712 0.54712 9.90991
311 2CUL FAD 0.0000001669 0.52823 9.91379
312 4NTD FAD 0.00000001693 0.57508 10
313 1LSS NAD 0.00001132 0.41563 10
314 3QFA FAD 0.000000000347 0.6039 10.3448
315 5J60 FAD 0.000000008294 0.58949 10.625
316 3CTY FAD 0.00000000006699 0.67033 10.6583
317 1HYH NAD 0.0002176 0.4125 10.6796
318 4RDH AMP 0.0002618 0.50121 10.7639
319 1TDF FAD 0.00000006809 0.56709 11.7089
320 1TDF NAP 0.0000004409 0.56198 11.7089
321 2Y6Q I7T 0.000000429 0.53865 11.8467
322 2Y6Q FAD 0.00000005387 0.53274 11.8467
323 2IID FAD 0.000001032 0.44987 11.8474
324 2IID PHE 0.000001032 0.44987 11.8474
325 4G74 UQ5 0.0000000003958 0.64835 12.5498
326 4G74 FAD 0.00000000008048 0.64548 12.5498
327 2Q1S NAI 0.002801 0.40011 12.7321
328 3G2O SAM 0.004234 0.43515 13.0435
329 3GDH SAH 0.002582 0.42827 13.278
330 2VHW NAI 0.0002145 0.42753 15.1194
331 5KMS FAD 0.0000000001946 0.65342 16.2963
332 5KMS NAD 0.00000000379 0.50108 16.2963
333 3SQP FAD 0.00000001722 0.66578 16.318
334 2HQM FAD 0.0000000005057 0.63562 17.3278
335 3F8D FAD 0.0000002526 0.5711 17.6471
336 1MO9 KPC 0.00000001157 0.62975 18.3556
337 1MO9 FAD 0.00000001456 0.62496 18.3556
338 4YCA NDP 0.0006755 0.44625 19.0476
339 2V6O FAD 0.000000003111 0.45897 19.1638
340 4YRY FAD 0.000000002498 0.57546 20.7265
341 4YRY NAD 0.00000001673 0.49943 20.7265
342 5JCA FAD 0.000000004562 0.60212 20.9059
343 5JCA NDP 0.00000002398 0.6007 20.9059
344 5U8U FAD 0.0000000009331 0.65673 20.9979
345 3BAZ NAP 0.00458 0.41491 21.021
346 1E6E FAD 0.00000001435 0.56908 21.0938
347 1V59 FAD 0.0000000008152 0.63375 21.5481
348 1V59 NAD 0.00000007152 0.42574 21.5481
349 1FEC FAD 0.0000000003505 0.64851 21.6327
350 3GD4 NAD 0.0000000002448 0.68831 22.7006
351 3GD4 FAD 0.0000000001922 0.67392 22.7006
352 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.03374 0.41224 22.9508
353 2RAB NAD 0.0000000009458 0.65776 23.1102
354 2RAB FAD 0.0000000002614 0.64944 23.1102
355 4EMI NAD 0.000000000009566 0.72487 23.6585
356 4EMI FAD 0.000000000001875 0.71157 23.6585
357 4EMJ FAD 0.000000000004763 0.69995 23.6585
358 4BV6 FAD 0.00000000001268 0.68963 23.9351
359 2NVK FAD 0.000000001142 0.62136 24.1803
360 2YVF FAD 0.0000000001587 0.67988 24.7549
361 2YVF NAD 0.0000000001733 0.67988 24.7549
362 2YVJ FAD 0.00000000004141 0.65979 24.7549
363 2YVJ NAI 0.000001967 0.42255 24.7549
364 1FL2 FAD 0.00000009176 0.55148 24.8387
365 5JCM NAD 0.000000000313 0.67441 25.7206
366 5JCM FAD 0.0000000002884 0.67441 25.7206
367 5JCM ISD 0.000000000313 0.67441 25.7206
368 1Q1R FAD 0.00000000001695 0.68474 26.9142
369 2V3B FAD 0.0000000001296 0.64326 27.8646
