Receptor
PDB id Resolution Class Description Source Keywords
1Q1R 1.91 Å EC: 1.18.1.- CRYSTAL STRUCTURE OF PUTIDAREDOXIN REDUCTASE FROM PSEUDOMONAS PUTIDA PSEUDOMONAS PUTIDA GLUTATHIONE REDUCTASE FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF PUTIDAREDOXIN REDUCTASE FROM PSEUDOMONAS PUTIDA, THE FINAL STRUCTURAL COMPONENT OF THE CYTOCHROME P450CAM MONOOXYGENASE. J.MOL.BIOL. V. 336 889 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:749;
B:750;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q1R 1.91 Å EC: 1.18.1.- CRYSTAL STRUCTURE OF PUTIDAREDOXIN REDUCTASE FROM PSEUDOMONAS PUTIDA PSEUDOMONAS PUTIDA GLUTATHIONE REDUCTASE FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF PUTIDAREDOXIN REDUCTASE FROM PSEUDOMONAS PUTIDA, THE FINAL STRUCTURAL COMPONENT OF THE CYTOCHROME P450CAM MONOOXYGENASE. J.MOL.BIOL. V. 336 889 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Q1R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 1Q1R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1Q1R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3FG2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3EF6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4EMI Kd = 41 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 3LXD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1F3P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1D7Y - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 2GQW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2YVF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2GR0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 2YVG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 1Q1R; Ligand: FAD; Similar sites found: 399
This union binding pocket(no: 1) in the query (biounit: 1q1r.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YG3 FAD 0.0000001702 0.54799 1.54525
2 1X7D NAD 0.0003724 0.40314 1.71429
3 3OZ2 FAD 0.00000001495 0.58527 1.76322
4 1DSS NAD 0.0001199 0.40964 1.8018
5 4B63 FAD 0.01348 0.44163 1.85615
6 4B63 NAP 0.01393 0.44163 1.85615
7 4B63 ORN 0.01348 0.44163 1.85615
8 1MUU NAD 0.0001989 0.40306 1.85615
9 1MV8 NAD 0.0002588 0.40018 1.85615
10 1UXG NAD 0.0005648 0.42139 1.94175
11 1HYH NAD 0.0004583 0.40595 1.94175
12 2I3G NAP 0.002822 0.40927 1.98864
13 4DMG SAM 0.009701 0.43169 2.03562
14 1H82 GZZ 0.0000008738 0.54674 2.08817
15 1H82 FAD 0.0000006226 0.54674 2.08817
16 4IV9 FAD 0.000001209 0.49738 2.08817
17 1N4W FAD 0.000009012 0.49115 2.08817
18 3Q9T FAY 0.0001368 0.44295 2.08817
19 3NJ4 NAD 0.004507 0.43019 2.08817
20 3NJ4 AFX 0.009187 0.41758 2.08817
21 1V8B NAD 0.000667 0.41609 2.08817
22 2F1K NAP 0.000101 0.4787 2.15054
23 1GPE FAD 0.000003194 0.50987 2.32019
24 5J7X FAD 0.00000791 0.48629 2.32019
25 2YPI PGA 0.04174 0.40274 2.42915
26 5EOW FAD 0.0000000298 0.55593 2.46914
27 3CIF NAD 0.0002055 0.41303 2.50696
28 3CIF G3H 0.0005046 0.41171 2.50696
29 3OA2 NAD 0.002414 0.417 2.51572
30 1E1M NAP 0.0000001217 0.57046 2.5522
31 1E1M FAD 0.0000001217 0.57046 2.5522
32 1PN0 FAD 0.0000001845 0.55723 2.5522
33 1PN0 IPH 0.0000002109 0.55649 2.5522
34 5WGR FAD 0.0000001164 0.55381 2.5522
35 1COY AND 0.00002264 0.49 2.5522
36 1COY FAD 0.000008811 0.48886 2.5522
37 4D7E FAD 0.00001456 0.47257 2.5641
38 1HDG NAD 0.0002458 0.46655 2.71084
39 2NXE SAM 0.005408 0.42914 2.75591
40 4EIP K2C 0.0000002838 0.54908 2.78422
41 4EIP FAD 0.0000002838 0.54908 2.78422
42 4YNU LGC 0.000001497 0.52558 2.78422
43 4YNU FAD 0.000001075 0.5255 2.78422
44 2XVE FAD 0.00000861 0.50854 2.78422
45 2XVF FAD 0.000003059 0.49919 2.78422
46 5UAV TFB 0.001548 0.40251 2.79503
47 5UAV NDP 0.001548 0.40251 2.79503
48 3GF4 FAD 0.00001178 0.41949 2.82051
49 3GF4 UPG 0.00001014 0.41245 2.82051
50 1LTH NAD 0.0001117 0.41459 2.82132
51 3DMH SAM 0.004497 0.42609 2.88714
52 2Q1S NAI 0.000853 0.42059 2.91777
53 5BVA FAD 0.000000005068 0.60887 2.93399
54 3G5S FAD 0.0000000405 0.56465 3.01624
55 3IHG FAD 0.000000005726 0.55328 3.01624
56 5MBX FAD 0.0000008342 0.54089 3.01624
57 5MBX SP5 0.0000008342 0.54089 3.01624
58 5UAO FAD 0.000001201 0.51495 3.01624
59 3OND ADN 0.00059 0.43034 3.01624
60 3OND NAD 0.00059 0.43034 3.01624
61 2ZJ1 ARJ 0.001281 0.42083 3.01624
62 2ZJ1 NAD 0.001349 0.42001 3.01624
63 5MQ6 NDP 0.00003721 0.41353 3.01624
64 1M2W NAD 0.008917 0.40708 3.01624
65 2AHR NAP 0.005434 0.4007 3.0888
66 1E6E FAD 0.00000003894 0.56107 3.125
67 1NPD NAD 0.001957 0.43224 3.125
68 5M67 ADE 0.000513 0.4335 3.13152
69 5M67 NAD 0.0005286 0.43303 3.13152
70 5M67 3D1 0.000593 0.43121 3.13152
71 3GMB FAD 0.0000001014 0.53804 3.13253
72 1KNR FAD 0.00000003978 0.57027 3.24826
73 2E5V FAD 0.00000005614 0.56989 3.24826
74 2DKH FAD 0.00000002209 0.55616 3.24826
75 2DKH 3HB 0.0000002404 0.54107 3.24826
76 2RGO FAD 0.000000452 0.52814 3.24826
77 2RGH FAD 0.000004107 0.49919 3.24826
78 3WE0 FAD 0.000006364 0.49654 3.24826
79 1I8T FAD 0.000002891 0.5031 3.26975
80 3L4S NAD 0.0004602 0.40958 3.27381
81 3L4S 3PG 0.0005694 0.4093 3.27381
82 4NTC FAD 0.000000001149 0.6265 3.28358
83 2DT5 NAD 0.000359 0.44965 3.31754
84 3G2O SAM 0.004227 0.43411 3.34448
85 4J36 1HR 0.0000001605 0.55361 3.37349
86 4J36 FAD 0.00000003288 0.5496 3.37349
87 3NYC FAD 0.00000123 0.53114 3.41207
88 3NYC IAR 0.00000123 0.53114 3.41207
89 1T26 NAI 0.001496 0.41087 3.41615
90 2QA1 FAD 0.000000008212 0.59883 3.48028
91 4K5S PM0 0.0000001307 0.56403 3.48028
92 4K5S FAD 0.00000001523 0.56026 3.48028
93 5TS5 FAD 0.0000001995 0.51737 3.48028
94 3QVP FAD 0.000003144 0.50748 3.48028
95 3HDY FAD 0.000008918 0.50892 3.52645
96 3HDY GDU 0.00001017 0.50771 3.52645
97 3HDY FDA 0.000009608 0.50771 3.52645
98 4MO2 FDA 0.000001682 0.50824 3.53261
99 4MO2 FAD 0.000001756 0.5024 3.53261
100 1CF2 NAP 0.00008819 0.41803 3.56083
101 5BR7 FAD 0.000005396 0.5171 3.56234
102 5BR7 FLC 0.000005813 0.51589 3.56234
103 5JE8 NAD 0.0007584 0.44626 3.64238
104 1SOW NAD 0.0003343 0.41318 3.65854
105 3E1T FAD 0.000000007591 0.60091 3.7123
106 1YY5 FAD 0.0000001233 0.55921 3.7123
107 1RSG FAD 0.000000181 0.55021 3.7123
108 4FWE FAD 0.0000002514 0.54664 3.7123
109 4MIG G3F 0.000006288 0.50293 3.7123
110 2IID FAD 0.000000548 0.45334 3.7123
111 2IID PHE 0.000000548 0.45334 3.7123
112 3R75 PYR 0.04423 0.41156 3.7123
113 2VHW NAI 0.0003733 0.4235 3.71353
114 5L95 AMP 0.000008344 0.4201 3.75
115 3JV7 NAD 0.005405 0.40079 3.76812
116 5EVY FAD 0.00001541 0.52582 3.88128
117 1V6A TRE 0.002931 0.47478 3.91566
118 5TUK FAD 0.0000001196 0.50479 3.92157
119 4OPC PGT 0.000000686 0.58037 3.94432
120 4OPC FDA 0.0000005216 0.58032 3.94432
121 4TM3 FAD 0.000001217 0.54723 3.94432
122 4HA6 FAD 0.0000006379 0.53221 3.94432
123 3FPZ AHZ 0.007086 0.43632 3.98773
124 5O4J SAH 0.001085 0.40291 4.0146
125 5O4J 9KH 0.001085 0.40291 4.0146
126 3ZNN 4WL 0.0000005292 0.5505 4.03458
127 3ZNN FAD 0.0000005292 0.5505 4.03458
128 3WGT FAD 0.0000003843 0.54569 4.03458
129 3WGT QSC 0.0000004182 0.54569 4.03458
130 1Y8Q ATP 0.000003934 0.54606 4.04624
131 2PT9 2MH 0.001207 0.40082 4.04984
132 2IVD FAD 0.000000108 0.55417 4.17633
133 4AT0 FAD 0.000004717 0.50627 4.17633
134 4C3Y FAD 0.00000668 0.49312 4.17633
135 4C3Y ANB 0.00001226 0.49007 4.17633
136 3K7M FAD 0.0000006551 0.45296 4.17633
137 2IXB NAD 0.003303 0.40666 4.17633
138 1RYI FAD 0.000000549 0.53157 4.18848
139 1RYI GOA 0.01344 0.4044 4.18848
140 1HKU NAD 0.001499 0.41978 4.18994
141 5TUF FAD 0.00000003158 0.59298 4.40098
142 5TUF TDC 0.0000005405 0.43834 4.40098
143 2FK8 SAM 0.01417 0.40379 4.40252
144 2C7G FAD 0.0000002933 0.55883 4.40835
145 2C7G ODP 0.0000005947 0.54631 4.40835
146 5HSA FAS 0.00000223 0.51 4.40835
147 1LDN NAD 0.0004306 0.40666 4.43038
148 4ZCC NAI 0.0000006502 0.54126 4.46429
149 4ZCC FAD 0.0000006502 0.54126 4.46429
150 2JJQ SAH 0.01086 0.42538 4.47059
151 5G3U FDA 0.0000009134 0.51911 4.49173
152 5G3U ITW 0.000009903 0.49096 4.49173
153 1E3I CXF 0.001678 0.4059 4.52128
154 1GAD NAD 0.000168 0.40785 4.54545
155 3TLJ SAH 0.01344 0.40204 4.55764
156 5EZ7 FAD 0.000006142 0.49159 4.59184
157 2I7C AAT 0.0002964 0.42124 4.59364
158 2Z3Y F2N 0.0000001526 0.55438 4.64037
159 3NKS FAD 0.0000001069 0.54997 4.64037
160 3UCL NAP 0.000005308 0.5229 4.64037
161 3UCL CYH 0.000004863 0.52164 4.64037
162 3UCL FAD 0.000004863 0.52164 4.64037
163 5TTJ FAD 0.000002609 0.50466 4.64037
164 3B20 NAD 0.0001037 0.4104 4.71976
165 3B1J NAD 0.000375 0.40679 4.71976
166 1EJ4 M7G 0.01675 0.44797 4.73684
167 3L9W GSH 0.0001337 0.41524 4.84262
168 3L9W AMP 0.0002346 0.41426 4.84262
169 5AYV KPL 0.0009982 0.40602 4.85437
170 5MZI FAD 0.00000009305 0.58089 4.87239
171 5MZI FYK 0.00000009997 0.58089 4.87239
172 2ZXI FAD 0.00000007936 0.55447 4.87239
173 2GVC FAD 0.000000315 0.51629 4.87239
174 1VQW FAD 0.0000003364 0.51539 4.87239
175 4D04 FAD 0.000006572 0.51484 4.87239
176 4D04 NAP 0.000006572 0.51484 4.87239
177 2GV8 FAD 0.0000004854 0.5144 4.87239
178 4MOP 2H5 0.000007078 0.50448 4.87239
179 2YYY NAP 0.0002254 0.41102 4.95627
180 3GDH SAH 0.004451 0.41716 4.97925
181 4USR FAD 0.00000001524 0.56074 4.98615
182 1SAY PYR 0.0006257 0.40999 4.98615
183 4JNA FAD 0.000000005353 0.6046 5
184 4NTD FAD 0.000000007156 0.59283 5
185 3FZG SAM 0.02243 0.40643 5
186 3CMC NAD 0.005756 0.40616 5.08982
187 3OFK SAH 0.0006537 0.4596 5.09259
188 4Z24 FAD 0.0000009087 0.52529 5.10441
189 2VVM FAD 0.000001053 0.52004 5.10441
190 2VVL FAD 0.000001455 0.51657 5.10441
191 3GDN HBX 0.00001262 0.49419 5.10441
192 3GDN FAD 0.000007622 0.49243 5.10441
193 4DSG UDP 0.00002472 0.49141 5.10441
194 4DSG FAD 0.00002472 0.49141 5.10441
195 1OMO NAD 0.0001243 0.40174 5.2795
196 5J60 FAD 0.000000003088 0.60945 5.3125
197 1JNR FAD 0.0000001016 0.59321 5.33333
198 2BRY FAD 0.00000001642 0.55968 5.33643
199 4TXI FAD 0.00000002157 0.55052 5.33643
200 3UOY FAD 0.000004103 0.52626 5.33643
201 3UOY NAP 0.000004103 0.52626 5.33643
202 1QMG APX 0.007178 0.41114 5.33643
203 3GGO NAI 0.001342 0.41255 5.41401
204 3GGO ENO 0.001342 0.41255 5.41401
205 9LDB NAD 0.0004399 0.4061 5.42169
206 9LDT NAD 0.0004428 0.40608 5.42169
207 3WV8 ATP 0.000004943 0.42492 5.50459
208 1REO FAD 0.0000002215 0.54232 5.55556
209 4XQC 13D 0.0006444 0.42598 5.56845
210 4XQC NAD 0.0009889 0.4183 5.56845
211 1ELI PYC 0.00002218 0.47061 5.65553
212 1LSS NAD 0.000002222 0.44174 5.71429
213 1CER NAD 0.0002108 0.46568 5.74018
214 1LDM NAD 0.001446 0.42304 5.77508
215 2RGJ FAD 0.00000002553 0.55361 5.80046
216 3AXB PRO 0.0000004936 0.53471 5.80046
217 3AYI HCI 0.000001146 0.53464 5.80046
218 3AYI FAD 0.000001077 0.53446 5.80046
219 3AXB FAD 0.0000003291 0.53294 5.80046
220 4CNK FAD 0.000000006227 0.59494 5.88235
221 4YUW S4M 0.004679 0.42449 5.92105
222 4YUW 4JU 0.0048 0.42449 5.92105
223 4X9M FAD 0.000000146 0.55033 5.98086
224 2Y6Q I7T 0.0000003932 0.54397 6.03015
225 2Y6Q FAD 0.00000005962 0.53625 6.03015
226 1G55 SAH 0.01932 0.40049 6.12245
227 5I39 FAD 0.000001244 0.51441 6.12745
228 1XDS SAM 0.01337 0.4209 6.14973
229 5FJN BE2 0.0000002738 0.54824 6.2645
230 5FJN FAD 0.0000003436 0.54031 6.2645
231 2B9W FAD 0.000006289 0.50959 6.2645
232 1UWK NAD 0.0006206 0.42758 6.2645
233 1UWK URO 0.0006206 0.42758 6.2645
234 2BH9 NAP 0.009315 0.42499 6.2645
235 3ABI NAD 0.0008139 0.43272 6.30137
236 1BW9 NAD 0.0003952 0.46916 6.46067
237 5JY6 NAD 0.004214 0.40109 6.46067
238 1C1X NAD 0.0002389 0.46346 6.47887
239 3GFB NAD 0.001847 0.42437 6.57143
240 4PLG NAI 0.0009451 0.41239 6.58683
241 2AQJ FAD 0.0000005563 0.55193 6.72854
242 2AQJ TRP 0.0000006704 0.54781 6.72854
243 4RSL FAD 0.0000306 0.46135 6.74157
244 4YCA NDP 0.0001388 0.47307 6.80272
245 4YRY FAD 0.000000006185 0.60237 6.88406
246 4YRY NAD 0.00000002597 0.59513 6.88406
247 4D79 ATP 0.00001991 0.40408 6.88406
248 4REP FAD 0.0000001158 0.55222 6.96056
249 2JB2 FAD 0.000003278 0.48746 6.96056
250 2JB2 PHE 0.000003606 0.48106 6.96056
251 3OJO NAD 0.00006484 0.40524 6.96056
252 1KPG SAH 0.01399 0.40128 6.96864
253 1JQ3 AAT 0.0006613 0.42786 7.09459
254 4BJZ P3A 0.0000007896 0.55625 7.19258
255 2GMH FAD 0.00000001823 0.55 7.19258
256 4BJZ FAD 0.002224 0.45421 7.19258
257 1DLJ NAI 0.0007073 0.42936 7.21393
258 1DLJ UGA 0.002067 0.41238 7.21393
259 3QV1 NAD 0.0001616 0.40457 7.31707
260 1YKJ PHB 0.0000006136 0.55354 7.36041
261 1YKJ FAD 0.0000006136 0.55354 7.36041
262 2GMM MAN MAN 0.04249 0.40898 7.42459
263 3H8V ATP 0.000009624 0.41445 7.53425
264 1D4D FAD 0.00000001751 0.58796 7.65661
265 3VPH OXM 0.0002973 0.42385 7.74194
266 3VPH NAD 0.0004264 0.41228 7.74194
267 2NVK FAD 0.000000001376 0.62373 7.88863
268 5BUK FAD 0.00000000367 0.6139 7.88863
269 1QO8 FAD 0.000000008021 0.59835 7.88863
270 2WET FAD 0.0000001807 0.54867 7.88863
271 5EB4 FAD 0.000006253 0.49275 7.88863
272 1GTE FAD 0.0000002586 0.56546 8.12065
273 3S5W FAD 0.0000000542 0.5318 8.12065
274 1NAA ABL 0.000004527 0.5127 8.35267
275 1NAA 6FA 0.000002491 0.51109 8.35267
276 3ITJ FAD 0.00000003173 0.58637 8.57988
277 4AP3 NAP 0.000005189 0.51676 8.58469
278 4AP3 FAD 0.000005189 0.51676 8.58469
279 4GUT FAD 0.0000002404 0.55168 8.87097
280 2X3N FAD 0.00000004349 0.56358 9.02256
281 1Q9I TEO 0.00000006895 0.58332 9.04872
282 1Q9I FAD 0.00000006895 0.46781 9.04872
283 1KYQ NAD 0.00000941 0.4113 9.12409
284 2B4R AES 0.0002841 0.41197 9.27536
285 2B4R NAD 0.0004089 0.40977 9.27536
286 2VDV SAM 0.00354 0.44946 9.34959
287 4YSX FAD 0.00000004037 0.57004 9.57447
288 3H9E NAD 0.0001368 0.41144 9.82659
289 2CUL FAD 0.0000001636 0.53519 10.3448
290 3T31 DCQ 0.000000003467 0.63149 10.5263
291 3T31 FAD 0.000000002915 0.63149 10.5263
292 4U8P FDA 0.00001041 0.51091 10.9049
293 4U8P UDP 0.00001154 0.51091 10.9049
294 4MDH NAD 0.007462 0.40001 11.3772
295 1O94 ADP 0.000000002023 0.53917 11.6009
296 1DJN ADP 0.000000007052 0.51758 11.6009
297 2VYN NAD 0.0002008 0.41313 11.6766
298 1RP0 AHZ 0.0000002531 0.51418 11.9718
299 1J0X NAD 0.0007732 0.42212 12.3494
300 4J4H NAI 0.001307 0.41689 12.7413
301 4J4H 1J1 0.001307 0.41689 12.7413
302 4JK3 NAD 0.0001535 0.40709 12.7413
303 3QJ4 FAD 0.000001089 0.50943 12.8655
304 4G74 UQ5 0.0000000001311 0.6712 13.4571
305 4G74 FAD 0.00000000003379 0.66677 13.4571
306 2R4J 13P 0.000001147 0.53346 13.6891
307 2R4J FAD 0.000001147 0.53346 13.6891
308 5ODQ FAD 0.00000000673 0.60106 13.7457
309 1NVM NAD 0.00003455 0.4412 13.7821
310 2GAG NAD 0.0000000002128 0.64411 14.2857
311 3AD8 NAD 0.0000000004693 0.61473 14.2857
312 3AD8 FAD 0.00001089 0.50929 14.2857
313 3AD8 PYC 0.00001089 0.50929 14.2857
314 2GAG FAD 0.000003575 0.50811 14.2857
315 2GAG FOA 0.000003575 0.50811 14.2857
316 5N53 8NB 0.006366 0.45669 14.359
317 1PS9 FAD 0.00000000177 0.61986 14.3852
318 3QFA FAD 0.0000000006623 0.59017 15.0812
319 2HMT NAI 0.0000016 0.44989 15.9722
320 3AB1 FAD 0.000000003691 0.60671 17.7778
321 2HQM FAD 0.0000000008748 0.63258 18.0974
322 4RPL FAD 0.000004641 0.52147 18.5464
323 4RPL 3UC 0.000009883 0.51177 18.5464
324 1BZL FAD 0.00000005023 0.61994 18.5615
325 5KMS FAD 0.0000000009375 0.61713 18.7654
326 5KMS NAD 0.00000002661 0.59992 18.7654
327 1GET FAD 0.000000001808 0.65239 18.7935
328 1GET NAP 0.000000002091 0.65239 18.7935
329 1FEC FAD 0.000000003945 0.61608 19.0255
330 1ZK7 FAD 0.000000000128 0.59375 19.2575
331 5JCA FAD 0.000000008277 0.59786 19.7216
332 5JCA NDP 0.0000000378 0.59786 19.7216
333 2A8X FAD 0.0000000008775 0.63437 20.8817
334 4JDR FAD 0.0000000002505 0.61023 20.8817
335 2F5Z FAD 0.0000000002587 0.65331 21.3457
336 4M52 FAD 0.000000001012 0.63033 21.3457
337 1ZMD FAD 0.0000000002493 0.59648 21.3457
338 1ZMD NAI 0.000001735 0.55576 21.3457
339 3SQP FAD 0.000000022 0.66594 21.5777
340 2WPF FAD 0.00000002433 0.63162 21.5777
341 2WPF WPF 0.00000002927 0.63084 21.5777
342 2V6O FAD 0.000000005209 0.4524 21.5777
343 4II2 ATP 0.000004905 0.42772 21.6867
344 5U8U FAD 0.0000000005392 0.67101 22.2738
345 4USQ FAD 0.00000003724 0.55243 22.7147
346 1V59 FAD 0.0000000002686 0.6564 22.9698
347 3LAD FAD 0.0000000008076 0.63381 22.9698
348 1V59 NAD 0.000000025 0.4426 22.9698
349 1TDF FAD 0.00000001502 0.59513 23.1013
350 1TDF NAP 0.0000001138 0.5884 23.1013
351 1MO9 FAD 0.000000001975 0.66328 23.6659
352 1MO9 KPC 0.000000002249 0.66213 23.6659
353 2Q7V FAD 0.0000000003214 0.64611 24
354 3LZW NAP 0.00000004804 0.59038 24.0964
355 3LZW FAD 0.000000009551 0.58844 24.0964
356 3RNM FAD 0.0000000001963 0.65759 24.1379
357 4UP3 FAD 0.000000003264 0.60859 24.5223
358 1LVL NAD 0.0000006279 0.59795 24.594
359 1LVL FAD 0.000000001052 0.5768 24.594
360 2RAB NAD 0.000000001153 0.6598 24.826
361 2RAB FAD 0.0000000004982 0.64497 24.826
362 1VDC FAD 0.0000001656 0.55892 24.9249
363 3ICS FAD 0.000000000001051 0.72701 26.2181
364 3ICR FAD 0.000000000002149 0.71367 26.2181
365 3ICT FAD 0.0000000000132 0.6862 26.2181
366 3ICT ADP 0.0000007184 0.40771 26.2181
367 3ICS ADP 0.000001649 0.40233 26.2181
368 1FL2 FAD 0.000000001226 0.62165 26.4516
369 5JWC FAD 0.00000000001165 0.67694 26.8714
370 3NT6 FAD 0.00000000001087 0.6915 26.9142
371 3NTA FAD 0.00000000001695 0.68474 26.9142
372 2NPX FAD 0.00000000002657 0.6756 27.1462
373 2NPX NAD 0.0000000001466 0.53326 27.1462
374 5BXV MGP 0.0409 0.42055 27.2727
375 3CGB FAD 0.000000000003586 0.70592 27.7083
376 3NTD FAD 0.00000000001393 0.68772 27.8422
377 3F8D FAD 0.00000004112 0.60528 28.483
378 4J56 FAD 0.0000000009 0.63577 28.7703
379 2Q0L FAD 0.000000001797 0.61962 29.582
380 2CDU FAD 0.000000000002488 0.70538 30.6264
381 2CDU ADP 0.0000002025 0.44045 30.6264
382 3CGD FAD 0.00000000005491 0.72244 31.5545
383 3CGD NAD 0.00000000005491 0.72244 31.5545
384 3CGD COA 0.00000000005491 0.72244 31.5545
385 1YQZ FAD 0.00000000003807 0.70724 32.1918
386 5VN0 FAD 0.000000000008566 0.68337 34.5708
387 5VN0 NAI 0.00000000004228 0.53989 34.5708
388 2V3A FAD 0.0000000000005921 0.73574 35.4167
389 3GD4 NAD 0.00000000000001621 0.85462 35.4988
390 3GD4 FAD 0.000000000000003775 0.85462 35.4988
391 4BV6 FAD 5.551e-17 0.88573 35.9629
392 2V3B FAD 0.000000000002237 0.71306 36.3636
393 4HSU FAD 0.0000003535 0.54282 36.6667
394 3CTY FAD 0.0000000001794 0.66086 37.3041
395 3KLJ FAD 0.000000000001018 0.69956 39.7403
396 5JCM NAD 0.0000000000009803 0.77451 40.7982
397 5JCM FAD 0.0000000000008918 0.77451 40.7982
398 5JCM ISD 0.0000000000009803 0.77451 40.7982
399 1XHC FAD 0.0000000000002126 0.74203 47.139
400 4EMJ FAD 0.00000000000001421 0.79519 50
Pocket No.: 2; Query (leader) PDB : 1Q1R; Ligand: FAD; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 1q1r.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1X7D ORN 0.001759 0.40298 1.71429
2 2A92 NAI 0.000935 0.40088 3.42679
3 3LST SAH 0.03539 0.40306 3.73563
4 1J49 NAD 0.0003546 0.40115 4.2042
5 2D2I NAP 0.000151 0.40183 4.21053
6 1KOL NAD 0.00173 0.40055 4.52261
7 1VKO NAD 0.003859 0.40175 5.33643
8 3HAD NAD 0.003811 0.40184 5.84416
9 1BXG NAD 0.0002226 0.40259 6.46067
10 4RDI ATP 0.00002599 0.40061 6.59722
11 1RM4 NDP 0.0003506 0.40127 7.12166
12 2HJR APR 0.00009927 0.40102 11.5854
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