370 2V3A FAD 0.0000000002286 0.63959 27.8646
371 3RNM FAD 0.0000000008964 0.62874 28.2828
372 1LVL NAD 0.0000001989 0.62192 28.6026
373 1LVL FAD 0.000000001407 0.57709 28.6026
374 1ZMD FAD 0.0000000005955 0.58828 29.1139
375 1ZMD NAI 0.000001113 0.56536 29.1139
376 4JDR FAD 0.000000001217 0.59254 29.7468
377 3ITJ FAD 0.00000009563 0.56468 29.8817
378 3FG2 FAD 0.00000000002765 0.64289 29.9505
379 3LAD FAD 0.000000001342 0.62076 30.042
380 4M52 FAD 0.0000000008441 0.62782 30.0429
381 2A8X FAD 0.000000001628 0.61962 30.1724
382 3LXD FAD 0.000000000003643 0.6834 30.3614
383 1BZL FAD 0.00000001196 0.63994 30.6584
384 3LZW NAP 0.00000006086 0.58218 30.7229
385 3LZW FAD 0.00000001326 0.57874 30.7229
386 1ZK7 FAD 0.0000000008117 0.57228 31.6916
387 2F5Z FAD 0.0000000006379 0.63394 32.8125
388 4D79 ATP 0.0002355 0.49351 33.6957
389 1GET FAD 0.0000000008533 0.65943 33.7778
390 1GET NAP 0.0000000009922 0.65943 33.7778
391 2WPF FAD 0.000000001665 0.67261 34.3434
392 2WPF WPF 0.000000002201 0.6705 34.3434
393 2Q7V FAD 0.000000001135 0.62144 34.4615
394 3KLJ FAD 0.0000000000222 0.64578 34.5455
395 5VN0 FAD 0.0000000000003634 0.73616 38.2239
396 5VN0 NAI 0.000000000009493 0.56312 38.2239
397 1XHC FAD 0.000000000001659 0.70173 41.1444
398 2CDU FAD 0.0000000000002014 0.7324 43.3628
399 2CDU ADP 0.000003345 0.41444 43.3628
400 3CGD NAD 0.00000000000004774 0.83342 46.25
401 3CGD FAD 0.00000000000004774 0.83342 46.25
402 3CGD COA 0.00000000000004774 0.83342 46.25
403 3CGB FAD 0.00000000000000111 0.81607 46.6667
404 2NPX FAD 0.0000000000004425 0.74016 46.7562
405 2NPX NAD 0.000000000005766 0.568 46.7562
Pocket No.: 3; Query (leader) PDB : 3NTA; Ligand: COA; Similar sites found: 17
This union binding pocket(no: 3) in the query (biounit: 3nta.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Y7E BMA BMA BMA 0.02492 0.40327 2.31214
2 5J32 IPM 0.03419 0.41339 2.48139
3 4UCC ZKW 0.0158 0.43101 2.57511
4 3TL1 JRO 0.04951 0.40213 3.14465
5 4JOB TLA 0.0275 0.40322 3.28283
6 3N9R TD3 0.02961 0.40652 3.58306
7 1J78 VDY 0.03258 0.40809 3.71179
8 5UGW GSH 0.002502 0.47882 4
9 3KV5 OGA 0.0402 0.40636 4.30328
10 3RV5 DXC 0.01261 0.45691 4.49438
11 4KJU 1RH 0.04106 0.40877 4.65116
12 4XCP PLM 0.04797 0.4002 4.70588
13 2VWA PTY 0.009801 0.44401 5.94059
14 5N1X 8HH 0.0001821 0.44877 16.1017
15 3CGD COA 0.00003974 0.50841 46.25
16 3CGD NAD 0.00003974 0.50841 46.25
17 3CGD FAD 0.00003974 0.50841 46.25
Pocket No.: 4; Query (leader) PDB : 3NTA; Ligand: COA; 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: 3nta.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback